Detailed results of MBR242E_R3Cons_em_bcr3 by PSVS

Output from PDBStat

Constraints analysis

table of NOE constraints


# -------------- SUMMARY OF RESTRAINTS  --------------- 
# TOTAL NUMBER OF NOE RESTRAINTS            :  2384
#      INTRA-RESIDUE RESTRAINTS   (I=J)     :   570
#      SEQUENTIAL    RESTRAINTS   (I-J)=1   :   588
#          BACKBONE-BACKBONE                :       150
#          BACKBONE-SIDE CHAIN              :        56
#          SIDE CHAIN-SIDE CHAIN            :       382
#      MEDIUM RANGE  RESTRAINTS  1<(I-J)<5  :   594
#          BACKBONE-BACKBONE                :       152
#          BACKBONE-SIDE CHAIN              :       194
#          SIDE CHAIN-SIDE CHAIN            :       248
#      LONG  RANGE   RESTRAINTS   (I-J)>=5  :   632
# TOTAL HYDROGEN BOND RESTRAINTS            :     0
#      LONG RANGE H-BOND RESTR.   (I-J)>=5  :     0
# DISULFIDE RESTRAINTS                      :     0
# INTRA-CHAIN RESTRAINTS                    :  2258
# INTER-CHAIN RESTRAINTS                    :   126
# AMBIGUOUS RESTRAINTS                      :     0
# ----------------------------------------------------- 
# ----------------------------------------------------- 
# ----------------------------------------------------- 


# RES   #    INTRA  INTER   seq    med    lng   InterChain
 MET     1      0    0.0    0.0    0.0    0.0    0.0
 ALA     2      0    0.0    0.0    0.0    0.0    0.0
 GLY     3      0    0.0    0.0    0.0    0.0    0.0
 GLN     4      2    0.0    0.0    0.0    0.0    0.0
 SER     5      0    1.0    1.0    0.0    0.0    0.0
 ASP     6      1    3.5    2.5    1.0    0.0    0.0
 ARG     7      5    3.5    2.5    1.0    0.0    0.0
 LYS     8      7    2.5    1.5    1.0    0.0    0.0
 ALA     9      1    3.0    0.5    2.5    0.0    0.0
 ALA    10      1    5.5    2.0    3.5    0.0    0.0
 LEU    11      3    8.0    4.0    2.0    2.0    2.0
 LEU    12      8   16.5    4.0    3.5    9.0    9.0
 ASP    13      1    7.0    3.5    3.5    0.0    0.0
 GLN    14      3   10.5    2.5    3.0    5.0    5.0
 VAL    15      4    8.5    3.0    1.5    4.0    4.0
 ALA    16      1    7.5    3.5    2.0    2.0    2.0
 ARG    17      3    8.0    2.0    4.5    1.5    0.5
 VAL    18      5    6.5    3.5    2.5    0.5    0.0
 GLY    19      0    9.0    3.0    6.0    0.0    2.0
 LYS    20     10    9.5    3.0    6.5    0.0    3.0
 ALA    21      1    9.5    4.0    4.0    1.5    0.5
 LEU    22      8   12.0    3.5    4.0    4.5    1.5
 ALA    23      1   10.5    3.5    7.0    0.0    4.0
 ASN    24      1    2.0    1.0    1.0    0.0    0.0
 GLY    25      0    3.0    0.0    2.5    0.5    0.5
 ARG    26      1    1.5    0.0    1.5    0.0    0.0
 ARG    27      2    4.5    0.5    1.5    2.5    0.0
 LEU    28      4   17.0    1.0    7.5    8.5    5.0
 GLN    29      4   11.0    2.0    2.5    6.5    3.5
 ILE    30      5   20.0    4.0    5.5   10.5    0.0
 LEU    31      7   25.0    5.0    5.5   14.5    0.0
 ASP    32      1   10.0    4.0    2.5    3.5    2.5
 LEU    33      8   14.0    3.0    7.0    4.0    0.0
 LEU    34      7    8.5    1.5    3.5    3.5    0.0
 ALA    35      1    7.5    2.0    3.0    2.5    0.0
 GLN    36      3    6.0    3.0    3.0    0.0    0.0
 GLY    37      0    5.5    3.0    2.5    0.0    0.0
 GLU    38      2    6.0    3.5    0.0    2.5    0.0
 ARG    39      2    8.0    3.5    1.0    3.5    0.0
 ALA    40      1   13.5    5.0    4.0    4.5    0.0
 VAL    41      5   19.5    5.0    5.0    9.5    0.0
 GLU    42      3   14.0    4.5    4.0    5.5    0.0
 ALA    43      1   10.5    4.5    5.5    0.5    0.0
 ILE    44      4   19.5    5.0    7.5    7.0    0.0
 ALA    45      1   12.0    4.5    4.5    3.0    0.0
 THR    46      3    6.5    3.5    3.0    0.0    0.0
 ALA    47      1    7.0    3.5    2.5    1.0    0.0
 THR    48      2   11.5    2.5    6.0    3.0    0.0
 GLY    49      0    2.0    1.0    1.0    0.0    0.0
 MET    50      6   13.0    1.5    4.5    7.0    0.0
 ASN    51      1    6.0    3.0    3.0    0.0    0.0
 LEU    52      7   14.5    3.0    4.0    7.5    0.0
 THR    53      2    4.5    3.0    1.5    0.0    0.0
 THR    54      2    7.0    3.0    4.0    0.0    0.0
 ALA    55      1   18.0    3.0    7.0    8.0    0.0
 SER    56      1   10.0    3.5    4.5    2.0    0.0
 ALA    57      1    6.0    3.0    3.0    0.0    0.0
 ASN    58      1    8.5    2.0    4.0    2.5    0.0
 LEU    59      6   23.0    3.5    5.0   14.5    0.0
 GLN    60      4    9.0    6.0    3.0    0.0    0.0
 ALA    61      1    6.5    4.5    1.5    0.5    0.0
 LEU    62      7   12.5    2.5    2.0    8.0    0.0
 LYS    63      4   14.0    3.0    2.0    9.0    0.0
 SER    64      1    4.5    3.0    1.0    0.5    0.0
 GLY    65      0    5.5    2.0    1.0    2.5    0.0
 GLY    66      0    2.5    2.0    0.5    0.0    0.0
 LEU    67      6   12.5    5.0    1.5    6.0    0.0
 VAL    68      3   22.5    7.0    0.0   15.5    0.0
 GLU    69      3   13.0    7.0    0.0    6.0    0.0
 ALA    70      1   12.0    5.0    0.0    7.0    0.0
 ARG    71      3    5.5    3.5    0.0    2.0    0.0
 ARG    72      8    6.0    4.0    0.0    2.0    0.0
 GLU    73      2    6.0    2.0    1.5    2.5    0.0
 GLY    74      0    1.0    0.5    0.5    0.0    0.0
 THR    75      2    2.0    2.0    0.0    0.0    0.0
 ARG    76      8    8.5    4.5    3.5    0.5    0.0
 GLN    77      6   10.5    4.5    1.5    4.5    0.0
 TYR    78      1   12.0    2.0    2.0    8.0    0.0
 TYR    79      2   16.0    1.0    1.0   14.0    0.0
 ARG    80      3    7.5    1.5    0.0    6.0    0.0
 ILE    81      7   18.5    3.5    1.0   14.0    0.0
 ALA    82      0   12.0    3.5    1.5    7.0    0.0
 GLY    83      0    4.5    1.5    3.0    0.0    0.0
 GLU    84      2    5.5    1.0    4.5    0.0    0.0
 ASP    85      0    4.5    2.0    2.5    0.0    0.0
 VAL    86      3   16.0    3.5    6.0    6.5    0.0
 ALA    87      1   11.5    4.0    3.5    4.0    0.0
 ARG    88      7    9.0    2.0    6.5    0.5    1.0
 LEU    89      4    9.5    1.5    7.5    0.5    2.5
 PHE    90      2   19.5    5.0    4.0   10.5    1.5
 ALA    91      1    8.5    4.0    4.5    0.0    0.0
 LEU    92      0   11.0    2.5    8.5    0.0    3.5
 VAL    93      5    9.0    4.0    4.0    1.0    0.0
 GLN    94      3    8.5    3.0    4.5    1.0    1.0
 VAL    95      5   10.5    3.5    7.0    0.0    0.0
 VAL    96      4    7.0    4.5    2.5    0.0    0.0
 ALA    97      1   11.0    3.5    3.0    4.5    4.5
 ASP    98      2    7.5    2.5    3.0    2.0    2.0
 GLU    99      3    5.5    3.0    2.5    0.0    0.0
 HIS   100      1    3.5    2.0    1.5    0.0    0.0
 LEU   101      6    4.5    1.5    1.0    2.0    2.0
 GLU   102      1    1.5    1.5    0.0    0.0    0.0
 HIS   103      0    0.0    0.0    0.0    0.0    0.0
 HIS   104      0    0.0    0.0    0.0    0.0    0.0
 HIS   105      0    0.0    0.0    0.0    0.0    0.0
 HIS   106      0    0.0    0.0    0.0    0.0    0.0
 HIS   107      0    0.5    0.5    0.0    0.0    0.0
 HIS   108      0    0.5    0.5    0.0    0.0    0.0
 MET     1      0    0.0    0.0    0.0    0.0    0.0
 ALA     2      0    0.0    0.0    0.0    0.0    0.0
 GLY     3      0    0.0    0.0    0.0    0.0    0.0
 GLN     4      2    0.0    0.0    0.0    0.0    0.0
 SER     5      0    1.0    1.0    0.0    0.0    0.0
 ASP     6      1    3.5    2.5    1.0    0.0    0.0
 ARG     7      5    3.5    2.5    1.0    0.0    0.0
 LYS     8      7    2.5    1.5    1.0    0.0    0.0
 ALA     9      1    3.0    0.5    2.5    0.0    0.0
 ALA    10      1    5.5    2.0    3.5    0.0    0.0
 LEU    11      3    8.0    4.0    2.0    2.0    2.0
 LEU    12      8   16.5    4.0    3.5    9.0    9.0
 ASP    13      1    7.0    3.5    3.5    0.0    0.0
 GLN    14      3   10.5    2.5    3.0    5.0    5.0
 VAL    15      4    8.5    3.0    1.5    4.0    4.0
 ALA    16      1    7.5    3.5    2.0    2.0    2.0
 ARG    17      3    8.0    2.0    4.5    1.5    0.5
 VAL    18      5    6.5    3.5    2.5    0.5    0.0
 GLY    19      0    9.0    3.0    6.0    0.0    2.0
 LYS    20     10    9.5    3.0    6.5    0.0    3.0
 ALA    21      1    9.5    4.0    4.0    1.5    0.5
 LEU    22      8   12.0    3.5    4.0    4.5    1.5
 ALA    23      1   10.5    3.5    7.0    0.0    4.0
 ASN    24      1    2.0    1.0    1.0    0.0    0.0
 GLY    25      0    3.0    0.0    2.5    0.5    0.5
 ARG    26      1    1.5    0.0    1.5    0.0    0.0
 ARG    27      2    4.5    0.5    1.5    2.5    0.0
 LEU    28      4   17.0    1.0    7.5    8.5    5.0
 GLN    29      4   11.0    2.0    2.5    6.5    3.5
 ILE    30      5   20.0    4.0    5.5   10.5    0.0
 LEU    31      7   25.0    5.0    5.5   14.5    0.0
 ASP    32      1   10.0    4.0    2.5    3.5    2.5
 LEU    33      8   14.0    3.0    7.0    4.0    0.0
 LEU    34      7    8.5    1.5    3.5    3.5    0.0
 ALA    35      1    7.5    2.0    3.0    2.5    0.0
 GLN    36      3    6.0    3.0    3.0    0.0    0.0
 GLY    37      0    5.5    3.0    2.5    0.0    0.0
 GLU    38      2    6.0    3.5    0.0    2.5    0.0
 ARG    39      2    8.0    3.5    1.0    3.5    0.0
 ALA    40      1   13.5    5.0    4.0    4.5    0.0
 VAL    41      5   19.5    5.0    5.0    9.5    0.0
 GLU    42      3   14.0    4.5    4.0    5.5    0.0
 ALA    43      1   10.5    4.5    5.5    0.5    0.0
 ILE    44      4   19.5    5.0    7.5    7.0    0.0
 ALA    45      1   12.0    4.5    4.5    3.0    0.0
 THR    46      3    6.5    3.5    3.0    0.0    0.0
 ALA    47      1    7.0    3.5    2.5    1.0    0.0
 THR    48      2   11.5    2.5    6.0    3.0    0.0
 GLY    49      0    2.0    1.0    1.0    0.0    0.0
 MET    50      6   13.0    1.5    4.5    7.0    0.0
 ASN    51      1    6.0    3.0    3.0    0.0    0.0
 LEU    52      7   14.5    3.0    4.0    7.5    0.0
 THR    53      2    4.5    3.0    1.5    0.0    0.0
 THR    54      2    7.0    3.0    4.0    0.0    0.0
 ALA    55      1   18.0    3.0    7.0    8.0    0.0
 SER    56      1   10.0    3.5    4.5    2.0    0.0
 ALA    57      1    6.0    3.0    3.0    0.0    0.0
 ASN    58      1    8.5    2.0    4.0    2.5    0.0
 LEU    59      6   23.0    3.5    5.0   14.5    0.0
 GLN    60      4    9.0    6.0    3.0    0.0    0.0
 ALA    61      1    6.5    4.5    1.5    0.5    0.0
 LEU    62      7   12.5    2.5    2.0    8.0    0.0
 LYS    63      4   14.0    3.0    2.0    9.0    0.0
 SER    64      1    4.5    3.0    1.0    0.5    0.0
 GLY    65      0    5.5    2.0    1.0    2.5    0.0
 GLY    66      0    2.5    2.0    0.5    0.0    0.0
 LEU    67      6   12.5    5.0    1.5    6.0    0.0
 VAL    68      3   22.5    7.0    0.0   15.5    0.0
 GLU    69      3   13.0    7.0    0.0    6.0    0.0
 ALA    70      1   12.0    5.0    0.0    7.0    0.0
 ARG    71      3    5.5    3.5    0.0    2.0    0.0
 ARG    72      8    6.0    4.0    0.0    2.0    0.0
 GLU    73      2    6.0    2.0    1.5    2.5    0.0
 GLY    74      0    1.0    0.5    0.5    0.0    0.0
 THR    75      2    2.0    2.0    0.0    0.0    0.0
 ARG    76      8    8.5    4.5    3.5    0.5    0.0
 GLN    77      6   10.5    4.5    1.5    4.5    0.0
 TYR    78      1   12.0    2.0    2.0    8.0    0.0
 TYR    79      2   16.0    1.0    1.0   14.0    0.0
 ARG    80      3    7.5    1.5    0.0    6.0    0.0
 ILE    81      7   18.5    3.5    1.0   14.0    0.0
 ALA    82      0   12.0    3.5    1.5    7.0    0.0
 GLY    83      0    4.5    1.5    3.0    0.0    0.0
 GLU    84      2    5.5    1.0    4.5    0.0    0.0
 ASP    85      0    4.5    2.0    2.5    0.0    0.0
 VAL    86      3   16.0    3.5    6.0    6.5    0.0
 ALA    87      1   11.5    4.0    3.5    4.0    0.0
 ARG    88      7    9.0    2.0    6.5    0.5    1.0
 LEU    89      4    9.5    1.5    7.5    0.5    2.5
 PHE    90      2   19.5    5.0    4.0   10.5    1.5
 ALA    91      1    8.5    4.0    4.5    0.0    0.0
 LEU    92      0   11.0    2.5    8.5    0.0    3.5
 VAL    93      5    9.0    4.0    4.0    1.0    0.0
 GLN    94      3    8.5    3.0    4.5    1.0    1.0
 VAL    95      5   10.5    3.5    7.0    0.0    0.0
 VAL    96      4    7.0    4.5    2.5    0.0    0.0
 ALA    97      1   11.0    3.5    3.0    4.5    4.5
 ASP    98      2    7.5    2.5    3.0    2.0    2.0
 GLU    99      3    5.5    3.0    2.5    0.0    0.0
 HIS   100      1    3.5    2.0    1.5    0.0    0.0
 LEU   101      6    4.5    1.5    1.0    2.0    2.0
 GLU   102      1    1.5    1.5    0.0    0.0    0.0
 HIS   103      0    0.0    0.0    0.0    0.0    0.0
 HIS   104      0    0.0    0.0    0.0    0.0    0.0
 HIS   105      0    0.0    0.0    0.0    0.0    0.0
 HIS   106      0    0.0    0.0    0.0    0.0    0.0
 HIS   107      0    0.5    0.5    0.0    0.0    0.0
 HIS   108      0    0.5    0.5    0.0    0.0    0.0
# TOTAL        570 1814.0  588.0  594.0  632.0  126.0

# TOTAL NUMBER OF RESTRAINTS  (CHECKING): 2384.0 

List of conformationally-resticting NOE constraints

 assign ((segid  A and resid  11 and name HD*  ))   ((segid  B and resid  98 and name HA   ))    1.80  0.00  2.89
 assign ((segid  A and resid  11 and name HD*  ))   ((segid  B and resid  98 and name HB1  ))    1.80  0.00  4.22
 assign ((segid  A and resid  11 and name HD*  ))   ((segid  B and resid  98 and name HB2  ))    1.80  0.00  4.22
 assign ((segid  A and resid  11 and name HD*  ))   ((segid  B and resid  98 and name HN   ))    1.80  0.00  2.59
 assign ((segid  A and resid  12 and name HB*  ))   ((segid  B and resid  28 and name HB*  ))    1.80  0.00  3.40
 assign ((segid  A and resid  12 and name HD1* ))   ((segid  B and resid  29 and name HA   ))    1.80  0.00  2.17
 assign ((segid  A and resid  12 and name HD1* ))   ((segid  B and resid  29 and name HB*  ))    1.80  0.00  2.63
 assign ((segid  A and resid  12 and name HD1* ))   ((segid  B and resid  29 and name HE2* ))    1.80  0.00  2.97
 assign ((segid  A and resid  12 and name HD1* ))   ((segid  B and resid  29 and name HG*  ))    1.80  0.00  1.68
 assign ((segid  A and resid  12 and name HD1* ))   ((segid  B and resid  29 and name HN   ))    1.80  0.00  3.17
 assign ((segid  A and resid  12 and name HD1* ))   ((segid  B and resid  32 and name HB*  ))    1.80  0.00  2.59
 assign ((segid  A and resid  12 and name HD1* ))   ((segid  B and resid  32 and name HN   ))    1.80  0.00  4.25
 assign ((segid  A and resid  12 and name HD2* ))   ((segid  B and resid  28 and name HB*  ))    1.80  0.00  1.70
 assign ((segid  A and resid  12 and name HD2* ))   ((segid  B and resid  28 and name HN   ))    1.80  0.00  3.91
 assign ((segid  A and resid  12 and name HD2* ))   ((segid  B and resid  29 and name HN   ))    1.80  0.00  3.17
 assign ((segid  A and resid  12 and name HD2* ))   ((segid  B and resid  32 and name HA   ))    1.80  0.00  4.29
 assign ((segid  A and resid  12 and name HD2* ))   ((segid  B and resid  32 and name HB*  ))    1.80  0.00  3.03
 assign ((segid  A and resid  12 and name HD2* ))   ((segid  B and resid  32 and name HN   ))    1.80  0.00  4.25
 assign ((segid  A and resid  12 and name HD2* ))   ((segid  B and resid  90 and name HD*  ))    1.80  0.00  3.20
 assign ((segid  A and resid  12 and name HD2* ))   ((segid  B and resid  90 and name HE*  ))    1.80  0.00  2.71
 assign ((segid  A and resid  12 and name HD2* ))   ((segid  B and resid  90 and name HZ   ))    1.80  0.00  2.47
 assign ((segid  A and resid  12 and name HG   ))   ((segid  B and resid  29 and name HG*  ))    1.80  0.00  3.55
 assign ((segid  A and resid  14 and name HB*  ))   ((segid  B and resid  97 and name HA   ))    1.80  0.00  4.25
 assign ((segid  A and resid  14 and name HB*  ))   ((segid  B and resid  97 and name HB*  ))    1.80  0.00  2.71
 assign ((segid  A and resid  14 and name HB*  ))   ((segid  B and resid 101 and name HD1* ))    1.80  0.00  3.24
 assign ((segid  A and resid  14 and name HB*  ))   ((segid  B and resid 101 and name HD2* ))    1.80  0.00  3.01
 assign ((segid  A and resid  14 and name HG*  ))   ((segid  B and resid 101 and name HD1* ))    1.80  0.00  2.82
 assign ((segid  A and resid  14 and name HG*  ))   ((segid  B and resid 101 and name HD2* ))    1.80  0.00  3.60
 assign ((segid  A and resid  14 and name HG1  ))   ((segid  B and resid  97 and name HA   ))    1.80  0.00  4.25
 assign ((segid  A and resid  14 and name HG2  ))   ((segid  B and resid  97 and name HA   ))    1.80  0.00  4.25
 assign ((segid  A and resid  14 and name HG1  ))   ((segid  B and resid  97 and name HB*  ))    1.80  0.00  2.94
 assign ((segid  A and resid  14 and name HG2  ))   ((segid  B and resid  97 and name HB*  ))    1.80  0.00  2.94
 assign ((segid  A and resid  15 and name HA   ))   ((segid  B and resid  97 and name HB*  ))    1.80  0.00  2.20
 assign ((segid  A and resid  15 and name HB   ))   ((segid  B and resid  28 and name HD1* ))    1.80  0.00  2.50
 assign ((segid  A and resid  15 and name HG1* ))   ((segid  B and resid  28 and name HD1* ))    1.80  0.00  2.50
 assign ((segid  A and resid  15 and name HG*  ))   ((segid  B and resid  97 and name HB*  ))    1.80  0.00  2.57
 assign ((segid  A and resid  15 and name HG1* ))   ((segid  B and resid  94 and name HA   ))    1.80  0.00  2.59
 assign ((segid  A and resid  15 and name HG2* ))   ((segid  B and resid  94 and name HA   ))    1.80  0.00  3.59
 assign ((segid  A and resid  15 and name HN   ))   ((segid  B and resid  28 and name HD*  ))    1.80  0.00  4.18
 assign ((segid  A and resid  15 and name HN   ))   ((segid  B and resid  97 and name HB*  ))    1.80  0.00  3.07
 assign ((segid  A and resid  16 and name HA   ))   ((segid  B and resid  28 and name HD1* ))    1.80  0.00  2.58
 assign ((segid  A and resid  16 and name HB*  ))   ((segid  B and resid  25 and name HA*  ))    1.80  0.00  2.50
 assign ((segid  A and resid  16 and name HB*  ))   ((segid  B and resid  28 and name HD1* ))    1.80  0.00  2.24
 assign ((segid  A and resid  16 and name HN   ))   ((segid  B and resid  28 and name HD1* ))    1.80  0.00  2.24
 assign ((segid  A and resid  17 and name HN   ))   ((segid  B and resid  28 and name HD1* ))    1.80  0.00  6.17
 assign ((segid  A and resid  19 and name HA*  ))   ((segid  B and resid  22 and name HB1  ))    1.80  0.00  4.25
 assign ((segid  A and resid  19 and name HA*  ))   ((segid  B and resid  22 and name HB2  ))    1.80  0.00  4.25
 assign ((segid  A and resid  19 and name HA*  ))   ((segid  B and resid  22 and name HD1* ))    1.80  0.00  4.25
 assign ((segid  A and resid  19 and name HA*  ))   ((segid  B and resid  23 and name HB*  ))    1.80  0.00  2.61
 assign ((segid  A and resid  20 and name HA   ))   ((segid  B and resid  23 and name HB*  ))    1.80  0.00  1.42
 assign ((segid  A and resid  20 and name HB*  ))   ((segid  B and resid  23 and name HB*  ))    1.80  0.00  2.04
 assign ((segid  A and resid  20 and name HG1  ))   ((segid  B and resid  23 and name HB*  ))    1.80  0.00  2.74
 assign ((segid  A and resid  20 and name HG2  ))   ((segid  B and resid  23 and name HB*  ))    1.80  0.00  2.74
 assign ((segid  A and resid  20 and name HE*  ))   ((segid  B and resid  23 and name HB*  ))    1.80  0.00  4.01
 assign ((segid  A and resid  20 and name HN   ))   ((segid  B and resid  23 and name HB*  ))    1.80  0.00  2.16
 assign ((segid  A and resid  21 and name HN   ))   ((segid  B and resid  23 and name HB*  ))    1.80  0.00  4.25
 assign ((segid  A and resid  88 and name HB*  ))   ((segid  B and resid  92 and name HD1* ))    1.80  0.00  2.60
 assign ((segid  A and resid  88 and name HB*  ))   ((segid  B and resid  92 and name HD2* ))    1.80  0.00  2.60
 assign ((segid  A and resid  89 and name HA   ))   ((segid  B and resid  92 and name HD2* ))    1.80  0.00  1.81
 assign ((segid  A and resid  89 and name HB*  ))   ((segid  B and resid  92 and name HD1* ))    1.80  0.00  2.60
 assign ((segid  A and resid  89 and name HB*  ))   ((segid  B and resid  92 and name HD2* ))    1.80  0.00  2.10
 assign ((segid  A and resid  89 and name HN   ))   ((segid  B and resid  92 and name HD1* ))    1.80  0.00  3.63
 assign ((segid  A and resid  89 and name HN   ))   ((segid  B and resid  92 and name HD2* ))    1.80  0.00  2.63
 assign ((segid  B and resid  11 and name HD*  ))   ((segid  A and resid  98 and name HA   ))    1.80  0.00  2.89
 assign ((segid  B and resid  11 and name HD*  ))   ((segid  A and resid  98 and name HB1  ))    1.80  0.00  4.22
 assign ((segid  B and resid  11 and name HD*  ))   ((segid  A and resid  98 and name HB2  ))    1.80  0.00  4.22
 assign ((segid  B and resid  11 and name HD*  ))   ((segid  A and resid  98 and name HN   ))    1.80  0.00  2.59
 assign ((segid  B and resid  12 and name HB*  ))   ((segid  A and resid  28 and name HB*  ))    1.80  0.00  3.40
 assign ((segid  B and resid  12 and name HD1* ))   ((segid  A and resid  29 and name HA   ))    1.80  0.00  2.17
 assign ((segid  B and resid  12 and name HD1* ))   ((segid  A and resid  29 and name HB*  ))    1.80  0.00  2.63
 assign ((segid  B and resid  12 and name HD1* ))   ((segid  A and resid  29 and name HE2* ))    1.80  0.00  2.97
 assign ((segid  B and resid  12 and name HD1* ))   ((segid  A and resid  29 and name HG*  ))    1.80  0.00  1.68
 assign ((segid  B and resid  12 and name HD1* ))   ((segid  A and resid  29 and name HN   ))    1.80  0.00  3.17
 assign ((segid  B and resid  12 and name HD1* ))   ((segid  A and resid  32 and name HB*  ))    1.80  0.00  2.59
 assign ((segid  B and resid  12 and name HD1* ))   ((segid  A and resid  32 and name HN   ))    1.80  0.00  4.25
 assign ((segid  B and resid  12 and name HD2* ))   ((segid  A and resid  28 and name HB*  ))    1.80  0.00  1.70
 assign ((segid  B and resid  12 and name HD2* ))   ((segid  A and resid  28 and name HN   ))    1.80  0.00  3.91
 assign ((segid  B and resid  12 and name HD2* ))   ((segid  A and resid  29 and name HN   ))    1.80  0.00  3.17
 assign ((segid  B and resid  12 and name HD2* ))   ((segid  A and resid  32 and name HA   ))    1.80  0.00  4.29
 assign ((segid  B and resid  12 and name HD2* ))   ((segid  A and resid  32 and name HB*  ))    1.80  0.00  3.03
 assign ((segid  B and resid  12 and name HD2* ))   ((segid  A and resid  32 and name HN   ))    1.80  0.00  4.25
 assign ((segid  B and resid  12 and name HD2* ))   ((segid  A and resid  90 and name HD*  ))    1.80  0.00  3.20
 assign ((segid  B and resid  12 and name HD2* ))   ((segid  A and resid  90 and name HE*  ))    1.80  0.00  2.71
 assign ((segid  B and resid  12 and name HD2* ))   ((segid  A and resid  90 and name HZ   ))    1.80  0.00  2.47
 assign ((segid  B and resid  12 and name HG   ))   ((segid  A and resid  29 and name HG*  ))    1.80  0.00  3.55
 assign ((segid  B and resid  14 and name HB*  ))   ((segid  A and resid  97 and name HA   ))    1.80  0.00  4.25
 assign ((segid  B and resid  14 and name HB*  ))   ((segid  A and resid  97 and name HB*  ))    1.80  0.00  2.71
 assign ((segid  B and resid  14 and name HB*  ))   ((segid  A and resid 101 and name HD1* ))    1.80  0.00  3.24
 assign ((segid  B and resid  14 and name HB*  ))   ((segid  A and resid 101 and name HD2* ))    1.80  0.00  3.01
 assign ((segid  B and resid  14 and name HG*  ))   ((segid  A and resid 101 and name HD1* ))    1.80  0.00  2.82
 assign ((segid  B and resid  14 and name HG*  ))   ((segid  A and resid 101 and name HD2* ))    1.80  0.00  3.60
 assign ((segid  B and resid  14 and name HG1  ))   ((segid  A and resid  97 and name HA   ))    1.80  0.00  4.25
 assign ((segid  B and resid  14 and name HG2  ))   ((segid  A and resid  97 and name HA   ))    1.80  0.00  4.25
 assign ((segid  B and resid  14 and name HG1  ))   ((segid  A and resid  97 and name HB*  ))    1.80  0.00  2.94
 assign ((segid  B and resid  14 and name HG2  ))   ((segid  A and resid  97 and name HB*  ))    1.80  0.00  2.94
 assign ((segid  B and resid  15 and name HA   ))   ((segid  A and resid  97 and name HB*  ))    1.80  0.00  2.20
 assign ((segid  B and resid  15 and name HB   ))   ((segid  A and resid  28 and name HD1* ))    1.80  0.00  2.50
 assign ((segid  B and resid  15 and name HG1* ))   ((segid  A and resid  28 and name HD1* ))    1.80  0.00  2.50
 assign ((segid  B and resid  15 and name HG*  ))   ((segid  A and resid  97 and name HB*  ))    1.80  0.00  2.57
 assign ((segid  B and resid  15 and name HG1* ))   ((segid  A and resid  94 and name HA   ))    1.80  0.00  2.59
 assign ((segid  B and resid  15 and name HG2* ))   ((segid  A and resid  94 and name HA   ))    1.80  0.00  3.59
 assign ((segid  B and resid  15 and name HN   ))   ((segid  A and resid  28 and name HD*  ))    1.80  0.00  4.18
 assign ((segid  B and resid  15 and name HN   ))   ((segid  A and resid  97 and name HB*  ))    1.80  0.00  3.07
 assign ((segid  B and resid  16 and name HA   ))   ((segid  A and resid  28 and name HD1* ))    1.80  0.00  2.58
 assign ((segid  B and resid  16 and name HB*  ))   ((segid  A and resid  25 and name HA*  ))    1.80  0.00  2.50
 assign ((segid  B and resid  16 and name HB*  ))   ((segid  A and resid  28 and name HD1* ))    1.80  0.00  2.24
 assign ((segid  B and resid  16 and name HN   ))   ((segid  A and resid  28 and name HD1* ))    1.80  0.00  2.24
 assign ((segid  B and resid  17 and name HN   ))   ((segid  A and resid  28 and name HD1* ))    1.80  0.00  6.17
 assign ((segid  B and resid  19 and name HA*  ))   ((segid  A and resid  22 and name HB1  ))    1.80  0.00  4.25
 assign ((segid  B and resid  19 and name HA*  ))   ((segid  A and resid  22 and name HB2  ))    1.80  0.00  4.25
 assign ((segid  B and resid  19 and name HA*  ))   ((segid  A and resid  22 and name HD1* ))    1.80  0.00  4.25
 assign ((segid  B and resid  19 and name HA*  ))   ((segid  A and resid  23 and name HB*  ))    1.80  0.00  2.61
 assign ((segid  B and resid  20 and name HA   ))   ((segid  A and resid  23 and name HB*  ))    1.80  0.00  1.42
 assign ((segid  B and resid  20 and name HB*  ))   ((segid  A and resid  23 and name HB*  ))    1.80  0.00  2.04
 assign ((segid  B and resid  20 and name HG1  ))   ((segid  A and resid  23 and name HB*  ))    1.80  0.00  2.74
 assign ((segid  B and resid  20 and name HG2  ))   ((segid  A and resid  23 and name HB*  ))    1.80  0.00  2.74
 assign ((segid  B and resid  20 and name HE*  ))   ((segid  A and resid  23 and name HB*  ))    1.80  0.00  4.01
 assign ((segid  B and resid  20 and name HN   ))   ((segid  A and resid  23 and name HB*  ))    1.80  0.00  2.16
 assign ((segid  B and resid  21 and name HN   ))   ((segid  A and resid  23 and name HB*  ))    1.80  0.00  4.25
 assign ((segid  B and resid  88 and name HB*  ))   ((segid  A and resid  92 and name HD1* ))    1.80  0.00  2.60
 assign ((segid  B and resid  88 and name HB*  ))   ((segid  A and resid  92 and name HD2* ))    1.80  0.00  2.60
 assign ((segid  B and resid  89 and name HA   ))   ((segid  A and resid  92 and name HD2* ))    1.80  0.00  1.81
 assign ((segid  B and resid  89 and name HB*  ))   ((segid  A and resid  92 and name HD1* ))    1.80  0.00  2.60
 assign ((segid  B and resid  89 and name HB*  ))   ((segid  A and resid  92 and name HD2* ))    1.80  0.00  2.10
 assign ((segid  B and resid  89 and name HN   ))   ((segid  A and resid  92 and name HD1* ))    1.80  0.00  3.63
 assign ((segid  B and resid  89 and name HN   ))   ((segid  A and resid  92 and name HD2* ))    1.80  0.00  2.63
 assign ((segid  A and resid   4 and name HA   ))   ((segid  A and resid   4 and name HG*  ))    1.80  0.00  2.02
 assign ((segid  A and resid   4 and name HN   ))   ((segid  A and resid   4 and name HG*  ))    1.80  0.00  2.88
 assign ((segid  A and resid   5 and name HA   ))   ((segid  A and resid   6 and name HN   ))    1.80  0.00  2.08
 assign ((segid  A and resid   5 and name HB*  ))   ((segid  A and resid   6 and name HN   ))    1.80  0.00  2.52
 assign ((segid  A and resid   6 and name HA   ))   ((segid  A and resid   7 and name HN   ))    1.80  0.00  2.07
 assign ((segid  A and resid   6 and name HA   ))   ((segid  A and resid   9 and name HB*  ))    1.80  0.00  2.91
 assign ((segid  A and resid   6 and name HB*  ))   ((segid  A and resid   7 and name HA   ))    1.80  0.00  3.73
 assign ((segid  A and resid   6 and name HB*  ))   ((segid  A and resid   7 and name HN   ))    1.80  0.00  2.47
 assign ((segid  A and resid   6 and name HB*  ))   ((segid  A and resid   9 and name HB*  ))    1.80  0.00  2.63
 assign ((segid  A and resid   6 and name HN   ))   ((segid  A and resid   6 and name HB*  ))    1.80  0.00  1.84
 assign ((segid  A and resid   7 and name HA   ))   ((segid  A and resid   7 and name HG*  ))    1.80  0.00  1.91
 assign ((segid  A and resid   7 and name HA   ))   ((segid  A and resid  10 and name HB*  ))    1.80  0.00  2.97
 assign ((segid  A and resid   7 and name HA   ))   ((segid  A and resid  10 and name HN   ))    1.80  0.00  2.90
 assign ((segid  A and resid   7 and name HB*  ))   ((segid  A and resid   7 and name HD*  ))    1.80  0.00  1.85
 assign ((segid  A and resid   7 and name HB*  ))   ((segid  A and resid   8 and name HN   ))    1.80  0.00  1.92
 assign ((segid  A and resid   7 and name HN   ))   ((segid  A and resid   7 and name HB*  ))    1.80  0.00  1.87
 assign ((segid  A and resid   7 and name HN   ))   ((segid  A and resid   7 and name HD*  ))    1.80  0.00  3.28
 assign ((segid  A and resid   7 and name HN   ))   ((segid  A and resid   7 and name HG*  ))    1.80  0.00  2.56
 assign ((segid  A and resid   7 and name HN   ))   ((segid  A and resid   8 and name HN   ))    1.80  0.00  2.17
 assign ((segid  A and resid   8 and name HA   ))   ((segid  A and resid   8 and name HD*  ))    1.80  0.00  2.43
 assign ((segid  A and resid   8 and name HA   ))   ((segid  A and resid   8 and name HG*  ))    1.80  0.00  1.94
 assign ((segid  A and resid   8 and name HA   ))   ((segid  A and resid  11 and name HD*  ))    1.80  0.00  2.25
 assign ((segid  A and resid   8 and name HB*  ))   ((segid  A and resid   8 and name HE*  ))    1.80  0.00  2.63
 assign ((segid  A and resid   8 and name HB*  ))   ((segid  A and resid   9 and name HN   ))    1.80  0.00  1.81
 assign ((segid  A and resid   8 and name HE*  ))   ((segid  A and resid  12 and name HD1* ))    1.80  0.00  2.69
 assign ((segid  A and resid   8 and name HG*  ))   ((segid  A and resid   8 and name HE*  ))    1.80  0.00  1.90
 assign ((segid  A and resid   8 and name HN   ))   ((segid  A and resid   8 and name HB*  ))    1.80  0.00  1.73
 assign ((segid  A and resid   8 and name HN   ))   ((segid  A and resid   8 and name HD*  ))    1.80  0.00  3.11
 assign ((segid  A and resid   8 and name HN   ))   ((segid  A and resid   8 and name HG*  ))    1.80  0.00  2.26
 assign ((segid  A and resid   9 and name HA   ))   ((segid  A and resid  12 and name HD1* ))    1.80  0.00  3.00
 assign ((segid  A and resid   9 and name HA   ))   ((segid  A and resid  12 and name HN   ))    1.80  0.00  2.96
 assign ((segid  A and resid   9 and name HB*  ))   ((segid  A and resid  12 and name HD1* ))    1.80  0.00  3.46
 assign ((segid  A and resid   9 and name HN   ))   ((segid  A and resid   9 and name HB*  ))    1.80  0.00  1.32
 assign ((segid  A and resid  10 and name HA   ))   ((segid  A and resid  13 and name HB*  ))    1.80  0.00  2.10
 assign ((segid  A and resid  10 and name HA   ))   ((segid  A and resid  13 and name HN   ))    1.80  0.00  2.49
 assign ((segid  A and resid  10 and name HB*  ))   ((segid  A and resid  11 and name HA   ))    1.80  0.00  3.39
 assign ((segid  A and resid  10 and name HB*  ))   ((segid  A and resid  11 and name HN   ))    1.80  0.00  1.94
 assign ((segid  A and resid  10 and name HB*  ))   ((segid  A and resid  13 and name HB*  ))    1.80  0.00  2.94
 assign ((segid  A and resid  10 and name HB*  ))   ((segid  A and resid  14 and name HN   ))    1.80  0.00  3.98
 assign ((segid  A and resid  10 and name HN   ))   ((segid  A and resid  10 and name HB*  ))    1.80  0.00  1.19
 assign ((segid  A and resid  10 and name HN   ))   ((segid  A and resid  11 and name HD*  ))    1.80  0.00  3.95
 assign ((segid  A and resid  10 and name HN   ))   ((segid  A and resid  11 and name HN   ))    1.80  0.00  2.03
 assign ((segid  A and resid  10 and name HN   ))   ((segid  A and resid  12 and name HN   ))    1.80  0.00  3.68
 assign ((segid  A and resid  11 and name HA   ))   ((segid  A and resid  11 and name HD*  ))    1.80  0.00  1.85
 assign ((segid  A and resid  11 and name HA   ))   ((segid  A and resid  13 and name HN   ))    1.80  0.00  2.88
 assign ((segid  A and resid  11 and name HA   ))   ((segid  A and resid  14 and name HG*  ))    1.80  0.00  3.57
 assign ((segid  A and resid  11 and name HA   ))   ((segid  A and resid  14 and name HN   ))    1.80  0.00  2.81
 assign ((segid  A and resid  11 and name HB*  ))   ((segid  A and resid  12 and name HN   ))    1.80  0.00  2.49
 assign ((segid  A and resid  11 and name HD*  ))   ((segid  A and resid  12 and name HN   ))    1.80  0.00  2.92
 assign ((segid  A and resid  11 and name HN   ))   ((segid  A and resid  11 and name HB*  ))    1.80  0.00  1.76
 assign ((segid  A and resid  11 and name HN   ))   ((segid  A and resid  11 and name HD*  ))    1.80  0.00  2.57
 assign ((segid  A and resid  11 and name HN   ))   ((segid  A and resid  12 and name HG   ))    1.80  0.00  4.25
 assign ((segid  A and resid  11 and name HN   ))   ((segid  A and resid  12 and name HN   ))    1.80  0.00  2.35
 assign ((segid  A and resid  12 and name HA   ))   ((segid  A and resid  12 and name HD1* ))    1.80  0.00  2.55
 assign ((segid  A and resid  12 and name HA   ))   ((segid  A and resid  12 and name HD2* ))    1.80  0.00  1.59
 assign ((segid  A and resid  12 and name HA   ))   ((segid  A and resid  14 and name HN   ))    1.80  0.00  3.74
 assign ((segid  A and resid  12 and name HA   ))   ((segid  A and resid  15 and name HB   ))    1.80  0.00  3.36
 assign ((segid  A and resid  12 and name HB*  ))   ((segid  A and resid  12 and name HD1* ))    1.80  0.00  1.51
 assign ((segid  A and resid  12 and name HB*  ))   ((segid  A and resid  12 and name HD2* ))    1.80  0.00  1.52
 assign ((segid  A and resid  12 and name HB*  ))   ((segid  A and resid  13 and name HN   ))    1.80  0.00  2.19
 assign ((segid  A and resid  12 and name HD1* ))   ((segid  A and resid  13 and name HN   ))    1.80  0.00  3.80
 assign ((segid  A and resid  12 and name HD2* ))   ((segid  A and resid  13 and name HN   ))    1.80  0.00  3.45
 assign ((segid  A and resid  12 and name HN   ))   ((segid  A and resid  12 and name HB*  ))    1.80  0.00  2.08
 assign ((segid  A and resid  12 and name HN   ))   ((segid  A and resid  12 and name HD1* ))    1.80  0.00  2.34
 assign ((segid  A and resid  12 and name HN   ))   ((segid  A and resid  12 and name HD2* ))    1.80  0.00  2.56
 assign ((segid  A and resid  12 and name HN   ))   ((segid  A and resid  12 and name HG   ))    1.80  0.00  1.90
 assign ((segid  A and resid  12 and name HN   ))   ((segid  A and resid  13 and name HN   ))    1.80  0.00  2.06
 assign ((segid  A and resid  13 and name HA   ))   ((segid  A and resid  16 and name HB*  ))    1.80  0.00  2.09
 assign ((segid  A and resid  13 and name HA   ))   ((segid  A and resid  16 and name HN   ))    1.80  0.00  2.59
 assign ((segid  A and resid  13 and name HB*  ))   ((segid  A and resid  16 and name HB*  ))    1.80  0.00  3.60
 assign ((segid  A and resid  13 and name HB1  ))   ((segid  A and resid  14 and name HN   ))    1.80  0.00  2.86
 assign ((segid  A and resid  13 and name HB2  ))   ((segid  A and resid  14 and name HN   ))    1.80  0.00  2.86
 assign ((segid  A and resid  13 and name HN   ))   ((segid  A and resid  13 and name HB*  ))    1.80  0.00  1.53
 assign ((segid  A and resid  13 and name HN   ))   ((segid  A and resid  14 and name HN   ))    1.80  0.00  2.04
 assign ((segid  A and resid  14 and name HA   ))   ((segid  A and resid  17 and name HD*  ))    1.80  0.00  2.81
 assign ((segid  A and resid  14 and name HA   ))   ((segid  A and resid  17 and name HN   ))    1.80  0.00  3.44
 assign ((segid  A and resid  14 and name HB*  ))   ((segid  A and resid  14 and name HE21 ))    1.80  0.00  3.82
 assign ((segid  A and resid  14 and name HB*  ))   ((segid  A and resid  15 and name HN   ))    1.80  0.00  2.81
 assign ((segid  A and resid  14 and name HN   ))   ((segid  A and resid  14 and name HG1  ))    1.80  0.00  3.25
 assign ((segid  A and resid  14 and name HN   ))   ((segid  A and resid  14 and name HG2  ))    1.80  0.00  3.25
 assign ((segid  A and resid  14 and name HN   ))   ((segid  A and resid  15 and name HN   ))    1.80  0.00  2.51
 assign ((segid  A and resid  15 and name HA   ))   ((segid  A and resid  15 and name HG1* ))    1.80  0.00  1.90
 assign ((segid  A and resid  15 and name HA   ))   ((segid  A and resid  15 and name HG2* ))    1.80  0.00  1.87
 assign ((segid  A and resid  15 and name HA   ))   ((segid  A and resid  18 and name HB   ))    1.80  0.00  3.40
 assign ((segid  A and resid  15 and name HA   ))   ((segid  A and resid  18 and name HN   ))    1.80  0.00  3.27
 assign ((segid  A and resid  15 and name HB   ))   ((segid  A and resid  16 and name HB*  ))    1.80  0.00  3.79
 assign ((segid  A and resid  15 and name HB   ))   ((segid  A and resid  16 and name HN   ))    1.80  0.00  2.80
 assign ((segid  A and resid  15 and name HG1* ))   ((segid  A and resid  16 and name HN   ))    1.80  0.00  2.72
 assign ((segid  A and resid  15 and name HN   ))   ((segid  A and resid  15 and name HG1* ))    1.80  0.00  2.15
 assign ((segid  A and resid  15 and name HN   ))   ((segid  A and resid  15 and name HG2* ))    1.80  0.00  1.87
 assign ((segid  A and resid  15 and name HN   ))   ((segid  A and resid  16 and name HN   ))    1.80  0.00  2.80
 assign ((segid  A and resid  16 and name HA   ))   ((segid  A and resid  19 and name HN   ))    1.80  0.00  3.46
 assign ((segid  A and resid  16 and name HB*  ))   ((segid  A and resid  17 and name HA   ))    1.80  0.00  3.60
 assign ((segid  A and resid  16 and name HB*  ))   ((segid  A and resid  17 and name HN   ))    1.80  0.00  2.03
 assign ((segid  A and resid  16 and name HN   ))   ((segid  A and resid  16 and name HB*  ))    1.80  0.00  1.60
 assign ((segid  A and resid  16 and name HN   ))   ((segid  A and resid  17 and name HN   ))    1.80  0.00  2.48
 assign ((segid  A and resid  17 and name HA   ))   ((segid  A and resid  17 and name HD*  ))    1.80  0.00  3.06
 assign ((segid  A and resid  17 and name HA   ))   ((segid  A and resid  20 and name HB*  ))    1.80  0.00  2.74
 assign ((segid  A and resid  17 and name HA   ))   ((segid  A and resid  20 and name HD*  ))    1.80  0.00  2.63
 assign ((segid  A and resid  17 and name HA   ))   ((segid  A and resid  20 and name HG*  ))    1.80  0.00  2.62
 assign ((segid  A and resid  17 and name HA   ))   ((segid  A and resid  20 and name HN   ))    1.80  0.00  3.33
 assign ((segid  A and resid  17 and name HA   ))   ((segid  A and resid  21 and name HN   ))    1.80  0.00  3.77
 assign ((segid  A and resid  17 and name HA   ))   ((segid  A and resid  65 and name HA*  ))    1.80  0.00  3.20
 assign ((segid  A and resid  17 and name HN   ))   ((segid  A and resid  17 and name HD*  ))    1.80  0.00  3.01
 assign ((segid  A and resid  17 and name HN   ))   ((segid  A and resid  17 and name HG*  ))    1.80  0.00  2.64
 assign ((segid  A and resid  17 and name HN   ))   ((segid  A and resid  18 and name HN   ))    1.80  0.00  2.78
 assign ((segid  A and resid  17 and name HN   ))   ((segid  A and resid  19 and name HN   ))    1.80  0.00  4.11
 assign ((segid  A and resid  17 and name HN   ))   ((segid  A and resid  20 and name HN   ))    1.80  0.00  4.25
 assign ((segid  A and resid  17 and name HD*  ))   ((segid  A and resid  64 and name HB*  ))    1.80  0.00  3.20
 assign ((segid  A and resid  18 and name HA   ))   ((segid  A and resid  18 and name HG1* ))    1.80  0.00  1.95
 assign ((segid  A and resid  18 and name HA   ))   ((segid  A and resid  18 and name HG2* ))    1.80  0.00  1.95
 assign ((segid  A and resid  18 and name HA   ))   ((segid  A and resid  21 and name HB*  ))    1.80  0.00  2.75
 assign ((segid  A and resid  18 and name HA   ))   ((segid  A and resid  21 and name HN   ))    1.80  0.00  3.21
 assign ((segid  A and resid  18 and name HB   ))   ((segid  A and resid  19 and name HN   ))    1.80  0.00  3.11
 assign ((segid  A and resid  18 and name HG*  ))   ((segid  A and resid  19 and name HA*  ))    1.80  0.00  2.64
 assign ((segid  A and resid  18 and name HG*  ))   ((segid  A and resid  19 and name HN   ))    1.80  0.00  2.41
 assign ((segid  A and resid  18 and name HG*  ))   ((segid  A and resid  22 and name HN   ))    1.80  0.00  3.68
 assign ((segid  A and resid  18 and name HG1* ))   ((segid  A and resid  19 and name HN   ))    1.80  0.00  3.17
 assign ((segid  A and resid  18 and name HG1* ))   ((segid  A and resid  65 and name HA*  ))    1.80  0.00  3.20
 assign ((segid  A and resid  18 and name HG2* ))   ((segid  A and resid  19 and name HN   ))    1.80  0.00  3.17
 assign ((segid  A and resid  18 and name HN   ))   ((segid  A and resid  18 and name HG*  ))    1.80  0.00  1.73
 assign ((segid  A and resid  18 and name HN   ))   ((segid  A and resid  18 and name HG1* ))    1.80  0.00  2.67
 assign ((segid  A and resid  18 and name HN   ))   ((segid  A and resid  18 and name HG2* ))    1.80  0.00  2.67
 assign ((segid  A and resid  18 and name HN   ))   ((segid  A and resid  19 and name HN   ))    1.80  0.00  2.67
 assign ((segid  A and resid  19 and name HA*  ))   ((segid  A and resid  22 and name HB1  ))    1.80  0.00  3.90
 assign ((segid  A and resid  19 and name HA*  ))   ((segid  A and resid  22 and name HB2  ))    1.80  0.00  3.90
 assign ((segid  A and resid  19 and name HA*  ))   ((segid  A and resid  22 and name HD1* ))    1.80  0.00  3.79
 assign ((segid  A and resid  19 and name HA*  ))   ((segid  A and resid  22 and name HN   ))    1.80  0.00  3.08
 assign ((segid  A and resid  19 and name HA*  ))   ((segid  A and resid  23 and name HN   ))    1.80  0.00  3.93
 assign ((segid  A and resid  19 and name HN   ))   ((segid  A and resid  21 and name HB*  ))    1.80  0.00  3.94
 assign ((segid  A and resid  20 and name HA   ))   ((segid  A and resid  20 and name HD*  ))    1.80  0.00  3.14
 assign ((segid  A and resid  20 and name HA   ))   ((segid  A and resid  20 and name HE*  ))    1.80  0.00  3.23
 assign ((segid  A and resid  20 and name HA   ))   ((segid  A and resid  20 and name HG1  ))    1.80  0.00  2.47
 assign ((segid  A and resid  20 and name HA   ))   ((segid  A and resid  20 and name HG2  ))    1.80  0.00  2.47
 assign ((segid  A and resid  20 and name HA   ))   ((segid  A and resid  23 and name HB*  ))    1.80  0.00  1.97
 assign ((segid  A and resid  20 and name HA   ))   ((segid  A and resid  23 and name HN   ))    1.80  0.00  2.75
 assign ((segid  A and resid  20 and name HB*  ))   ((segid  A and resid  20 and name HE*  ))    1.80  0.00  2.08
 assign ((segid  A and resid  20 and name HB*  ))   ((segid  A and resid  21 and name HA   ))    1.80  0.00  3.56
 assign ((segid  A and resid  20 and name HB*  ))   ((segid  A and resid  21 and name HN   ))    1.80  0.00  2.19
 assign ((segid  A and resid  20 and name HD*  ))   ((segid  A and resid  21 and name HN   ))    1.80  0.00  3.72
 assign ((segid  A and resid  20 and name HG*  ))   ((segid  A and resid  20 and name HE*  ))    1.80  0.00  1.31
 assign ((segid  A and resid  20 and name HG*  ))   ((segid  A and resid  21 and name HN   ))    1.80  0.00  3.64
 assign ((segid  A and resid  20 and name HN   ))   ((segid  A and resid  20 and name HB*  ))    1.80  0.00  1.96
 assign ((segid  A and resid  20 and name HN   ))   ((segid  A and resid  20 and name HD*  ))    1.80  0.00  2.91
 assign ((segid  A and resid  20 and name HN   ))   ((segid  A and resid  20 and name HG1  ))    1.80  0.00  2.87
 assign ((segid  A and resid  20 and name HN   ))   ((segid  A and resid  20 and name HG2  ))    1.80  0.00  2.87
 assign ((segid  A and resid  20 and name HN   ))   ((segid  A and resid  21 and name HB*  ))    1.80  0.00  4.16
 assign ((segid  A and resid  20 and name HN   ))   ((segid  A and resid  21 and name HN   ))    1.80  0.00  2.51
 assign ((segid  A and resid  21 and name HB*  ))   ((segid  A and resid  22 and name HN   ))    1.80  0.00  2.07
 assign ((segid  A and resid  21 and name HB*  ))   ((segid  A and resid  23 and name HN   ))    1.80  0.00  3.24
 assign ((segid  A and resid  21 and name HB*  ))   ((segid  A and resid  65 and name HA1  ))    1.80  0.00  2.14
 assign ((segid  A and resid  21 and name HB*  ))   ((segid  A and resid  65 and name HA2  ))    1.80  0.00  2.14
 assign ((segid  A and resid  21 and name HB*  ))   ((segid  A and resid  65 and name HN   ))    1.80  0.00  1.84
 assign ((segid  A and resid  21 and name HN   ))   ((segid  A and resid  21 and name HB*  ))    1.80  0.00  1.63
 assign ((segid  A and resid  21 and name HN   ))   ((segid  A and resid  22 and name HN   ))    1.80  0.00  2.43
 assign ((segid  A and resid  21 and name HN   ))   ((segid  A and resid  23 and name HB*  ))    1.80  0.00  4.21
 assign ((segid  A and resid  21 and name HN   ))   ((segid  A and resid  23 and name HN   ))    1.80  0.00  2.86
 assign ((segid  A and resid  22 and name HA   ))   ((segid  A and resid  22 and name HD1* ))    1.80  0.00  3.02
 assign ((segid  A and resid  22 and name HA   ))   ((segid  A and resid  22 and name HD2* ))    1.80  0.00  2.27
 assign ((segid  A and resid  22 and name HA   ))   ((segid  A and resid  28 and name HD2* ))    1.80  0.00  2.63
 assign ((segid  A and resid  22 and name HA   ))   ((segid  A and resid  31 and name HD1* ))    1.80  0.00  2.97
 assign ((segid  A and resid  22 and name HB*  ))   ((segid  A and resid  22 and name HD2* ))    1.80  0.00  1.69
 assign ((segid  A and resid  22 and name HB*  ))   ((segid  A and resid  23 and name HN   ))    1.80  0.00  2.53
 assign ((segid  A and resid  22 and name HB1  ))   ((segid  A and resid  22 and name HD1* ))    1.80  0.00  2.26
 assign ((segid  A and resid  22 and name HB2  ))   ((segid  A and resid  22 and name HD1* ))    1.80  0.00  2.26
 assign ((segid  A and resid  22 and name HD1* ))   ((segid  A and resid  23 and name HN   ))    1.80  0.00  4.15
 assign ((segid  A and resid  22 and name HD1* ))   ((segid  A and resid  89 and name HD2* ))    1.80  0.00  1.90
 assign ((segid  A and resid  22 and name HD1* ))   ((segid  A and resid  90 and name HD*  ))    1.80  0.00  4.25
 assign ((segid  A and resid  22 and name HD1* ))   ((segid  A and resid  93 and name HB   ))    1.80  0.00  3.56
 assign ((segid  A and resid  22 and name HD1* ))   ((segid  A and resid  93 and name HG1* ))    1.80  0.00  2.09
 assign ((segid  A and resid  22 and name HD2* ))   ((segid  A and resid  23 and name HN   ))    1.80  0.00  3.84
 assign ((segid  A and resid  22 and name HD2* ))   ((segid  A and resid  28 and name HA   ))    1.80  0.00  6.18
 assign ((segid  A and resid  22 and name HD2* ))   ((segid  A and resid  28 and name HD2* ))    1.80  0.00  2.36
 assign ((segid  A and resid  22 and name HD2* ))   ((segid  A and resid  90 and name HD*  ))    1.80  0.00  3.14
 assign ((segid  A and resid  22 and name HN   ))   ((segid  A and resid  22 and name HB*  ))    1.80  0.00  2.10
 assign ((segid  A and resid  22 and name HN   ))   ((segid  A and resid  22 and name HD1* ))    1.80  0.00  2.90
 assign ((segid  A and resid  22 and name HN   ))   ((segid  A and resid  22 and name HD2* ))    1.80  0.00  2.90
 assign ((segid  A and resid  22 and name HN   ))   ((segid  A and resid  23 and name HB*  ))    1.80  0.00  2.90
 assign ((segid  A and resid  22 and name HN   ))   ((segid  A and resid  23 and name HN   ))    1.80  0.00  2.24
 assign ((segid  A and resid  23 and name HB*  ))   ((segid  A and resid  24 and name HN   ))    1.80  0.00  2.60
 assign ((segid  A and resid  23 and name HN   ))   ((segid  A and resid  23 and name HB*  ))    1.80  0.00  1.63
 assign ((segid  A and resid  23 and name HN   ))   ((segid  A and resid  24 and name HN   ))    1.80  0.00  2.40
 assign ((segid  A and resid  24 and name HN   ))   ((segid  A and resid  24 and name HB*  ))    1.80  0.00  1.98
 assign ((segid  A and resid  24 and name HN   ))   ((segid  A and resid  28 and name HD1* ))    1.80  0.00  2.20
 assign ((segid  A and resid  24 and name HN   ))   ((segid  A and resid  28 and name HD2* ))    1.80  0.00  3.20
 assign ((segid  A and resid  25 and name HA*  ))   ((segid  A and resid  28 and name HB*  ))    1.80  0.00  2.95
 assign ((segid  A and resid  25 and name HA1  ))   ((segid  A and resid  28 and name HD1* ))    1.80  0.00  3.20
 assign ((segid  A and resid  25 and name HA2  ))   ((segid  A and resid  28 and name HD1* ))    1.80  0.00  3.20
 assign ((segid  A and resid  25 and name HA*  ))   ((segid  A and resid  28 and name HD2* ))    1.80  0.00  3.20
 assign ((segid  A and resid  25 and name HA*  ))   ((segid  A and resid  28 and name HN   ))    1.80  0.00  3.17
 assign ((segid  A and resid  26 and name HA   ))   ((segid  A and resid  29 and name HB*  ))    1.80  0.00  3.74
 assign ((segid  A and resid  26 and name HA   ))   ((segid  A and resid  29 and name HG*  ))    1.80  0.00  4.07
 assign ((segid  A and resid  26 and name HN   ))   ((segid  A and resid  26 and name HG*  ))    1.80  0.00  1.85
 assign ((segid  A and resid  26 and name HN   ))   ((segid  A and resid  28 and name HN   ))    1.80  0.00  3.39
 assign ((segid  A and resid  27 and name HA   ))   ((segid  A and resid  30 and name HB   ))    1.80  0.00  3.21
 assign ((segid  A and resid  27 and name HA   ))   ((segid  A and resid  30 and name HN   ))    1.80  0.00  3.01
 assign ((segid  A and resid  27 and name HA   ))   ((segid  A and resid  30 and name HD1* ))    1.80  0.00  2.71
 assign ((segid  A and resid  27 and name HA   ))   ((segid  A and resid  50 and name HE*  ))    1.80  0.00  2.30
 assign ((segid  A and resid  27 and name HN   ))   ((segid  A and resid  27 and name HB1  ))    1.80  0.00  2.30
 assign ((segid  A and resid  27 and name HN   ))   ((segid  A and resid  27 and name HB2  ))    1.80  0.00  2.30
 assign ((segid  A and resid  27 and name HN   ))   ((segid  A and resid  28 and name HN   ))    1.80  0.00  2.50
 assign ((segid  A and resid  27 and name HD*  ))   ((segid  A and resid  58 and name HA   ))    1.80  0.00  3.00
 assign ((segid  A and resid  27 and name HD*  ))   ((segid  A and resid  61 and name HB*  ))    1.80  0.00  2.00
 assign ((segid  A and resid  27 and name HD*  ))   ((segid  A and resid  62 and name HN   ))    1.80  0.00  4.00
 assign ((segid  A and resid  27 and name HD*  ))   ((segid  A and resid  62 and name HD1* ))    1.80  0.00  4.00
 assign ((segid  A and resid  28 and name HA   ))   ((segid  A and resid  28 and name HD2* ))    1.80  0.00  2.16
 assign ((segid  A and resid  28 and name HA   ))   ((segid  A and resid  30 and name HN   ))    1.80  0.00  3.28
 assign ((segid  A and resid  28 and name HA   ))   ((segid  A and resid  31 and name HB*  ))    1.80  0.00  2.73
 assign ((segid  A and resid  28 and name HA   ))   ((segid  A and resid  31 and name HD1* ))    1.80  0.00  2.55
 assign ((segid  A and resid  28 and name HA   ))   ((segid  A and resid  31 and name HN   ))    1.80  0.00  3.22
 assign ((segid  A and resid  28 and name HD1* ))   ((segid  A and resid  90 and name HD*  ))    1.80  0.00  2.90
 assign ((segid  A and resid  28 and name HD1* ))   ((segid  A and resid  90 and name HE*  ))    1.80  0.00  3.20
 assign ((segid  A and resid  28 and name HD2* ))   ((segid  A and resid  31 and name HB*  ))    1.80  0.00  3.47
 assign ((segid  A and resid  28 and name HD2* ))   ((segid  A and resid  31 and name HD1* ))    1.80  0.00  2.59
 assign ((segid  A and resid  28 and name HD2* ))   ((segid  A and resid  90 and name HD*  ))    1.80  0.00  3.11
 assign ((segid  A and resid  28 and name HD2* ))   ((segid  A and resid  90 and name HE*  ))    1.80  0.00  2.14
 assign ((segid  A and resid  28 and name HG   ))   ((segid  A and resid  31 and name HD1* ))    1.80  0.00  4.11
 assign ((segid  A and resid  28 and name HN   ))   ((segid  A and resid  28 and name HD1* ))    1.80  0.00  2.69
 assign ((segid  A and resid  28 and name HN   ))   ((segid  A and resid  28 and name HD2* ))    1.80  0.00  2.56
 assign ((segid  A and resid  28 and name HN   ))   ((segid  A and resid  28 and name HG   ))    1.80  0.00  2.93
 assign ((segid  A and resid  28 and name HN   ))   ((segid  A and resid  29 and name HN   ))    1.80  0.00  2.70
 assign ((segid  A and resid  29 and name HA   ))   ((segid  A and resid  29 and name HG*  ))    1.80  0.00  2.09
 assign ((segid  A and resid  29 and name HA   ))   ((segid  A and resid  32 and name HB*  ))    1.80  0.00  2.64
 assign ((segid  A and resid  29 and name HA   ))   ((segid  A and resid  32 and name HN   ))    1.80  0.00  3.15
 assign ((segid  A and resid  29 and name HA   ))   ((segid  A and resid  33 and name HN   ))    1.80  0.00  3.63
 assign ((segid  A and resid  29 and name HB*  ))   ((segid  A and resid  29 and name HE2* ))    1.80  0.00  3.54
 assign ((segid  A and resid  29 and name HB*  ))   ((segid  A and resid  30 and name HN   ))    1.80  0.00  2.79
 assign ((segid  A and resid  29 and name HB*  ))   ((segid  A and resid  48 and name HB   ))    1.80  0.00  4.05
 assign ((segid  A and resid  29 and name HB*  ))   ((segid  A and resid  48 and name HG2* ))    1.80  0.00  2.42
 assign ((segid  A and resid  29 and name HB*  ))   ((segid  A and resid  50 and name HE*  ))    1.80  0.00  2.42
 assign ((segid  A and resid  29 and name HE2* ))   ((segid  A and resid  50 and name HE*  ))    1.80  0.00  3.57
 assign ((segid  A and resid  29 and name HG*  ))   ((segid  A and resid  29 and name HE2* ))    1.80  0.00  1.73
 assign ((segid  A and resid  29 and name HG*  ))   ((segid  A and resid  30 and name HN   ))    1.80  0.00  3.70
 assign ((segid  A and resid  29 and name HG*  ))   ((segid  A and resid  48 and name HB   ))    1.80  0.00  4.07
 assign ((segid  A and resid  29 and name HG*  ))   ((segid  A and resid  48 and name HG2* ))    1.80  0.00  2.39
 assign ((segid  A and resid  29 and name HN   ))   ((segid  A and resid  29 and name HG*  ))    1.80  0.00  2.52
 assign ((segid  A and resid  29 and name HN   ))   ((segid  A and resid  30 and name HN   ))    1.80  0.00  2.31
 assign ((segid  A and resid  30 and name HA   ))   ((segid  A and resid  30 and name HD1* ))    1.80  0.00  2.77
 assign ((segid  A and resid  30 and name HA   ))   ((segid  A and resid  33 and name HB1  ))    1.80  0.00  3.30
 assign ((segid  A and resid  30 and name HA   ))   ((segid  A and resid  33 and name HB2  ))    1.80  0.00  3.30
 assign ((segid  A and resid  30 and name HA   ))   ((segid  A and resid  33 and name HD*  ))    1.80  0.00  3.62
 assign ((segid  A and resid  30 and name HA   ))   ((segid  A and resid  33 and name HN   ))    1.80  0.00  3.70
 assign ((segid  A and resid  30 and name HA   ))   ((segid  A and resid  44 and name HD1* ))    1.80  0.00  4.25
 assign ((segid  A and resid  30 and name HA   ))   ((segid  A and resid  48 and name HG2* ))    1.80  0.00  2.78
 assign ((segid  A and resid  30 and name HB   ))   ((segid  A and resid  31 and name HD1* ))    1.80  0.00  3.64
 assign ((segid  A and resid  30 and name HB   ))   ((segid  A and resid  31 and name HD2* ))    1.80  0.00  3.37
 assign ((segid  A and resid  30 and name HB   ))   ((segid  A and resid  31 and name HN   ))    1.80  0.00  2.84
 assign ((segid  A and resid  30 and name HB   ))   ((segid  A and resid  59 and name HD2* ))    1.80  0.00  3.58
 assign ((segid  A and resid  30 and name HB   ))   ((segid  A and resid  62 and name HD1* ))    1.80  0.00  2.13
 assign ((segid  A and resid  30 and name HD1* ))   ((segid  A and resid  55 and name HA   ))    1.80  0.00  2.66
 assign ((segid  A and resid  30 and name HD1* ))   ((segid  A and resid  55 and name HB*  ))    1.80  0.00  2.79
 assign ((segid  A and resid  30 and name HD1* ))   ((segid  A and resid  58 and name HB*  ))    1.80  0.00  2.36
 assign ((segid  A and resid  30 and name HD1* ))   ((segid  A and resid  58 and name HD2* ))    1.80  0.00  3.83
 assign ((segid  A and resid  30 and name HD1* ))   ((segid  A and resid  58 and name HN   ))    1.80  0.00  3.66
 assign ((segid  A and resid  30 and name HD1* ))   ((segid  A and resid  59 and name HA   ))    1.80  0.00  3.18
 assign ((segid  A and resid  30 and name HD1* ))   ((segid  A and resid  59 and name HD1* ))    1.80  0.00  2.57
 assign ((segid  A and resid  30 and name HD1* ))   ((segid  A and resid  59 and name HD2* ))    1.80  0.00  2.71
 assign ((segid  A and resid  30 and name HD1* ))   ((segid  A and resid  59 and name HG   ))    1.80  0.00  2.24
 assign ((segid  A and resid  30 and name HD1* ))   ((segid  A and resid  59 and name HN   ))    1.80  0.00  3.33
 assign ((segid  A and resid  30 and name HG2* ))   ((segid  A and resid  31 and name HD2* ))    1.80  0.00  2.56
 assign ((segid  A and resid  30 and name HG2* ))   ((segid  A and resid  31 and name HN   ))    1.80  0.00  2.46
 assign ((segid  A and resid  30 and name HG2* ))   ((segid  A and resid  32 and name HN   ))    1.80  0.00  3.88
 assign ((segid  A and resid  30 and name HG2* ))   ((segid  A and resid  33 and name HB*  ))    1.80  0.00  3.34
 assign ((segid  A and resid  30 and name HG2* ))   ((segid  A and resid  34 and name HN   ))    1.80  0.00  3.13
 assign ((segid  A and resid  30 and name HG2* ))   ((segid  A and resid  44 and name HD1* ))    1.80  0.00  1.70
 assign ((segid  A and resid  30 and name HG2* ))   ((segid  A and resid  48 and name HG2* ))    1.80  0.00  4.25
 assign ((segid  A and resid  30 and name HG2* ))   ((segid  A and resid  55 and name HB*  ))    1.80  0.00  4.25
 assign ((segid  A and resid  30 and name HG2* ))   ((segid  A and resid  59 and name HA   ))    1.80  0.00  3.11
 assign ((segid  A and resid  30 and name HG2* ))   ((segid  A and resid  59 and name HD2* ))    1.80  0.00  1.25
 assign ((segid  A and resid  30 and name HG2* ))   ((segid  A and resid  79 and name HB1  ))    1.80  0.00  4.25
 assign ((segid  A and resid  30 and name HG2* ))   ((segid  A and resid  79 and name HB2  ))    1.80  0.00  4.25
 assign ((segid  A and resid  30 and name HN   ))   ((segid  A and resid  30 and name HD1* ))    1.80  0.00  2.25
 assign ((segid  A and resid  30 and name HN   ))   ((segid  A and resid  30 and name HG11 ))    1.80  0.00  3.02
 assign ((segid  A and resid  30 and name HN   ))   ((segid  A and resid  30 and name HG12 ))    1.80  0.00  3.02
 assign ((segid  A and resid  30 and name HN   ))   ((segid  A and resid  30 and name HG2* ))    1.80  0.00  2.88
 assign ((segid  A and resid  31 and name HA   ))   ((segid  A and resid  31 and name HD1* ))    1.80  0.00  2.72
 assign ((segid  A and resid  31 and name HA   ))   ((segid  A and resid  31 and name HD2* ))    1.80  0.00  1.69
 assign ((segid  A and resid  31 and name HA   ))   ((segid  A and resid  34 and name HB*  ))    1.80  0.00  3.24
 assign ((segid  A and resid  31 and name HA   ))   ((segid  A and resid  34 and name HD1* ))    1.80  0.00  3.20
 assign ((segid  A and resid  31 and name HA   ))   ((segid  A and resid  34 and name HN   ))    1.80  0.00  3.61
 assign ((segid  A and resid  31 and name HA   ))   ((segid  A and resid  35 and name HN   ))    1.80  0.00  3.74
 assign ((segid  A and resid  31 and name HA   ))   ((segid  A and resid  62 and name HD1* ))    1.80  0.00  3.59
 assign ((segid  A and resid  31 and name HA   ))   ((segid  A and resid  81 and name HD1* ))    1.80  0.00  2.85
 assign ((segid  A and resid  31 and name HB*  ))   ((segid  A and resid  31 and name HD1* ))    1.80  0.00  1.79
 assign ((segid  A and resid  31 and name HB*  ))   ((segid  A and resid  31 and name HD2* ))    1.80  0.00  1.53
 assign ((segid  A and resid  31 and name HB*  ))   ((segid  A and resid  62 and name HD1* ))    1.80  0.00  3.58
 assign ((segid  A and resid  31 and name HB*  ))   ((segid  A and resid  90 and name HD*  ))    1.80  0.00  3.24
 assign ((segid  A and resid  31 and name HB*  ))   ((segid  A and resid  90 and name HE*  ))    1.80  0.00  2.93
 assign ((segid  A and resid  31 and name HB*  ))   ((segid  A and resid  90 and name HZ   ))    1.80  0.00  4.07
 assign ((segid  A and resid  31 and name HB1  ))   ((segid  A and resid  32 and name HN   ))    1.80  0.00  2.81
 assign ((segid  A and resid  31 and name HB2  ))   ((segid  A and resid  32 and name HN   ))    1.80  0.00  2.81
 assign ((segid  A and resid  31 and name HD1* ))   ((segid  A and resid  32 and name HN   ))    1.80  0.00  3.28
 assign ((segid  A and resid  31 and name HD1* ))   ((segid  A and resid  62 and name HB*  ))    1.80  0.00  4.25
 assign ((segid  A and resid  31 and name HD1* ))   ((segid  A and resid  67 and name HB*  ))    1.80  0.00  3.14
 assign ((segid  A and resid  31 and name HD1* ))   ((segid  A and resid  67 and name HG   ))    1.80  0.00  3.49
 assign ((segid  A and resid  31 and name HD1* ))   ((segid  A and resid  86 and name HG1* ))    1.80  0.00  2.80
 assign ((segid  A and resid  31 and name HD1* ))   ((segid  A and resid  90 and name HD*  ))    1.80  0.00  2.80
 assign ((segid  A and resid  31 and name HD1* ))   ((segid  A and resid  90 and name HE*  ))    1.80  0.00  2.90
 assign ((segid  A and resid  31 and name HD2* ))   ((segid  A and resid  32 and name HN   ))    1.80  0.00  4.10
 assign ((segid  A and resid  31 and name HD2* ))   ((segid  A and resid  34 and name HN   ))    1.80  0.00  3.83
 assign ((segid  A and resid  31 and name HD2* ))   ((segid  A and resid  62 and name HB*  ))    1.80  0.00  4.02
 assign ((segid  A and resid  31 and name HD2* ))   ((segid  A and resid  62 and name HD1* ))    1.80  0.00  2.27
 assign ((segid  A and resid  31 and name HD2* ))   ((segid  A and resid  67 and name HA   ))    1.80  0.00  4.04
 assign ((segid  A and resid  31 and name HD2* ))   ((segid  A and resid  67 and name HB*  ))    1.80  0.00  3.20
 assign ((segid  A and resid  31 and name HD2* ))   ((segid  A and resid  67 and name HD1* ))    1.80  0.00  3.27
 assign ((segid  A and resid  31 and name HD2* ))   ((segid  A and resid  68 and name HB   ))    1.80  0.00  4.25
 assign ((segid  A and resid  31 and name HD2* ))   ((segid  A and resid  68 and name HG1* ))    1.80  0.00  1.72
 assign ((segid  A and resid  31 and name HD2* ))   ((segid  A and resid  81 and name HA   ))    1.80  0.00  2.88
 assign ((segid  A and resid  31 and name HD2* ))   ((segid  A and resid  81 and name HD1* ))    1.80  0.00  2.05
 assign ((segid  A and resid  31 and name HD2* ))   ((segid  A and resid  81 and name HG2* ))    1.80  0.00  3.01
 assign ((segid  A and resid  31 and name HD2* ))   ((segid  A and resid  82 and name HN   ))    1.80  0.00  4.25
 assign ((segid  A and resid  31 and name HD2* ))   ((segid  A and resid  86 and name HG1* ))    1.80  0.00  2.37
 assign ((segid  A and resid  31 and name HD2* ))   ((segid  A and resid  90 and name HD*  ))    1.80  0.00  2.79
 assign ((segid  A and resid  31 and name HD2* ))   ((segid  A and resid  90 and name HE*  ))    1.80  0.00  3.36
 assign ((segid  A and resid  31 and name HG   ))   ((segid  A and resid  62 and name HD1* ))    1.80  0.00  2.36
 assign ((segid  A and resid  31 and name HN   ))   ((segid  A and resid  31 and name HD1* ))    1.80  0.00  2.78
 assign ((segid  A and resid  31 and name HN   ))   ((segid  A and resid  31 and name HD2* ))    1.80  0.00  2.38
 assign ((segid  A and resid  31 and name HN   ))   ((segid  A and resid  31 and name HG   ))    1.80  0.00  2.77
 assign ((segid  A and resid  31 and name HN   ))   ((segid  A and resid  32 and name HN   ))    1.80  0.00  2.67
 assign ((segid  A and resid  31 and name HN   ))   ((segid  A and resid  62 and name HD1* ))    1.80  0.00  2.72
 assign ((segid  A and resid  32 and name HA   ))   ((segid  A and resid  35 and name HB*  ))    1.80  0.00  1.97
 assign ((segid  A and resid  32 and name HA   ))   ((segid  A and resid  35 and name HN   ))    1.80  0.00  3.00
 assign ((segid  A and resid  32 and name HA   ))   ((segid  A and resid  90 and name HE*  ))    1.80  0.00  2.43
 assign ((segid  A and resid  32 and name HB*  ))   ((segid  A and resid  33 and name HB*  ))    1.80  0.00  3.66
 assign ((segid  A and resid  32 and name HB*  ))   ((segid  A and resid  33 and name HN   ))    1.80  0.00  2.38
 assign ((segid  A and resid  32 and name HN   ))   ((segid  A and resid  32 and name HB*  ))    1.80  0.00  1.97
 assign ((segid  A and resid  32 and name HN   ))   ((segid  A and resid  33 and name HN   ))    1.80  0.00  2.49
 assign ((segid  A and resid  32 and name HN   ))   ((segid  A and resid  90 and name HZ   ))    1.80  0.00  3.03
 assign ((segid  A and resid  33 and name HA   ))   ((segid  A and resid  33 and name HD*  ))    1.80  0.00  1.80
 assign ((segid  A and resid  33 and name HA   ))   ((segid  A and resid  33 and name HD1* ))    1.80  0.00  2.59
 assign ((segid  A and resid  33 and name HA   ))   ((segid  A and resid  33 and name HD2* ))    1.80  0.00  2.59
 assign ((segid  A and resid  33 and name HA   ))   ((segid  A and resid  33 and name HG   ))    1.80  0.00  2.40
 assign ((segid  A and resid  33 and name HA   ))   ((segid  A and resid  36 and name HE2* ))    1.80  0.00  3.44
 assign ((segid  A and resid  33 and name HB*  ))   ((segid  A and resid  34 and name HN   ))    1.80  0.00  2.13
 assign ((segid  A and resid  33 and name HD*  ))   ((segid  A and resid  34 and name HN   ))    1.80  0.00  2.95
 assign ((segid  A and resid  33 and name HD*  ))   ((segid  A and resid  36 and name HB*  ))    1.80  0.00  3.89
 assign ((segid  A and resid  33 and name HD*  ))   ((segid  A and resid  36 and name HE2* ))    1.80  0.00  2.22
 assign ((segid  A and resid  33 and name HD*  ))   ((segid  A and resid  36 and name HG*  ))    1.80  0.00  2.50
 assign ((segid  A and resid  33 and name HD*  ))   ((segid  A and resid  36 and name HN   ))    1.80  0.00  4.39
 assign ((segid  A and resid  33 and name HD*  ))   ((segid  A and resid  37 and name HN   ))    1.80  0.00  6.01
 assign ((segid  A and resid  33 and name HD*  ))   ((segid  A and resid  39 and name HD*  ))    1.80  0.00  2.63
 assign ((segid  A and resid  33 and name HD*  ))   ((segid  A and resid  39 and name HE   ))    1.80  0.00  4.25
 assign ((segid  A and resid  33 and name HD*  ))   ((segid  A and resid  43 and name HB*  ))    1.80  0.00  2.75
 assign ((segid  A and resid  33 and name HD*  ))   ((segid  A and resid  44 and name HA   ))    1.80  0.00  1.92
 assign ((segid  A and resid  33 and name HD*  ))   ((segid  A and resid  44 and name HN   ))    1.80  0.00  3.11
 assign ((segid  A and resid  33 and name HD*  ))   ((segid  A and resid  47 and name HB*  ))    1.80  0.00  1.18
 assign ((segid  A and resid  33 and name HD*  ))   ((segid  A and resid  47 and name HN   ))    1.80  0.00  3.08
 assign ((segid  A and resid  33 and name HG   ))   ((segid  A and resid  36 and name HE2* ))    1.80  0.00  3.71
 assign ((segid  A and resid  33 and name HG   ))   ((segid  A and resid  39 and name HE   ))    1.80  0.00  4.25
 assign ((segid  A and resid  33 and name HN   ))   ((segid  A and resid  33 and name HB*  ))    1.80  0.00  1.73
 assign ((segid  A and resid  33 and name HN   ))   ((segid  A and resid  33 and name HD1* ))    1.80  0.00  2.97
 assign ((segid  A and resid  33 and name HN   ))   ((segid  A and resid  33 and name HD2* ))    1.80  0.00  2.97
 assign ((segid  A and resid  33 and name HN   ))   ((segid  A and resid  33 and name HG   ))    1.80  0.00  3.50
 assign ((segid  A and resid  33 and name HN   ))   ((segid  A and resid  34 and name HN   ))    1.80  0.00  2.53
 assign ((segid  A and resid  33 and name HN   ))   ((segid  A and resid  35 and name HN   ))    1.80  0.00  3.63
 assign ((segid  A and resid  34 and name HA   ))   ((segid  A and resid  34 and name HD1* ))    1.80  0.00  2.84
 assign ((segid  A and resid  34 and name HA   ))   ((segid  A and resid  34 and name HD2* ))    1.80  0.00  1.83
 assign ((segid  A and resid  34 and name HA   ))   ((segid  A and resid  37 and name HN   ))    1.80  0.00  2.62
 assign ((segid  A and resid  34 and name HB*  ))   ((segid  A and resid  80 and name HA   ))    1.80  0.00  2.77
 assign ((segid  A and resid  34 and name HB1  ))   ((segid  A and resid  34 and name HD1* ))    1.80  0.00  2.63
 assign ((segid  A and resid  34 and name HB2  ))   ((segid  A and resid  34 and name HD1* ))    1.80  0.00  2.63
 assign ((segid  A and resid  34 and name HD1* ))   ((segid  A and resid  80 and name HA   ))    1.80  0.00  3.40
 assign ((segid  A and resid  34 and name HD2* ))   ((segid  A and resid  37 and name HN   ))    1.80  0.00  3.34
 assign ((segid  A and resid  34 and name HD2* ))   ((segid  A and resid  39 and name HB*  ))    1.80  0.00  1.60
 assign ((segid  A and resid  34 and name HD2* ))   ((segid  A and resid  39 and name HN   ))    1.80  0.00  2.23
 assign ((segid  A and resid  34 and name HD2* ))   ((segid  A and resid  80 and name HA   ))    1.80  0.00  2.75
 assign ((segid  A and resid  34 and name HG   ))   ((segid  A and resid  59 and name HD2* ))    1.80  0.00  3.98
 assign ((segid  A and resid  34 and name HN   ))   ((segid  A and resid  34 and name HD1* ))    1.80  0.00  3.17
 assign ((segid  A and resid  34 and name HN   ))   ((segid  A and resid  34 and name HD2* ))    1.80  0.00  3.17
 assign ((segid  A and resid  34 and name HN   ))   ((segid  A and resid  34 and name HG   ))    1.80  0.00  3.48
 assign ((segid  A and resid  34 and name HN   ))   ((segid  A and resid  81 and name HD1* ))    1.80  0.00  4.07
 assign ((segid  A and resid  35 and name HA   ))   ((segid  A and resid  37 and name HN   ))    1.80  0.00  3.07
 assign ((segid  A and resid  35 and name HA   ))   ((segid  A and resid  81 and name HD1* ))    1.80  0.00  2.04
 assign ((segid  A and resid  35 and name HB*  ))   ((segid  A and resid  36 and name HA   ))    1.80  0.00  2.63
 assign ((segid  A and resid  35 and name HB*  ))   ((segid  A and resid  36 and name HE2* ))    1.80  0.00  4.07
 assign ((segid  A and resid  35 and name HB*  ))   ((segid  A and resid  36 and name HN   ))    1.80  0.00  2.07
 assign ((segid  A and resid  35 and name HB*  ))   ((segid  A and resid  37 and name HN   ))    1.80  0.00  3.59
 assign ((segid  A and resid  35 and name HB*  ))   ((segid  A and resid  81 and name HD1* ))    1.80  0.00  2.77
 assign ((segid  A and resid  35 and name HB*  ))   ((segid  A and resid  90 and name HD*  ))    1.80  0.00  2.46
 assign ((segid  A and resid  35 and name HB*  ))   ((segid  A and resid  90 and name HE*  ))    1.80  0.00  2.64
 assign ((segid  A and resid  35 and name HN   ))   ((segid  A and resid  35 and name HB*  ))    1.80  0.00  1.29
 assign ((segid  A and resid  35 and name HN   ))   ((segid  A and resid  36 and name HN   ))    1.80  0.00  2.58
 assign ((segid  A and resid  35 and name HN   ))   ((segid  A and resid  81 and name HD1* ))    1.80  0.00  2.90
 assign ((segid  A and resid  36 and name HB*  ))   ((segid  A and resid  37 and name HN   ))    1.80  0.00  2.51
 assign ((segid  A and resid  36 and name HG*  ))   ((segid  A and resid  36 and name HE2* ))    1.80  0.00  1.68
 assign ((segid  A and resid  36 and name HG*  ))   ((segid  A and resid  37 and name HN   ))    1.80  0.00  2.88
 assign ((segid  A and resid  36 and name HN   ))   ((segid  A and resid  36 and name HB*  ))    1.80  0.00  1.72
 assign ((segid  A and resid  36 and name HN   ))   ((segid  A and resid  36 and name HG*  ))    1.80  0.00  2.29
 assign ((segid  A and resid  37 and name HA*  ))   ((segid  A and resid  38 and name HB*  ))    1.80  0.00  2.73
 assign ((segid  A and resid  37 and name HA1  ))   ((segid  A and resid  38 and name HN   ))    1.80  0.00  1.81
 assign ((segid  A and resid  37 and name HA2  ))   ((segid  A and resid  38 and name HN   ))    1.80  0.00  1.81
 assign ((segid  A and resid  37 and name HN   ))   ((segid  A and resid  38 and name HN   ))    1.80  0.00  3.64
 assign ((segid  A and resid  38 and name HA   ))   ((segid  A and resid  39 and name HN   ))    1.80  0.00  1.99
 assign ((segid  A and resid  38 and name HA   ))   ((segid  A and resid  80 and name HA   ))    1.80  0.00  2.77
 assign ((segid  A and resid  38 and name HB*  ))   ((segid  A and resid  80 and name HE   ))    1.80  0.00  3.64
 assign ((segid  A and resid  38 and name HB*  ))   ((segid  A and resid  80 and name HG*  ))    1.80  0.00  3.21
 assign ((segid  A and resid  38 and name HG*  ))   ((segid  A and resid  39 and name HN   ))    1.80  0.00  2.74
 assign ((segid  A and resid  38 and name HG*  ))   ((segid  A and resid  78 and name HB*  ))    1.80  0.00  2.62
 assign ((segid  A and resid  38 and name HG*  ))   ((segid  A and resid  78 and name HD*  ))    1.80  0.00  3.33
 assign ((segid  A and resid  38 and name HN   ))   ((segid  A and resid  38 and name HB*  ))    1.80  0.00  1.64
 assign ((segid  A and resid  38 and name HN   ))   ((segid  A and resid  38 and name HG*  ))    1.80  0.00  2.61
 assign ((segid  A and resid  38 and name HN   ))   ((segid  A and resid  39 and name HN   ))    1.80  0.00  3.48
 assign ((segid  A and resid  39 and name HA   ))   ((segid  A and resid  39 and name HD*  ))    1.80  0.00  2.75
 assign ((segid  A and resid  39 and name HA   ))   ((segid  A and resid  40 and name HN   ))    1.80  0.00  1.76
 assign ((segid  A and resid  39 and name HA   ))   ((segid  A and resid  43 and name HB*  ))    1.80  0.00  2.80
 assign ((segid  A and resid  39 and name HA   ))   ((segid  A and resid  44 and name HD1* ))    1.80  0.00  4.25
 assign ((segid  A and resid  39 and name HB*  ))   ((segid  A and resid  39 and name HE   ))    1.80  0.00  4.07
 assign ((segid  A and resid  39 and name HB*  ))   ((segid  A and resid  40 and name HN   ))    1.80  0.00  2.64
 assign ((segid  A and resid  39 and name HD*  ))   ((segid  A and resid  40 and name HN   ))    1.80  0.00  3.40
 assign ((segid  A and resid  39 and name HD*  ))   ((segid  A and resid  43 and name HB*  ))    1.80  0.00  2.94
 assign ((segid  A and resid  39 and name HG*  ))   ((segid  A and resid  40 and name HN   ))    1.80  0.00  3.24
 assign ((segid  A and resid  39 and name HN   ))   ((segid  A and resid  79 and name HN   ))    1.80  0.00  3.05
 assign ((segid  A and resid  40 and name HA   ))   ((segid  A and resid  41 and name HG1* ))    1.80  0.00  4.25
 assign ((segid  A and resid  40 and name HA   ))   ((segid  A and resid  41 and name HG2* ))    1.80  0.00  2.57
 assign ((segid  A and resid  40 and name HA   ))   ((segid  A and resid  41 and name HN   ))    1.80  0.00  2.12
 assign ((segid  A and resid  40 and name HA   ))   ((segid  A and resid  78 and name HA   ))    1.80  0.00  2.24
 assign ((segid  A and resid  40 and name HA   ))   ((segid  A and resid  79 and name HN   ))    1.80  0.00  2.61
 assign ((segid  A and resid  40 and name HB*  ))   ((segid  A and resid  41 and name HA   ))    1.80  0.00  3.44
 assign ((segid  A and resid  40 and name HB*  ))   ((segid  A and resid  41 and name HG1* ))    1.80  0.00  4.12
 assign ((segid  A and resid  40 and name HB*  ))   ((segid  A and resid  41 and name HN   ))    1.80  0.00  1.96
 assign ((segid  A and resid  40 and name HB*  ))   ((segid  A and resid  42 and name HB*  ))    1.80  0.00  2.47
 assign ((segid  A and resid  40 and name HB*  ))   ((segid  A and resid  42 and name HG*  ))    1.80  0.00  3.15
 assign ((segid  A and resid  40 and name HB*  ))   ((segid  A and resid  42 and name HN   ))    1.80  0.00  2.37
 assign ((segid  A and resid  40 and name HB*  ))   ((segid  A and resid  43 and name HB*  ))    1.80  0.00  2.21
 assign ((segid  A and resid  40 and name HB*  ))   ((segid  A and resid  43 and name HN   ))    1.80  0.00  2.33
 assign ((segid  A and resid  40 and name HB*  ))   ((segid  A and resid  44 and name HD1* ))    1.80  0.00  3.48
 assign ((segid  A and resid  40 and name HB*  ))   ((segid  A and resid  44 and name HN   ))    1.80  0.00  3.71
 assign ((segid  A and resid  40 and name HB*  ))   ((segid  A and resid  52 and name HD*  ))    1.80  0.00  4.18
 assign ((segid  A and resid  40 and name HB*  ))   ((segid  A and resid  76 and name HD*  ))    1.80  0.00  1.80
 assign ((segid  A and resid  40 and name HB*  ))   ((segid  A and resid  78 and name HB*  ))    1.80  0.00  4.07
 assign ((segid  A and resid  40 and name HB*  ))   ((segid  A and resid  78 and name HD*  ))    1.80  0.00  2.23
 assign ((segid  A and resid  40 and name HB*  ))   ((segid  A and resid  78 and name HE*  ))    1.80  0.00  2.08
 assign ((segid  A and resid  40 and name HN   ))   ((segid  A and resid  40 and name HB*  ))    1.80  0.00  1.75
 assign ((segid  A and resid  40 and name HN   ))   ((segid  A and resid  43 and name HB*  ))    1.80  0.00  2.30
 assign ((segid  A and resid  40 and name HN   ))   ((segid  A and resid  78 and name HD*  ))    1.80  0.00  2.81
 assign ((segid  A and resid  40 and name HN   ))   ((segid  A and resid  78 and name HE*  ))    1.80  0.00  2.66
 assign ((segid  A and resid  41 and name HA   ))   ((segid  A and resid  41 and name HG1* ))    1.80  0.00  1.86
 assign ((segid  A and resid  41 and name HA   ))   ((segid  A and resid  41 and name HG2* ))    1.80  0.00  1.65
 assign ((segid  A and resid  41 and name HA   ))   ((segid  A and resid  44 and name HB   ))    1.80  0.00  3.13
 assign ((segid  A and resid  41 and name HA   ))   ((segid  A and resid  44 and name HD1* ))    1.80  0.00  1.86
 assign ((segid  A and resid  41 and name HA   ))   ((segid  A and resid  44 and name HN   ))    1.80  0.00  3.51
 assign ((segid  A and resid  41 and name HA   ))   ((segid  A and resid  45 and name HN   ))    1.80  0.00  3.61
 assign ((segid  A and resid  41 and name HA   ))   ((segid  A and resid  59 and name HD1* ))    1.80  0.00  2.66
 assign ((segid  A and resid  41 and name HB   ))   ((segid  A and resid  42 and name HN   ))    1.80  0.00  2.34
 assign ((segid  A and resid  41 and name HB   ))   ((segid  A and resid  52 and name HD*  ))    1.80  0.00  2.50
 assign ((segid  A and resid  41 and name HB   ))   ((segid  A and resid  59 and name HD1* ))    1.80  0.00  3.01
 assign ((segid  A and resid  41 and name HB   ))   ((segid  A and resid  79 and name HE*  ))    1.80  0.00  3.48
 assign ((segid  A and resid  41 and name HG1* ))   ((segid  A and resid  42 and name HN   ))    1.80  0.00  2.26
 assign ((segid  A and resid  41 and name HG1* ))   ((segid  A and resid  43 and name HN   ))    1.80  0.00  3.68
 assign ((segid  A and resid  41 and name HG1* ))   ((segid  A and resid  44 and name HN   ))    1.80  0.00  3.80
 assign ((segid  A and resid  41 and name HG1* ))   ((segid  A and resid  45 and name HB*  ))    1.80  0.00  2.12
 assign ((segid  A and resid  41 and name HG1* ))   ((segid  A and resid  45 and name HN   ))    1.80  0.00  3.63
 assign ((segid  A and resid  41 and name HG1* ))   ((segid  A and resid  52 and name HB*  ))    1.80  0.00  3.44
 assign ((segid  A and resid  41 and name HG1* ))   ((segid  A and resid  55 and name HB*  ))    1.80  0.00  2.03
 assign ((segid  A and resid  41 and name HG1* ))   ((segid  A and resid  56 and name HA   ))    1.80  0.00  2.33
 assign ((segid  A and resid  41 and name HG1* ))   ((segid  A and resid  56 and name HB*  ))    1.80  0.00  3.29
 assign ((segid  A and resid  41 and name HG1* ))   ((segid  A and resid  56 and name HN   ))    1.80  0.00  3.17
 assign ((segid  A and resid  41 and name HG1* ))   ((segid  A and resid  59 and name HB*  ))    1.80  0.00  4.06
 assign ((segid  A and resid  41 and name HG1* ))   ((segid  A and resid  59 and name HD1* ))    1.80  0.00  1.73
 assign ((segid  A and resid  41 and name HG1* ))   ((segid  A and resid  79 and name HE*  ))    1.80  0.00  3.09
 assign ((segid  A and resid  41 and name HG2* ))   ((segid  A and resid  42 and name HN   ))    1.80  0.00  2.72
 assign ((segid  A and resid  41 and name HG2* ))   ((segid  A and resid  44 and name HN   ))    1.80  0.00  4.15
 assign ((segid  A and resid  41 and name HG2* ))   ((segid  A and resid  56 and name HB*  ))    1.80  0.00  3.23
 assign ((segid  A and resid  41 and name HG2* ))   ((segid  A and resid  59 and name HD1* ))    1.80  0.00  1.41
 assign ((segid  A and resid  41 and name HG2* ))   ((segid  A and resid  59 and name HD2* ))    1.80  0.00  2.67
 assign ((segid  A and resid  41 and name HG2* ))   ((segid  A and resid  77 and name HB*  ))    1.80  0.00  1.59
 assign ((segid  A and resid  41 and name HG2* ))   ((segid  A and resid  77 and name HG*  ))    1.80  0.00  2.67
 assign ((segid  A and resid  41 and name HG2* ))   ((segid  A and resid  79 and name HD*  ))    1.80  0.00  2.03
 assign ((segid  A and resid  41 and name HG2* ))   ((segid  A and resid  79 and name HE*  ))    1.80  0.00  1.70
 assign ((segid  A and resid  41 and name HN   ))   ((segid  A and resid  41 and name HB   ))    1.80  0.00  2.12
 assign ((segid  A and resid  41 and name HN   ))   ((segid  A and resid  41 and name HG1* ))    1.80  0.00  2.40
 assign ((segid  A and resid  41 and name HN   ))   ((segid  A and resid  41 and name HG2* ))    1.80  0.00  1.43
 assign ((segid  A and resid  41 and name HN   ))   ((segid  A and resid  42 and name HN   ))    1.80  0.00  2.78
 assign ((segid  A and resid  41 and name HN   ))   ((segid  A and resid  44 and name HD1* ))    1.80  0.00  3.09
 assign ((segid  A and resid  42 and name HA   ))   ((segid  A and resid  42 and name HG*  ))    1.80  0.00  1.91
 assign ((segid  A and resid  42 and name HA   ))   ((segid  A and resid  45 and name HB*  ))    1.80  0.00  2.36
 assign ((segid  A and resid  42 and name HA   ))   ((segid  A and resid  45 and name HN   ))    1.80  0.00  2.81
 assign ((segid  A and resid  42 and name HA   ))   ((segid  A and resid  46 and name HN   ))    1.80  0.00  3.53
 assign ((segid  A and resid  42 and name HA   ))   ((segid  A and resid  52 and name HD*  ))    1.80  0.00  1.54
 assign ((segid  A and resid  42 and name HB*  ))   ((segid  A and resid  43 and name HA   ))    1.80  0.00  3.84
 assign ((segid  A and resid  42 and name HB*  ))   ((segid  A and resid  43 and name HN   ))    1.80  0.00  2.18
 assign ((segid  A and resid  42 and name HB*  ))   ((segid  A and resid  45 and name HB*  ))    1.80  0.00  3.82
 assign ((segid  A and resid  42 and name HB*  ))   ((segid  A and resid  52 and name HD1* ))    1.80  0.00  3.35
 assign ((segid  A and resid  42 and name HB*  ))   ((segid  A and resid  52 and name HD2* ))    1.80  0.00  3.35
 assign ((segid  A and resid  42 and name HG*  ))   ((segid  A and resid  43 and name HN   ))    1.80  0.00  3.23
 assign ((segid  A and resid  42 and name HG*  ))   ((segid  A and resid  45 and name HB*  ))    1.80  0.00  2.89
 assign ((segid  A and resid  42 and name HG*  ))   ((segid  A and resid  52 and name HD*  ))    1.80  0.00  1.18
 assign ((segid  A and resid  42 and name HG*  ))   ((segid  A and resid  52 and name HG   ))    1.80  0.00  2.67
 assign ((segid  A and resid  42 and name HG1  ))   ((segid  A and resid  52 and name HD1* ))    1.80  0.00  2.54
 assign ((segid  A and resid  42 and name HG1  ))   ((segid  A and resid  52 and name HD2* ))    1.80  0.00  2.54
 assign ((segid  A and resid  42 and name HG2  ))   ((segid  A and resid  52 and name HD1* ))    1.80  0.00  2.54
 assign ((segid  A and resid  42 and name HG2  ))   ((segid  A and resid  52 and name HD2* ))    1.80  0.00  2.54
 assign ((segid  A and resid  42 and name HN   ))   ((segid  A and resid  42 and name HB*  ))    1.80  0.00  1.80
 assign ((segid  A and resid  42 and name HN   ))   ((segid  A and resid  42 and name HG*  ))    1.80  0.00  2.19
 assign ((segid  A and resid  42 and name HN   ))   ((segid  A and resid  43 and name HB*  ))    1.80  0.00  3.24
 assign ((segid  A and resid  42 and name HN   ))   ((segid  A and resid  43 and name HN   ))    1.80  0.00  2.30
 assign ((segid  A and resid  42 and name HN   ))   ((segid  A and resid  52 and name HD1* ))    1.80  0.00  3.99
 assign ((segid  A and resid  42 and name HN   ))   ((segid  A and resid  52 and name HD2* ))    1.80  0.00  3.99
 assign ((segid  A and resid  43 and name HA   ))   ((segid  A and resid  46 and name HB   ))    1.80  0.00  2.30
 assign ((segid  A and resid  43 and name HA   ))   ((segid  A and resid  46 and name HG2* ))    1.80  0.00  4.24
 assign ((segid  A and resid  43 and name HA   ))   ((segid  A and resid  46 and name HN   ))    1.80  0.00  2.68
 assign ((segid  A and resid  43 and name HA   ))   ((segid  A and resid  47 and name HN   ))    1.80  0.00  3.55
 assign ((segid  A and resid  43 and name HB*  ))   ((segid  A and resid  44 and name HA   ))    1.80  0.00  2.88
 assign ((segid  A and resid  43 and name HB*  ))   ((segid  A and resid  44 and name HD1* ))    1.80  0.00  3.13
 assign ((segid  A and resid  43 and name HB*  ))   ((segid  A and resid  44 and name HN   ))    1.80  0.00  2.08
 assign ((segid  A and resid  43 and name HB*  ))   ((segid  A and resid  45 and name HN   ))    1.80  0.00  3.29
 assign ((segid  A and resid  43 and name HN   ))   ((segid  A and resid  43 and name HB*  ))    1.80  0.00  1.59
 assign ((segid  A and resid  43 and name HN   ))   ((segid  A and resid  44 and name HN   ))    1.80  0.00  2.10
 assign ((segid  A and resid  44 and name HA   ))   ((segid  A and resid  47 and name HB*  ))    1.80  0.00  1.98
 assign ((segid  A and resid  44 and name HA   ))   ((segid  A and resid  47 and name HN   ))    1.80  0.00  3.07
 assign ((segid  A and resid  44 and name HA   ))   ((segid  A and resid  48 and name HG2* ))    1.80  0.00  3.37
 assign ((segid  A and resid  44 and name HB   ))   ((segid  A and resid  45 and name HN   ))    1.80  0.00  2.34
 assign ((segid  A and resid  44 and name HB   ))   ((segid  A and resid  59 and name HD1* ))    1.80  0.00  3.94
 assign ((segid  A and resid  44 and name HD1* ))   ((segid  A and resid  45 and name HB*  ))    1.80  0.00  3.55
 assign ((segid  A and resid  44 and name HD1* ))   ((segid  A and resid  45 and name HN   ))    1.80  0.00  3.61
 assign ((segid  A and resid  44 and name HD1* ))   ((segid  A and resid  59 and name HD1* ))    1.80  0.00  1.70
 assign ((segid  A and resid  44 and name HD1* ))   ((segid  A and resid  59 and name HD2* ))    1.80  0.00  1.36
 assign ((segid  A and resid  44 and name HD1* ))   ((segid  A and resid  79 and name HD*  ))    1.80  0.00  2.92
 assign ((segid  A and resid  44 and name HD1* ))   ((segid  A and resid  79 and name HN   ))    1.80  0.00  3.56
 assign ((segid  A and resid  44 and name HG2* ))   ((segid  A and resid  45 and name HA   ))    1.80  0.00  2.96
 assign ((segid  A and resid  44 and name HG2* ))   ((segid  A and resid  45 and name HN   ))    1.80  0.00  2.48
 assign ((segid  A and resid  44 and name HG2* ))   ((segid  A and resid  47 and name HB*  ))    1.80  0.00  2.31
 assign ((segid  A and resid  44 and name HG2* ))   ((segid  A and resid  48 and name HB   ))    1.80  0.00  3.89
 assign ((segid  A and resid  44 and name HG2* ))   ((segid  A and resid  48 and name HG2* ))    1.80  0.00  2.02
 assign ((segid  A and resid  44 and name HG2* ))   ((segid  A and resid  48 and name HN   ))    1.80  0.00  2.92
 assign ((segid  A and resid  44 and name HG2* ))   ((segid  A and resid  55 and name HB*  ))    1.80  0.00  2.37
 assign ((segid  A and resid  44 and name HG2* ))   ((segid  A and resid  59 and name HD1* ))    1.80  0.00  2.86
 assign ((segid  A and resid  44 and name HG2* ))   ((segid  A and resid  59 and name HD2* ))    1.80  0.00  3.16
 assign ((segid  A and resid  44 and name HN   ))   ((segid  A and resid  44 and name HB   ))    1.80  0.00  2.28
 assign ((segid  A and resid  44 and name HN   ))   ((segid  A and resid  44 and name HD1* ))    1.80  0.00  2.31
 assign ((segid  A and resid  44 and name HN   ))   ((segid  A and resid  44 and name HG1* ))    1.80  0.00  3.28
 assign ((segid  A and resid  44 and name HN   ))   ((segid  A and resid  44 and name HG2* ))    1.80  0.00  2.46
 assign ((segid  A and resid  44 and name HN   ))   ((segid  A and resid  45 and name HN   ))    1.80  0.00  2.33
 assign ((segid  A and resid  44 and name HN   ))   ((segid  A and resid  59 and name HD1* ))    1.80  0.00  4.25
 assign ((segid  A and resid  45 and name HA   ))   ((segid  A and resid  48 and name HN   ))    1.80  0.00  3.41
 assign ((segid  A and resid  45 and name HA   ))   ((segid  A and resid  50 and name HN   ))    1.80  0.00  2.24
 assign ((segid  A and resid  45 and name HA   ))   ((segid  A and resid  55 and name HB*  ))    1.80  0.00  2.14
 assign ((segid  A and resid  45 and name HB*  ))   ((segid  A and resid  46 and name HN   ))    1.80  0.00  1.78
 assign ((segid  A and resid  45 and name HB*  ))   ((segid  A and resid  50 and name HE*  ))    1.80  0.00  4.06
 assign ((segid  A and resid  45 and name HB*  ))   ((segid  A and resid  55 and name HB*  ))    1.80  0.00  1.62
 assign ((segid  A and resid  45 and name HN   ))   ((segid  A and resid  45 and name HB*  ))    1.80  0.00  1.56
 assign ((segid  A and resid  45 and name HN   ))   ((segid  A and resid  46 and name HB   ))    1.80  0.00  3.80
 assign ((segid  A and resid  45 and name HN   ))   ((segid  A and resid  46 and name HN   ))    1.80  0.00  2.25
 assign ((segid  A and resid  45 and name HN   ))   ((segid  A and resid  52 and name HD*  ))    1.80  0.00  3.52
 assign ((segid  A and resid  45 and name HN   ))   ((segid  A and resid  55 and name HB*  ))    1.80  0.00  2.75
 assign ((segid  A and resid  46 and name HA   ))   ((segid  A and resid  46 and name HG2* ))    1.80  0.00  1.49
 assign ((segid  A and resid  46 and name HA   ))   ((segid  A and resid  48 and name HN   ))    1.80  0.00  3.49
 assign ((segid  A and resid  46 and name HA   ))   ((segid  A and resid  49 and name HN   ))    1.80  0.00  2.99
 assign ((segid  A and resid  46 and name HB   ))   ((segid  A and resid  47 and name HB*  ))    1.80  0.00  3.01
 assign ((segid  A and resid  46 and name HB   ))   ((segid  A and resid  47 and name HN   ))    1.80  0.00  1.80
 assign ((segid  A and resid  46 and name HG2* ))   ((segid  A and resid  47 and name HN   ))    1.80  0.00  2.16
 assign ((segid  A and resid  46 and name HN   ))   ((segid  A and resid  46 and name HB   ))    1.80  0.00  1.69
 assign ((segid  A and resid  46 and name HN   ))   ((segid  A and resid  46 and name HG2* ))    1.80  0.00  2.52
 assign ((segid  A and resid  46 and name HN   ))   ((segid  A and resid  47 and name HN   ))    1.80  0.00  1.89
 assign ((segid  A and resid  47 and name HB*  ))   ((segid  A and resid  48 and name HN   ))    1.80  0.00  2.15
 assign ((segid  A and resid  47 and name HB*  ))   ((segid  A and resid  49 and name HN   ))    1.80  0.00  3.25
 assign ((segid  A and resid  47 and name HN   ))   ((segid  A and resid  47 and name HB*  ))    1.80  0.00  1.38
 assign ((segid  A and resid  47 and name HN   ))   ((segid  A and resid  48 and name HG2* ))    1.80  0.00  3.93
 assign ((segid  A and resid  47 and name HN   ))   ((segid  A and resid  48 and name HN   ))    1.80  0.00  2.12
 assign ((segid  A and resid  48 and name HA   ))   ((segid  A and resid  48 and name HG2* ))    1.80  0.00  1.68
 assign ((segid  A and resid  48 and name HA   ))   ((segid  A and resid  50 and name HE*  ))    1.80  0.00  3.12
 assign ((segid  A and resid  48 and name HB   ))   ((segid  A and resid  50 and name HE*  ))    1.80  0.00  1.40
 assign ((segid  A and resid  48 and name HB   ))   ((segid  A and resid  50 and name HG*  ))    1.80  0.00  3.03
 assign ((segid  A and resid  48 and name HB   ))   ((segid  A and resid  50 and name HN   ))    1.80  0.00  3.53
 assign ((segid  A and resid  48 and name HG2* ))   ((segid  A and resid  49 and name HN   ))    1.80  0.00  3.00
 assign ((segid  A and resid  48 and name HG2* ))   ((segid  A and resid  50 and name HE*  ))    1.80  0.00  1.32
 assign ((segid  A and resid  48 and name HG2* ))   ((segid  A and resid  50 and name HN   ))    1.80  0.00  3.70
 assign ((segid  A and resid  48 and name HN   ))   ((segid  A and resid  48 and name HG2* ))    1.80  0.00  1.89
 assign ((segid  A and resid  48 and name HN   ))   ((segid  A and resid  49 and name HN   ))    1.80  0.00  2.03
 assign ((segid  A and resid  50 and name HA   ))   ((segid  A and resid  50 and name HE*  ))    1.80  0.00  3.57
 assign ((segid  A and resid  50 and name HA   ))   ((segid  A and resid  50 and name HG*  ))    1.80  0.00  2.01
 assign ((segid  A and resid  50 and name HA   ))   ((segid  A and resid  51 and name HN   ))    1.80  0.00  1.64
 assign ((segid  A and resid  50 and name HA   ))   ((segid  A and resid  54 and name HG2* ))    1.80  0.00  4.25
 assign ((segid  A and resid  50 and name HA   ))   ((segid  A and resid  55 and name HB*  ))    1.80  0.00  4.25
 assign ((segid  A and resid  50 and name HB*  ))   ((segid  A and resid  54 and name HG2* ))    1.80  0.00  2.93
 assign ((segid  A and resid  50 and name HB*  ))   ((segid  A and resid  55 and name HB*  ))    1.80  0.00  2.03
 assign ((segid  A and resid  50 and name HB*  ))   ((segid  A and resid  55 and name HN   ))    1.80  0.00  2.72
 assign ((segid  A and resid  50 and name HB1  ))   ((segid  A and resid  51 and name HN   ))    1.80  0.00  2.60
 assign ((segid  A and resid  50 and name HB2  ))   ((segid  A and resid  51 and name HN   ))    1.80  0.00  2.60
 assign ((segid  A and resid  50 and name HE*  ))   ((segid  A and resid  55 and name HA   ))    1.80  0.00  2.84
 assign ((segid  A and resid  50 and name HE*  ))   ((segid  A and resid  55 and name HB*  ))    1.80  0.00  2.97
 assign ((segid  A and resid  50 and name HE*  ))   ((segid  A and resid  55 and name HN   ))    1.80  0.00  3.83
 assign ((segid  A and resid  50 and name HE*  ))   ((segid  A and resid  58 and name HD2* ))    1.80  0.00  3.62
 assign ((segid  A and resid  50 and name HG*  ))   ((segid  A and resid  50 and name HE*  ))    1.80  0.00  1.57
 assign ((segid  A and resid  50 and name HG*  ))   ((segid  A and resid  54 and name HG2* ))    1.80  0.00  2.81
 assign ((segid  A and resid  50 and name HG*  ))   ((segid  A and resid  55 and name HB*  ))    1.80  0.00  3.23
 assign ((segid  A and resid  50 and name HN   ))   ((segid  A and resid  50 and name HB*  ))    1.80  0.00  2.04
 assign ((segid  A and resid  50 and name HN   ))   ((segid  A and resid  50 and name HE*  ))    1.80  0.00  2.93
 assign ((segid  A and resid  50 and name HN   ))   ((segid  A and resid  50 and name HG*  ))    1.80  0.00  1.97
 assign ((segid  A and resid  50 and name HN   ))   ((segid  A and resid  55 and name HB*  ))    1.80  0.00  3.96
 assign ((segid  A and resid  51 and name HA   ))   ((segid  A and resid  52 and name HN   ))    1.80  0.00  1.99
 assign ((segid  A and resid  51 and name HA   ))   ((segid  A and resid  53 and name HN   ))    1.80  0.00  3.60
 assign ((segid  A and resid  51 and name HA   ))   ((segid  A and resid  55 and name HB*  ))    1.80  0.00  4.25
 assign ((segid  A and resid  51 and name HB*  ))   ((segid  A and resid  53 and name HN   ))    1.80  0.00  2.93
 assign ((segid  A and resid  51 and name HB1  ))   ((segid  A and resid  52 and name HN   ))    1.80  0.00  2.46
 assign ((segid  A and resid  51 and name HB2  ))   ((segid  A and resid  52 and name HN   ))    1.80  0.00  2.46
 assign ((segid  A and resid  51 and name HN   ))   ((segid  A and resid  51 and name HB*  ))    1.80  0.00  1.98
 assign ((segid  A and resid  51 and name HN   ))   ((segid  A and resid  54 and name HG2* ))    1.80  0.00  3.83
 assign ((segid  A and resid  51 and name HN   ))   ((segid  A and resid  54 and name HN   ))    1.80  0.00  3.46
 assign ((segid  A and resid  51 and name HN   ))   ((segid  A and resid  55 and name HB*  ))    1.80  0.00  3.64
 assign ((segid  A and resid  52 and name HA   ))   ((segid  A and resid  52 and name HD*  ))    1.80  0.00  1.88
 assign ((segid  A and resid  52 and name HA   ))   ((segid  A and resid  52 and name HG   ))    1.80  0.00  2.40
 assign ((segid  A and resid  52 and name HA   ))   ((segid  A and resid  55 and name HB*  ))    1.80  0.00  2.04
 assign ((segid  A and resid  52 and name HA   ))   ((segid  A and resid  55 and name HN   ))    1.80  0.00  2.95
 assign ((segid  A and resid  52 and name HA   ))   ((segid  A and resid  56 and name HN   ))    1.80  0.00  2.72
 assign ((segid  A and resid  52 and name HB*  ))   ((segid  A and resid  52 and name HD1* ))    1.80  0.00  2.39
 assign ((segid  A and resid  52 and name HB*  ))   ((segid  A and resid  52 and name HD2* ))    1.80  0.00  2.39
 assign ((segid  A and resid  52 and name HB*  ))   ((segid  A and resid  53 and name HN   ))    1.80  0.00  1.91
 assign ((segid  A and resid  52 and name HB*  ))   ((segid  A and resid  55 and name HB*  ))    1.80  0.00  3.51
 assign ((segid  A and resid  52 and name HB*  ))   ((segid  A and resid  56 and name HN   ))    1.80  0.00  3.78
 assign ((segid  A and resid  52 and name HD*  ))   ((segid  A and resid  53 and name HN   ))    1.80  0.00  2.90
 assign ((segid  A and resid  52 and name HD*  ))   ((segid  A and resid  55 and name HB*  ))    1.80  0.00  2.53
 assign ((segid  A and resid  52 and name HD*  ))   ((segid  A and resid  56 and name HB*  ))    1.80  0.00  3.99
 assign ((segid  A and resid  52 and name HD*  ))   ((segid  A and resid  56 and name HN   ))    1.80  0.00  3.69
 assign ((segid  A and resid  52 and name HN   ))   ((segid  A and resid  52 and name HB*  ))    1.80  0.00  1.64
 assign ((segid  A and resid  52 and name HN   ))   ((segid  A and resid  52 and name HD*  ))    1.80  0.00  2.41
 assign ((segid  A and resid  52 and name HN   ))   ((segid  A and resid  52 and name HG   ))    1.80  0.00  2.62
 assign ((segid  A and resid  52 and name HN   ))   ((segid  A and resid  53 and name HN   ))    1.80  0.00  2.33
 assign ((segid  A and resid  53 and name HB   ))   ((segid  A and resid  54 and name HN   ))    1.80  0.00  2.17
 assign ((segid  A and resid  53 and name HB   ))   ((segid  A and resid  55 and name HN   ))    1.80  0.00  4.23
 assign ((segid  A and resid  53 and name HG2* ))   ((segid  A and resid  54 and name HN   ))    1.80  0.00  2.13
 assign ((segid  A and resid  53 and name HN   ))   ((segid  A and resid  53 and name HB   ))    1.80  0.00  1.80
 assign ((segid  A and resid  53 and name HN   ))   ((segid  A and resid  53 and name HG2* ))    1.80  0.00  2.51
 assign ((segid  A and resid  53 and name HN   ))   ((segid  A and resid  54 and name HN   ))    1.80  0.00  1.99
 assign ((segid  A and resid  54 and name HB   ))   ((segid  A and resid  55 and name HN   ))    1.80  0.00  2.48
 assign ((segid  A and resid  54 and name HG2* ))   ((segid  A and resid  55 and name HN   ))    1.80  0.00  2.60
 assign ((segid  A and resid  54 and name HG2* ))   ((segid  A and resid  57 and name HN   ))    1.80  0.00  3.26
 assign ((segid  A and resid  54 and name HG2* ))   ((segid  A and resid  58 and name HD21 ))    1.80  0.00  2.10
 assign ((segid  A and resid  54 and name HG2* ))   ((segid  A and resid  58 and name HD22 ))    1.80  0.00  2.10
 assign ((segid  A and resid  54 and name HN   ))   ((segid  A and resid  54 and name HB   ))    1.80  0.00  2.48
 assign ((segid  A and resid  54 and name HN   ))   ((segid  A and resid  54 and name HG2* ))    1.80  0.00  3.34
 assign ((segid  A and resid  54 and name HN   ))   ((segid  A and resid  55 and name HN   ))    1.80  0.00  2.13
 assign ((segid  A and resid  55 and name HA   ))   ((segid  A and resid  58 and name HB*  ))    1.80  0.00  3.17
 assign ((segid  A and resid  55 and name HA   ))   ((segid  A and resid  58 and name HN   ))    1.80  0.00  3.11
 assign ((segid  A and resid  55 and name HB*  ))   ((segid  A and resid  56 and name HA   ))    1.80  0.00  3.15
 assign ((segid  A and resid  55 and name HB*  ))   ((segid  A and resid  56 and name HN   ))    1.80  0.00  1.87
 assign ((segid  A and resid  55 and name HB*  ))   ((segid  A and resid  57 and name HN   ))    1.80  0.00  4.01
 assign ((segid  A and resid  55 and name HB*  ))   ((segid  A and resid  58 and name HB*  ))    1.80  0.00  4.07
 assign ((segid  A and resid  55 and name HB*  ))   ((segid  A and resid  58 and name HN   ))    1.80  0.00  4.25
 assign ((segid  A and resid  55 and name HB*  ))   ((segid  A and resid  59 and name HD1* ))    1.80  0.00  2.57
 assign ((segid  A and resid  55 and name HN   ))   ((segid  A and resid  55 and name HB*  ))    1.80  0.00  1.80
 assign ((segid  A and resid  55 and name HN   ))   ((segid  A and resid  56 and name HN   ))    1.80  0.00  2.30
 assign ((segid  A and resid  55 and name HN   ))   ((segid  A and resid  57 and name HN   ))    1.80  0.00  3.49
 assign ((segid  A and resid  56 and name HA   ))   ((segid  A and resid  57 and name HB*  ))    1.80  0.00  3.79
 assign ((segid  A and resid  56 and name HA   ))   ((segid  A and resid  59 and name HB1  ))    1.80  0.00  3.38
 assign ((segid  A and resid  56 and name HA   ))   ((segid  A and resid  59 and name HB2  ))    1.80  0.00  3.38
 assign ((segid  A and resid  56 and name HA   ))   ((segid  A and resid  59 and name HD1* ))    1.80  0.00  2.12
 assign ((segid  A and resid  56 and name HA   ))   ((segid  A and resid  59 and name HD2* ))    1.80  0.00  3.67
 assign ((segid  A and resid  56 and name HA   ))   ((segid  A and resid  59 and name HN   ))    1.80  0.00  2.75
 assign ((segid  A and resid  56 and name HB*  ))   ((segid  A and resid  57 and name HB*  ))    1.80  0.00  3.90
 assign ((segid  A and resid  56 and name HN   ))   ((segid  A and resid  56 and name HB*  ))    1.80  0.00  1.92
 assign ((segid  A and resid  56 and name HN   ))   ((segid  A and resid  57 and name HB*  ))    1.80  0.00  3.21
 assign ((segid  A and resid  56 and name HN   ))   ((segid  A and resid  57 and name HN   ))    1.80  0.00  2.10
 assign ((segid  A and resid  57 and name HA   ))   ((segid  A and resid  60 and name HB*  ))    1.80  0.00  2.23
 assign ((segid  A and resid  57 and name HB*  ))   ((segid  A and resid  58 and name HN   ))    1.80  0.00  2.13
 assign ((segid  A and resid  57 and name HB*  ))   ((segid  A and resid  60 and name HB*  ))    1.80  0.00  3.42
 assign ((segid  A and resid  57 and name HB*  ))   ((segid  A and resid  60 and name HN   ))    1.80  0.00  3.80
 assign ((segid  A and resid  57 and name HN   ))   ((segid  A and resid  57 and name HB*  ))    1.80  0.00  1.59
 assign ((segid  A and resid  57 and name HN   ))   ((segid  A and resid  58 and name HN   ))    1.80  0.00  2.40
 assign ((segid  A and resid  58 and name HA   ))   ((segid  A and resid  61 and name HB*  ))    1.80  0.00  1.62
 assign ((segid  A and resid  58 and name HA   ))   ((segid  A and resid  61 and name HN   ))    1.80  0.00  2.93
 assign ((segid  A and resid  58 and name HN   ))   ((segid  A and resid  58 and name HB*  ))    1.80  0.00  2.02
 assign ((segid  A and resid  58 and name HN   ))   ((segid  A and resid  59 and name HD1* ))    1.80  0.00  4.25
 assign ((segid  A and resid  58 and name HN   ))   ((segid  A and resid  59 and name HN   ))    1.80  0.00  2.61
 assign ((segid  A and resid  59 and name HA   ))   ((segid  A and resid  59 and name HD1* ))    1.80  0.00  2.73
 assign ((segid  A and resid  59 and name HA   ))   ((segid  A and resid  59 and name HD2* ))    1.80  0.00  1.92
 assign ((segid  A and resid  59 and name HA   ))   ((segid  A and resid  62 and name HB*  ))    1.80  0.00  3.67
 assign ((segid  A and resid  59 and name HA   ))   ((segid  A and resid  62 and name HD1* ))    1.80  0.00  2.47
 assign ((segid  A and resid  59 and name HA   ))   ((segid  A and resid  62 and name HD2* ))    1.80  0.00  4.72
 assign ((segid  A and resid  59 and name HA   ))   ((segid  A and resid  62 and name HN   ))    1.80  0.00  3.70
 assign ((segid  A and resid  59 and name HA   ))   ((segid  A and resid  68 and name HG2* ))    1.80  0.00  4.25
 assign ((segid  A and resid  59 and name HB*  ))   ((segid  A and resid  59 and name HD1* ))    1.80  0.00  1.51
 assign ((segid  A and resid  59 and name HB*  ))   ((segid  A and resid  60 and name HN   ))    1.80  0.00  2.27
 assign ((segid  A and resid  59 and name HB*  ))   ((segid  A and resid  79 and name HE*  ))    1.80  0.00  2.52
 assign ((segid  A and resid  59 and name HD1* ))   ((segid  A and resid  60 and name HN   ))    1.80  0.00  3.70
 assign ((segid  A and resid  59 and name HD1* ))   ((segid  A and resid  79 and name HD*  ))    1.80  0.00  3.03
 assign ((segid  A and resid  59 and name HD1* ))   ((segid  A and resid  79 and name HE*  ))    1.80  0.00  2.84
 assign ((segid  A and resid  59 and name HD2* ))   ((segid  A and resid  60 and name HN   ))    1.80  0.00  3.88
 assign ((segid  A and resid  59 and name HD2* ))   ((segid  A and resid  68 and name HG2* ))    1.80  0.00  2.40
 assign ((segid  A and resid  59 and name HD2* ))   ((segid  A and resid  79 and name HB*  ))    1.80  0.00  2.61
 assign ((segid  A and resid  59 and name HD2* ))   ((segid  A and resid  79 and name HD*  ))    1.80  0.00  2.62
 assign ((segid  A and resid  59 and name HD2* ))   ((segid  A and resid  79 and name HE*  ))    1.80  0.00  3.26
 assign ((segid  A and resid  59 and name HN   ))   ((segid  A and resid  59 and name HD1* ))    1.80  0.00  2.43
 assign ((segid  A and resid  59 and name HN   ))   ((segid  A and resid  59 and name HD2* ))    1.80  0.00  2.67
 assign ((segid  A and resid  59 and name HN   ))   ((segid  A and resid  59 and name HG   ))    1.80  0.00  2.63
 assign ((segid  A and resid  59 and name HN   ))   ((segid  A and resid  60 and name HB*  ))    1.80  0.00  3.37
 assign ((segid  A and resid  59 and name HN   ))   ((segid  A and resid  60 and name HN   ))    1.80  0.00  2.39
 assign ((segid  A and resid  60 and name HA   ))   ((segid  A and resid  60 and name HE2* ))    1.80  0.00  3.17
 assign ((segid  A and resid  60 and name HA   ))   ((segid  A and resid  60 and name HG*  ))    1.80  0.00  1.69
 assign ((segid  A and resid  60 and name HA   ))   ((segid  A and resid  63 and name HB*  ))    1.80  0.00  2.81
 assign ((segid  A and resid  60 and name HA   ))   ((segid  A and resid  63 and name HG*  ))    1.80  0.00  2.93
 assign ((segid  A and resid  60 and name HA   ))   ((segid  A and resid  63 and name HN   ))    1.80  0.00  3.02
 assign ((segid  A and resid  60 and name HB*  ))   ((segid  A and resid  61 and name HA   ))    1.80  0.00  3.12
 assign ((segid  A and resid  60 and name HB*  ))   ((segid  A and resid  61 and name HB*  ))    1.80  0.00  3.64
 assign ((segid  A and resid  60 and name HB*  ))   ((segid  A and resid  61 and name HN   ))    1.80  0.00  2.16
 assign ((segid  A and resid  60 and name HG*  ))   ((segid  A and resid  61 and name HA   ))    1.80  0.00  4.00
 assign ((segid  A and resid  60 and name HG*  ))   ((segid  A and resid  61 and name HN   ))    1.80  0.00  3.44
 assign ((segid  A and resid  60 and name HN   ))   ((segid  A and resid  60 and name HB*  ))    1.80  0.00  1.72
 assign ((segid  A and resid  60 and name HN   ))   ((segid  A and resid  60 and name HG*  ))    1.80  0.00  2.74
 assign ((segid  A and resid  60 and name HN   ))   ((segid  A and resid  61 and name HB*  ))    1.80  0.00  4.05
 assign ((segid  A and resid  60 and name HN   ))   ((segid  A and resid  61 and name HN   ))    1.80  0.00  2.33
 assign ((segid  A and resid  61 and name HB*  ))   ((segid  A and resid  62 and name HN   ))    1.80  0.00  2.49
 assign ((segid  A and resid  61 and name HB*  ))   ((segid  A and resid  64 and name HB*  ))    1.80  0.00  4.25
 assign ((segid  A and resid  61 and name HN   ))   ((segid  A and resid  61 and name HB*  ))    1.80  0.00  1.45
 assign ((segid  A and resid  61 and name HN   ))   ((segid  A and resid  62 and name HN   ))    1.80  0.00  2.35
 assign ((segid  A and resid  62 and name HA   ))   ((segid  A and resid  62 and name HD1* ))    1.80  0.00  2.77
 assign ((segid  A and resid  62 and name HA   ))   ((segid  A and resid  67 and name HD2* ))    1.80  0.00  3.33
 assign ((segid  A and resid  62 and name HA   ))   ((segid  A and resid  68 and name HG1* ))    1.80  0.00  4.25
 assign ((segid  A and resid  62 and name HB*  ))   ((segid  A and resid  62 and name HD2* ))    1.80  0.00  2.79
 assign ((segid  A and resid  62 and name HB*  ))   ((segid  A and resid  63 and name HN   ))    1.80  0.00  2.64
 assign ((segid  A and resid  62 and name HB*  ))   ((segid  A and resid  67 and name HD2* ))    1.80  0.00  3.56
 assign ((segid  A and resid  62 and name HB*  ))   ((segid  A and resid  68 and name HG1* ))    1.80  0.00  2.50
 assign ((segid  A and resid  62 and name HB1  ))   ((segid  A and resid  62 and name HD1* ))    1.80  0.00  2.68
 assign ((segid  A and resid  62 and name HB1  ))   ((segid  A and resid  68 and name HG2* ))    1.80  0.00  3.52
 assign ((segid  A and resid  62 and name HB2  ))   ((segid  A and resid  62 and name HD1* ))    1.80  0.00  2.68
 assign ((segid  A and resid  62 and name HB2  ))   ((segid  A and resid  68 and name HG2* ))    1.80  0.00  3.52
 assign ((segid  A and resid  62 and name HD1* ))   ((segid  A and resid  63 and name HN   ))    1.80  0.00  3.28
 assign ((segid  A and resid  62 and name HN   ))   ((segid  A and resid  62 and name HD1* ))    1.80  0.00  2.66
 assign ((segid  A and resid  62 and name HN   ))   ((segid  A and resid  62 and name HD2* ))    1.80  0.00  3.05
 assign ((segid  A and resid  62 and name HN   ))   ((segid  A and resid  62 and name HG   ))    1.80  0.00  2.49
 assign ((segid  A and resid  62 and name HN   ))   ((segid  A and resid  63 and name HN   ))    1.80  0.00  2.72
 assign ((segid  A and resid  63 and name HA   ))   ((segid  A and resid  63 and name HG*  ))    1.80  0.00  2.14
 assign ((segid  A and resid  63 and name HA   ))   ((segid  A and resid  67 and name HN   ))    1.80  0.00  3.44
 assign ((segid  A and resid  63 and name HA   ))   ((segid  A and resid  68 and name HG2* ))    1.80  0.00  2.14
 assign ((segid  A and resid  63 and name HA   ))   ((segid  A and resid  68 and name HN   ))    1.80  0.00  2.48
 assign ((segid  A and resid  63 and name HB*  ))   ((segid  A and resid  63 and name HE*  ))    1.80  0.00  2.13
 assign ((segid  A and resid  63 and name HB*  ))   ((segid  A and resid  64 and name HN   ))    1.80  0.00  2.27
 assign ((segid  A and resid  63 and name HB*  ))   ((segid  A and resid  68 and name HG2* ))    1.80  0.00  2.10
 assign ((segid  A and resid  63 and name HB*  ))   ((segid  A and resid  68 and name HN   ))    1.80  0.00  3.48
 assign ((segid  A and resid  63 and name HB*  ))   ((segid  A and resid  79 and name HE*  ))    1.80  0.00  2.31
 assign ((segid  A and resid  63 and name HB*  ))   ((segid  A and resid  69 and name HA   ))    1.80  0.00  3.37
 assign ((segid  A and resid  63 and name HD*  ))   ((segid  A and resid  70 and name HB*  ))    1.80  0.00  3.12
 assign ((segid  A and resid  63 and name HD*  ))   ((segid  A and resid  70 and name HN   ))    1.80  0.00  3.92
 assign ((segid  A and resid  63 and name HD*  ))   ((segid  A and resid  79 and name HE*  ))    1.80  0.00  2.64
 assign ((segid  A and resid  63 and name HE*  ))   ((segid  A and resid  69 and name HA   ))    1.80  0.00  2.96
 assign ((segid  A and resid  63 and name HE*  ))   ((segid  A and resid  70 and name HB*  ))    1.80  0.00  1.61
 assign ((segid  A and resid  63 and name HE*  ))   ((segid  A and resid  70 and name HN   ))    1.80  0.00  2.38
 assign ((segid  A and resid  63 and name HE*  ))   ((segid  A and resid  79 and name HE*  ))    1.80  0.00  2.42
 assign ((segid  A and resid  63 and name HG*  ))   ((segid  A and resid  64 and name HA   ))    1.80  0.00  3.30
 assign ((segid  A and resid  63 and name HG*  ))   ((segid  A and resid  64 and name HN   ))    1.80  0.00  2.66
 assign ((segid  A and resid  63 and name HG*  ))   ((segid  A and resid  68 and name HG2* ))    1.80  0.00  2.79
 assign ((segid  A and resid  63 and name HG*  ))   ((segid  A and resid  68 and name HN   ))    1.80  0.00  4.25
 assign ((segid  A and resid  63 and name HG*  ))   ((segid  A and resid  70 and name HB*  ))    1.80  0.00  3.71
 assign ((segid  A and resid  63 and name HG*  ))   ((segid  A and resid  79 and name HE*  ))    1.80  0.00  3.39
 assign ((segid  A and resid  63 and name HN   ))   ((segid  A and resid  63 and name HD*  ))    1.80  0.00  3.60
 assign ((segid  A and resid  63 and name HN   ))   ((segid  A and resid  63 and name HG*  ))    1.80  0.00  2.63
 assign ((segid  A and resid  63 and name HN   ))   ((segid  A and resid  68 and name HG2* ))    1.80  0.00  2.69
 assign ((segid  A and resid  64 and name HA   ))   ((segid  A and resid  66 and name HN   ))    1.80  0.00  3.11
 assign ((segid  A and resid  64 and name HB*  ))   ((segid  A and resid  65 and name HA*  ))    1.80  0.00  3.51
 assign ((segid  A and resid  64 and name HB*  ))   ((segid  A and resid  65 and name HN   ))    1.80  0.00  2.48
 assign ((segid  A and resid  64 and name HN   ))   ((segid  A and resid  64 and name HB*  ))    1.80  0.00  1.61
 assign ((segid  A and resid  64 and name HN   ))   ((segid  A and resid  65 and name HN   ))    1.80  0.00  2.38
 assign ((segid  A and resid  65 and name HA*  ))   ((segid  A and resid  67 and name HB*  ))    1.80  0.00  3.69
 assign ((segid  A and resid  65 and name HN   ))   ((segid  A and resid  66 and name HN   ))    1.80  0.00  2.42
 assign ((segid  A and resid  65 and name HN   ))   ((segid  A and resid  67 and name HN   ))    1.80  0.00  3.14
 assign ((segid  A and resid  66 and name HA*  ))   ((segid  A and resid  67 and name HD2* ))    1.80  0.00  3.70
 assign ((segid  A and resid  66 and name HN   ))   ((segid  A and resid  67 and name HB*  ))    1.80  0.00  3.23
 assign ((segid  A and resid  66 and name HN   ))   ((segid  A and resid  67 and name HN   ))    1.80  0.00  2.56
 assign ((segid  A and resid  67 and name HA   ))   ((segid  A and resid  67 and name HD1* ))    1.80  0.00  2.12
 assign ((segid  A and resid  67 and name HA   ))   ((segid  A and resid  67 and name HD2* ))    1.80  0.00  2.85
 assign ((segid  A and resid  67 and name HA   ))   ((segid  A and resid  82 and name HB*  ))    1.80  0.00  2.70
 assign ((segid  A and resid  67 and name HA   ))   ((segid  A and resid  86 and name HG1* ))    1.80  0.00  3.40
 assign ((segid  A and resid  67 and name HA   ))   ((segid  A and resid  86 and name HG2* ))    1.80  0.00  1.96
 assign ((segid  A and resid  67 and name HB*  ))   ((segid  A and resid  67 and name HD1* ))    1.80  0.00  1.87
 assign ((segid  A and resid  67 and name HB*  ))   ((segid  A and resid  67 and name HD2* ))    1.80  0.00  1.87
 assign ((segid  A and resid  67 and name HB*  ))   ((segid  A and resid  68 and name HA   ))    1.80  0.00  3.70
 assign ((segid  A and resid  67 and name HB*  ))   ((segid  A and resid  68 and name HG1* ))    1.80  0.00  2.46
 assign ((segid  A and resid  67 and name HB*  ))   ((segid  A and resid  68 and name HG2* ))    1.80  0.00  2.95
 assign ((segid  A and resid  67 and name HB*  ))   ((segid  A and resid  68 and name HN   ))    1.80  0.00  2.49
 assign ((segid  A and resid  67 and name HD1* ))   ((segid  A and resid  86 and name HA   ))    1.80  0.00  3.09
 assign ((segid  A and resid  67 and name HD1* ))   ((segid  A and resid  86 and name HG1* ))    1.80  0.00  2.20
 assign ((segid  A and resid  67 and name HD2* ))   ((segid  A and resid  68 and name HN   ))    1.80  0.00  4.25
 assign ((segid  A and resid  67 and name HN   ))   ((segid  A and resid  67 and name HD1* ))    1.80  0.00  2.81
 assign ((segid  A and resid  67 and name HN   ))   ((segid  A and resid  67 and name HD2* ))    1.80  0.00  2.57
 assign ((segid  A and resid  67 and name HN   ))   ((segid  A and resid  68 and name HG2* ))    1.80  0.00  3.30
 assign ((segid  A and resid  67 and name HN   ))   ((segid  A and resid  68 and name HN   ))    1.80  0.00  2.18
 assign ((segid  A and resid  68 and name HA   ))   ((segid  A and resid  68 and name HG1* ))    1.80  0.00  2.28
 assign ((segid  A and resid  68 and name HA   ))   ((segid  A and resid  69 and name HB*  ))    1.80  0.00  4.20
 assign ((segid  A and resid  68 and name HA   ))   ((segid  A and resid  80 and name HN   ))    1.80  0.00  3.69
 assign ((segid  A and resid  68 and name HA   ))   ((segid  A and resid  81 and name HA   ))    1.80  0.00  2.78
 assign ((segid  A and resid  68 and name HA   ))   ((segid  A and resid  81 and name HG2* ))    1.80  0.00  3.13
 assign ((segid  A and resid  68 and name HA   ))   ((segid  A and resid  82 and name HB*  ))    1.80  0.00  2.47
 assign ((segid  A and resid  68 and name HA   ))   ((segid  A and resid  82 and name HN   ))    1.80  0.00  2.88
 assign ((segid  A and resid  68 and name HB   ))   ((segid  A and resid  69 and name HN   ))    1.80  0.00  2.41
 assign ((segid  A and resid  68 and name HB   ))   ((segid  A and resid  80 and name HN   ))    1.80  0.00  3.35
 assign ((segid  A and resid  68 and name HB   ))   ((segid  A and resid  81 and name HA   ))    1.80  0.00  3.71
 assign ((segid  A and resid  68 and name HG1* ))   ((segid  A and resid  69 and name HB*  ))    1.80  0.00  4.25
 assign ((segid  A and resid  68 and name HG1* ))   ((segid  A and resid  69 and name HN   ))    1.80  0.00  2.56
 assign ((segid  A and resid  68 and name HG1* ))   ((segid  A and resid  80 and name HN   ))    1.80  0.00  3.95
 assign ((segid  A and resid  68 and name HG1* ))   ((segid  A and resid  81 and name HA   ))    1.80  0.00  2.43
 assign ((segid  A and resid  68 and name HG1* ))   ((segid  A and resid  82 and name HN   ))    1.80  0.00  3.01
 assign ((segid  A and resid  68 and name HG1* ))   ((segid  A and resid  86 and name HG1* ))    1.80  0.00  2.77
 assign ((segid  A and resid  68 and name HG2* ))   ((segid  A and resid  69 and name HA   ))    1.80  0.00  3.26
 assign ((segid  A and resid  68 and name HG2* ))   ((segid  A and resid  69 and name HB*  ))    1.80  0.00  4.25
 assign ((segid  A and resid  68 and name HG2* ))   ((segid  A and resid  69 and name HN   ))    1.80  0.00  3.08
 assign ((segid  A and resid  68 and name HG2* ))   ((segid  A and resid  79 and name HD*  ))    1.80  0.00  2.25
 assign ((segid  A and resid  68 and name HG2* ))   ((segid  A and resid  79 and name HE*  ))    1.80  0.00  2.80
 assign ((segid  A and resid  68 and name HG2* ))   ((segid  A and resid  80 and name HN   ))    1.80  0.00  4.25
 assign ((segid  A and resid  68 and name HN   ))   ((segid  A and resid  68 and name HG1* ))    1.80  0.00  3.04
 assign ((segid  A and resid  68 and name HN   ))   ((segid  A and resid  68 and name HG2* ))    1.80  0.00  2.03
 assign ((segid  A and resid  68 and name HN   ))   ((segid  A and resid  82 and name HB*  ))    1.80  0.00  2.83
 assign ((segid  A and resid  68 and name HN   ))   ((segid  A and resid  86 and name HG1* ))    1.80  0.00  3.70
 assign ((segid  A and resid  69 and name HA   ))   ((segid  A and resid  69 and name HG1  ))    1.80  0.00  2.58
 assign ((segid  A and resid  69 and name HA   ))   ((segid  A and resid  69 and name HG2  ))    1.80  0.00  2.58
 assign ((segid  A and resid  69 and name HA   ))   ((segid  A and resid  70 and name HB*  ))    1.80  0.00  3.08
 assign ((segid  A and resid  69 and name HA   ))   ((segid  A and resid  70 and name HN   ))    1.80  0.00  1.57
 assign ((segid  A and resid  69 and name HB1  ))   ((segid  A and resid  70 and name HB*  ))    1.80  0.00  4.25
 assign ((segid  A and resid  69 and name HB1  ))   ((segid  A and resid  70 and name HN   ))    1.80  0.00  2.77
 assign ((segid  A and resid  69 and name HB1  ))   ((segid  A and resid  82 and name HB*  ))    1.80  0.00  4.02
 assign ((segid  A and resid  69 and name HB2  ))   ((segid  A and resid  70 and name HB*  ))    1.80  0.00  4.25
 assign ((segid  A and resid  69 and name HB2  ))   ((segid  A and resid  70 and name HN   ))    1.80  0.00  2.77
 assign ((segid  A and resid  69 and name HB2  ))   ((segid  A and resid  82 and name HB*  ))    1.80  0.00  4.02
 assign ((segid  A and resid  69 and name HG*  ))   ((segid  A and resid  70 and name HN   ))    1.80  0.00  3.05
 assign ((segid  A and resid  69 and name HG1  ))   ((segid  A and resid  82 and name HA   ))    1.80  0.00  2.71
 assign ((segid  A and resid  69 and name HG1  ))   ((segid  A and resid  82 and name HB*  ))    1.80  0.00  1.94
 assign ((segid  A and resid  69 and name HG2  ))   ((segid  A and resid  82 and name HA   ))    1.80  0.00  2.71
 assign ((segid  A and resid  69 and name HG2  ))   ((segid  A and resid  82 and name HB*  ))    1.80  0.00  1.94
 assign ((segid  A and resid  69 and name HN   ))   ((segid  A and resid  69 and name HG*  ))    1.80  0.00  2.96
 assign ((segid  A and resid  69 and name HN   ))   ((segid  A and resid  80 and name HN   ))    1.80  0.00  2.70
 assign ((segid  A and resid  69 and name HN   ))   ((segid  A and resid  81 and name HA   ))    1.80  0.00  3.23
 assign ((segid  A and resid  69 and name HN   ))   ((segid  A and resid  82 and name HB*  ))    1.80  0.00  3.14
 assign ((segid  A and resid  69 and name HN   ))   ((segid  A and resid  82 and name HN   ))    1.80  0.00  3.67
 assign ((segid  A and resid  70 and name HA   ))   ((segid  A and resid  71 and name HN   ))    1.80  0.00  1.92
 assign ((segid  A and resid  70 and name HA   ))   ((segid  A and resid  79 and name HA   ))    1.80  0.00  1.68
 assign ((segid  A and resid  70 and name HA   ))   ((segid  A and resid  80 and name HN   ))    1.80  0.00  3.23
 assign ((segid  A and resid  70 and name HB*  ))   ((segid  A and resid  71 and name HA   ))    1.80  0.00  3.46
 assign ((segid  A and resid  70 and name HB*  ))   ((segid  A and resid  71 and name HN   ))    1.80  0.00  2.19
 assign ((segid  A and resid  70 and name HB*  ))   ((segid  A and resid  77 and name HB*  ))    1.80  0.00  3.47
 assign ((segid  A and resid  70 and name HB*  ))   ((segid  A and resid  77 and name HE21 ))    1.80  0.00  2.95
 assign ((segid  A and resid  70 and name HB*  ))   ((segid  A and resid  77 and name HE22 ))    1.80  0.00  2.95
 assign ((segid  A and resid  70 and name HB*  ))   ((segid  A and resid  77 and name HG*  ))    1.80  0.00  4.07
 assign ((segid  A and resid  70 and name HB*  ))   ((segid  A and resid  79 and name HA   ))    1.80  0.00  2.68
 assign ((segid  A and resid  70 and name HB*  ))   ((segid  A and resid  79 and name HD*  ))    1.80  0.00  3.01
 assign ((segid  A and resid  70 and name HB*  ))   ((segid  A and resid  79 and name HE*  ))    1.80  0.00  1.92
 assign ((segid  A and resid  70 and name HN   ))   ((segid  A and resid  70 and name HB*  ))    1.80  0.00  1.58
 assign ((segid  A and resid  71 and name HA   ))   ((segid  A and resid  72 and name HB*  ))    1.80  0.00  3.30
 assign ((segid  A and resid  71 and name HA   ))   ((segid  A and resid  72 and name HN   ))    1.80  0.00  1.61
 assign ((segid  A and resid  71 and name HB*  ))   ((segid  A and resid  71 and name HE   ))    1.80  0.00  3.19
 assign ((segid  A and resid  71 and name HB*  ))   ((segid  A and resid  72 and name HN   ))    1.80  0.00  2.60
 assign ((segid  A and resid  71 and name HB*  ))   ((segid  A and resid  79 and name HA   ))    1.80  0.00  4.07
 assign ((segid  A and resid  71 and name HD*  ))   ((segid  A and resid  71 and name HH2* ))    1.80  0.00  3.05
 assign ((segid  A and resid  71 and name HG*  ))   ((segid  A and resid  72 and name HN   ))    1.80  0.00  3.52
 assign ((segid  A and resid  71 and name HG*  ))   ((segid  A and resid  78 and name HB*  ))    1.80  0.00  3.21
 assign ((segid  A and resid  71 and name HN   ))   ((segid  A and resid  71 and name HG*  ))    1.80  0.00  2.89
 assign ((segid  A and resid  71 and name HN   ))   ((segid  A and resid  78 and name HN   ))    1.80  0.00  2.67
 assign ((segid  A and resid  71 and name HN   ))   ((segid  A and resid  79 and name HA   ))    1.80  0.00  3.33
 assign ((segid  A and resid  72 and name HA   ))   ((segid  A and resid  72 and name HD*  ))    1.80  0.00  2.69
 assign ((segid  A and resid  72 and name HA   ))   ((segid  A and resid  72 and name HG1  ))    1.80  0.00  2.63
 assign ((segid  A and resid  72 and name HA   ))   ((segid  A and resid  72 and name HG2  ))    1.80  0.00  2.63
 assign ((segid  A and resid  72 and name HA   ))   ((segid  A and resid  73 and name HN   ))    1.80  0.00  1.67
 assign ((segid  A and resid  72 and name HA   ))   ((segid  A and resid  77 and name HA   ))    1.80  0.00  2.91
 assign ((segid  A and resid  72 and name HA   ))   ((segid  A and resid  77 and name HG*  ))    1.80  0.00  3.09
 assign ((segid  A and resid  72 and name HA   ))   ((segid  A and resid  78 and name HN   ))    1.80  0.00  2.94
 assign ((segid  A and resid  72 and name HB*  ))   ((segid  A and resid  73 and name HN   ))    1.80  0.00  2.74
 assign ((segid  A and resid  72 and name HB1  ))   ((segid  A and resid  72 and name HD*  ))    1.80  0.00  2.22
 assign ((segid  A and resid  72 and name HB2  ))   ((segid  A and resid  72 and name HD*  ))    1.80  0.00  2.22
 assign ((segid  A and resid  72 and name HD*  ))   ((segid  A and resid  73 and name HN   ))    1.80  0.00  4.25
 assign ((segid  A and resid  72 and name HD*  ))   ((segid  A and resid  77 and name HG*  ))    1.80  0.00  2.54
 assign ((segid  A and resid  72 and name HG*  ))   ((segid  A and resid  73 and name HN   ))    1.80  0.00  3.61
 assign ((segid  A and resid  72 and name HN   ))   ((segid  A and resid  72 and name HB*  ))    1.80  0.00  1.49
 assign ((segid  A and resid  72 and name HN   ))   ((segid  A and resid  72 and name HD*  ))    1.80  0.00  4.03
 assign ((segid  A and resid  72 and name HN   ))   ((segid  A and resid  72 and name HG*  ))    1.80  0.00  3.29
 assign ((segid  A and resid  73 and name HA   ))   ((segid  A and resid  73 and name HG*  ))    1.80  0.00  1.95
 assign ((segid  A and resid  73 and name HB*  ))   ((segid  A and resid  76 and name HG*  ))    1.80  0.00  4.06
 assign ((segid  A and resid  73 and name HB*  ))   ((segid  A and resid  78 and name HD*  ))    1.80  0.00  1.98
 assign ((segid  A and resid  73 and name HB*  ))   ((segid  A and resid  78 and name HE*  ))    1.80  0.00  2.23
 assign ((segid  A and resid  73 and name HG*  ))   ((segid  A and resid  78 and name HD*  ))    1.80  0.00  3.14
 assign ((segid  A and resid  73 and name HG*  ))   ((segid  A and resid  78 and name HE*  ))    1.80  0.00  3.25
 assign ((segid  A and resid  73 and name HN   ))   ((segid  A and resid  73 and name HG*  ))    1.80  0.00  2.78
 assign ((segid  A and resid  73 and name HN   ))   ((segid  A and resid  76 and name HG*  ))    1.80  0.00  4.75
 assign ((segid  A and resid  73 and name HN   ))   ((segid  A and resid  77 and name HA   ))    1.80  0.00  2.69
 assign ((segid  A and resid  73 and name HN   ))   ((segid  A and resid  78 and name HD*  ))    1.80  0.00  3.71
 assign ((segid  A and resid  74 and name HA*  ))   ((segid  A and resid  75 and name HB   ))    1.80  0.00  3.46
 assign ((segid  A and resid  74 and name HA*  ))   ((segid  A and resid  76 and name HN   ))    1.80  0.00  2.99
 assign ((segid  A and resid  75 and name HA   ))   ((segid  A and resid  75 and name HG2* ))    1.80  0.00  1.73
 assign ((segid  A and resid  75 and name HG2* ))   ((segid  A and resid  76 and name HN   ))    1.80  0.00  2.88
 assign ((segid  A and resid  75 and name HN   ))   ((segid  A and resid  75 and name HG2* ))    1.80  0.00  3.53
 assign ((segid  A and resid  75 and name HN   ))   ((segid  A and resid  76 and name HG*  ))    1.80  0.00  4.13
 assign ((segid  A and resid  75 and name HN   ))   ((segid  A and resid  76 and name HN   ))    1.80  0.00  2.27
 assign ((segid  A and resid  76 and name HA   ))   ((segid  A and resid  76 and name HD*  ))    1.80  0.00  3.14
 assign ((segid  A and resid  76 and name HA   ))   ((segid  A and resid  76 and name HG1  ))    1.80  0.00  2.58
 assign ((segid  A and resid  76 and name HA   ))   ((segid  A and resid  76 and name HG2  ))    1.80  0.00  2.58
 assign ((segid  A and resid  76 and name HA   ))   ((segid  A and resid  77 and name HN   ))    1.80  0.00  1.46
 assign ((segid  A and resid  76 and name HB*  ))   ((segid  A and resid  78 and name HD*  ))    1.80  0.00  4.25
 assign ((segid  A and resid  76 and name HB*  ))   ((segid  A and resid  78 and name HE*  ))    1.80  0.00  4.25
 assign ((segid  A and resid  76 and name HB1  ))   ((segid  A and resid  76 and name HD*  ))    1.80  0.00  2.50
 assign ((segid  A and resid  76 and name HB1  ))   ((segid  A and resid  77 and name HN   ))    1.80  0.00  3.16
 assign ((segid  A and resid  76 and name HB2  ))   ((segid  A and resid  76 and name HD*  ))    1.80  0.00  2.50
 assign ((segid  A and resid  76 and name HB2  ))   ((segid  A and resid  77 and name HN   ))    1.80  0.00  3.16
 assign ((segid  A and resid  76 and name HD*  ))   ((segid  A and resid  77 and name HN   ))    1.80  0.00  3.00
 assign ((segid  A and resid  76 and name HD*  ))   ((segid  A and resid  78 and name HE*  ))    1.80  0.00  2.29
 assign ((segid  A and resid  76 and name HG*  ))   ((segid  A and resid  77 and name HN   ))    1.80  0.00  2.63
 assign ((segid  A and resid  76 and name HG*  ))   ((segid  A and resid  78 and name HE*  ))    1.80  0.00  3.47
 assign ((segid  A and resid  76 and name HN   ))   ((segid  A and resid  76 and name HD*  ))    1.80  0.00  2.94
 assign ((segid  A and resid  76 and name HN   ))   ((segid  A and resid  76 and name HG1  ))    1.80  0.00  2.45
 assign ((segid  A and resid  76 and name HN   ))   ((segid  A and resid  76 and name HG2  ))    1.80  0.00  2.45
 assign ((segid  A and resid  76 and name HN   ))   ((segid  A and resid  77 and name HN   ))    1.80  0.00  3.17
 assign ((segid  A and resid  77 and name HA   ))   ((segid  A and resid  77 and name HG1  ))    1.80  0.00  2.43
 assign ((segid  A and resid  77 and name HA   ))   ((segid  A and resid  77 and name HG2  ))    1.80  0.00  2.43
 assign ((segid  A and resid  77 and name HA   ))   ((segid  A and resid  78 and name HN   ))    1.80  0.00  1.99
 assign ((segid  A and resid  77 and name HB*  ))   ((segid  A and resid  77 and name HE2* ))    1.80  0.00  3.17
 assign ((segid  A and resid  77 and name HB*  ))   ((segid  A and resid  78 and name HN   ))    1.80  0.00  2.68
 assign ((segid  A and resid  77 and name HB*  ))   ((segid  A and resid  79 and name HE*  ))    1.80  0.00  2.88
 assign ((segid  A and resid  77 and name HG*  ))   ((segid  A and resid  77 and name HE2* ))    1.80  0.00  1.63
 assign ((segid  A and resid  77 and name HG*  ))   ((segid  A and resid  78 and name HN   ))    1.80  0.00  3.57
 assign ((segid  A and resid  77 and name HG*  ))   ((segid  A and resid  79 and name HE*  ))    1.80  0.00  3.11
 assign ((segid  A and resid  77 and name HN   ))   ((segid  A and resid  77 and name HB*  ))    1.80  0.00  1.79
 assign ((segid  A and resid  77 and name HN   ))   ((segid  A and resid  77 and name HG*  ))    1.80  0.00  2.29
 assign ((segid  A and resid  78 and name HB*  ))   ((segid  A and resid  79 and name HN   ))    1.80  0.00  2.77
 assign ((segid  A and resid  78 and name HN   ))   ((segid  A and resid  78 and name HD*  ))    1.80  0.00  2.77
 assign ((segid  A and resid  79 and name HA   ))   ((segid  A and resid  79 and name HD*  ))    1.80  0.00  3.46
 assign ((segid  A and resid  79 and name HA   ))   ((segid  A and resid  80 and name HG*  ))    1.80  0.00  4.07
 assign ((segid  A and resid  79 and name HN   ))   ((segid  A and resid  79 and name HD*  ))    1.80  0.00  2.93
 assign ((segid  A and resid  80 and name HA   ))   ((segid  A and resid  81 and name HG1* ))    1.80  0.00  4.05
 assign ((segid  A and resid  80 and name HB*  ))   ((segid  A and resid  80 and name HE   ))    1.80  0.00  2.74
 assign ((segid  A and resid  80 and name HB*  ))   ((segid  A and resid  81 and name HN   ))    1.80  0.00  2.74
 assign ((segid  A and resid  80 and name HN   ))   ((segid  A and resid  80 and name HD*  ))    1.80  0.00  3.58
 assign ((segid  A and resid  80 and name HN   ))   ((segid  A and resid  80 and name HG*  ))    1.80  0.00  2.47
 assign ((segid  A and resid  81 and name HA   ))   ((segid  A and resid  81 and name HG2* ))    1.80  0.00  1.69
 assign ((segid  A and resid  81 and name HA   ))   ((segid  A and resid  82 and name HB*  ))    1.80  0.00  2.68
 assign ((segid  A and resid  81 and name HA   ))   ((segid  A and resid  86 and name HB   ))    1.80  0.00  4.25
 assign ((segid  A and resid  81 and name HB   ))   ((segid  A and resid  82 and name HN   ))    1.80  0.00  3.59
 assign ((segid  A and resid  81 and name HD1* ))   ((segid  A and resid  82 and name HN   ))    1.80  0.00  3.22
 assign ((segid  A and resid  81 and name HD1* ))   ((segid  A and resid  86 and name HB   ))    1.80  0.00  3.01
 assign ((segid  A and resid  81 and name HD1* ))   ((segid  A and resid  87 and name HA   ))    1.80  0.00  2.27
 assign ((segid  A and resid  81 and name HD1* ))   ((segid  A and resid  87 and name HB*  ))    1.80  0.00  3.11
 assign ((segid  A and resid  81 and name HD1* ))   ((segid  A and resid  87 and name HN   ))    1.80  0.00  3.30
 assign ((segid  A and resid  81 and name HD1* ))   ((segid  A and resid  90 and name HD*  ))    1.80  0.00  3.51
 assign ((segid  A and resid  81 and name HG1* ))   ((segid  A and resid  82 and name HN   ))    1.80  0.00  3.45
 assign ((segid  A and resid  81 and name HG1* ))   ((segid  A and resid  87 and name HA   ))    1.80  0.00  2.81
 assign ((segid  A and resid  81 and name HG1* ))   ((segid  A and resid  87 and name HB*  ))    1.80  0.00  3.34
 assign ((segid  A and resid  81 and name HG2* ))   ((segid  A and resid  81 and name HG1* ))    1.80  0.00  1.52
 assign ((segid  A and resid  81 and name HG2* ))   ((segid  A and resid  82 and name HN   ))    1.80  0.00  2.09
 assign ((segid  A and resid  81 and name HG2* ))   ((segid  A and resid  83 and name HA*  ))    1.80  0.00  2.81
 assign ((segid  A and resid  81 and name HG2* ))   ((segid  A and resid  83 and name HN   ))    1.80  0.00  1.74
 assign ((segid  A and resid  81 and name HG2* ))   ((segid  A and resid  86 and name HA   ))    1.80  0.00  3.21
 assign ((segid  A and resid  81 and name HG2* ))   ((segid  A and resid  86 and name HB   ))    1.80  0.00  1.79
 assign ((segid  A and resid  81 and name HG2* ))   ((segid  A and resid  86 and name HG1* ))    1.80  0.00  1.36
 assign ((segid  A and resid  81 and name HG2* ))   ((segid  A and resid  87 and name HA   ))    1.80  0.00  2.15
 assign ((segid  A and resid  81 and name HG2* ))   ((segid  A and resid  87 and name HB*  ))    1.80  0.00  1.81
 assign ((segid  A and resid  81 and name HG2* ))   ((segid  A and resid  87 and name HN   ))    1.80  0.00  2.12
 assign ((segid  A and resid  81 and name HG2* ))   ((segid  A and resid  88 and name HN   ))    1.80  0.00  3.58
 assign ((segid  A and resid  81 and name HN   ))   ((segid  A and resid  81 and name HB   ))    1.80  0.00  2.16
 assign ((segid  A and resid  81 and name HN   ))   ((segid  A and resid  81 and name HD1* ))    1.80  0.00  3.11
 assign ((segid  A and resid  81 and name HN   ))   ((segid  A and resid  81 and name HG11 ))    1.80  0.00  2.85
 assign ((segid  A and resid  81 and name HN   ))   ((segid  A and resid  81 and name HG12 ))    1.80  0.00  2.85
 assign ((segid  A and resid  81 and name HN   ))   ((segid  A and resid  81 and name HG2* ))    1.80  0.00  2.42
 assign ((segid  A and resid  82 and name HB*  ))   ((segid  A and resid  83 and name HN   ))    1.80  0.00  1.82
 assign ((segid  A and resid  82 and name HB*  ))   ((segid  A and resid  86 and name HB   ))    1.80  0.00  2.62
 assign ((segid  A and resid  82 and name HN   ))   ((segid  A and resid  83 and name HN   ))    1.80  0.00  3.25
 assign ((segid  A and resid  82 and name HN   ))   ((segid  A and resid  86 and name HG1* ))    1.80  0.00  3.22
 assign ((segid  A and resid  82 and name HN   ))   ((segid  A and resid  86 and name HG2* ))    1.80  0.00  2.38
 assign ((segid  A and resid  83 and name HN   ))   ((segid  A and resid  84 and name HN   ))    1.80  0.00  3.82
 assign ((segid  A and resid  83 and name HN   ))   ((segid  A and resid  85 and name HN   ))    1.80  0.00  4.25
 assign ((segid  A and resid  83 and name HN   ))   ((segid  A and resid  86 and name HB   ))    1.80  0.00  2.56
 assign ((segid  A and resid  83 and name HN   ))   ((segid  A and resid  86 and name HG1* ))    1.80  0.00  3.13
 assign ((segid  A and resid  83 and name HN   ))   ((segid  A and resid  86 and name HG2* ))    1.80  0.00  2.50
 assign ((segid  A and resid  84 and name HA   ))   ((segid  A and resid  84 and name HG*  ))    1.80  0.00  2.06
 assign ((segid  A and resid  84 and name HA   ))   ((segid  A and resid  86 and name HN   ))    1.80  0.00  3.49
 assign ((segid  A and resid  84 and name HA   ))   ((segid  A and resid  87 and name HB*  ))    1.80  0.00  1.30
 assign ((segid  A and resid  84 and name HA   ))   ((segid  A and resid  87 and name HN   ))    1.80  0.00  2.64
 assign ((segid  A and resid  84 and name HG*  ))   ((segid  A and resid  85 and name HN   ))    1.80  0.00  3.23
 assign ((segid  A and resid  84 and name HG*  ))   ((segid  A and resid  86 and name HN   ))    1.80  0.00  4.25
 assign ((segid  A and resid  84 and name HG*  ))   ((segid  A and resid  88 and name HD*  ))    1.80  0.00  2.92
 assign ((segid  A and resid  84 and name HG*  ))   ((segid  A and resid  88 and name HE   ))    1.80  0.00  4.25
 assign ((segid  A and resid  84 and name HG*  ))   ((segid  A and resid  88 and name HG*  ))    1.80  0.00  3.13
 assign ((segid  A and resid  84 and name HG*  ))   ((segid  A and resid  88 and name HN   ))    1.80  0.00  3.80
 assign ((segid  A and resid  84 and name HN   ))   ((segid  A and resid  84 and name HG*  ))    1.80  0.00  3.03
 assign ((segid  A and resid  84 and name HN   ))   ((segid  A and resid  87 and name HB*  ))    1.80  0.00  4.18
 assign ((segid  A and resid  85 and name HA   ))   ((segid  A and resid  88 and name HB*  ))    1.80  0.00  4.07
 assign ((segid  A and resid  85 and name HA   ))   ((segid  A and resid  88 and name HN   ))    1.80  0.00  3.23
 assign ((segid  A and resid  85 and name HB*  ))   ((segid  A and resid  86 and name HG2* ))    1.80  0.00  2.22
 assign ((segid  A and resid  85 and name HN   ))   ((segid  A and resid  86 and name HG2* ))    1.80  0.00  3.01
 assign ((segid  A and resid  85 and name HN   ))   ((segid  A and resid  86 and name HN   ))    1.80  0.00  2.52
 assign ((segid  A and resid  85 and name HN   ))   ((segid  A and resid  87 and name HB*  ))    1.80  0.00  4.25
 assign ((segid  A and resid  85 and name HN   ))   ((segid  A and resid  87 and name HN   ))    1.80  0.00  3.89
 assign ((segid  A and resid  86 and name HA   ))   ((segid  A and resid  86 and name HG1* ))    1.80  0.00  2.02
 assign ((segid  A and resid  86 and name HA   ))   ((segid  A and resid  86 and name HG2* ))    1.80  0.00  1.81
 assign ((segid  A and resid  86 and name HA   ))   ((segid  A and resid  89 and name HB*  ))    1.80  0.00  2.90
 assign ((segid  A and resid  86 and name HA   ))   ((segid  A and resid  89 and name HD2* ))    1.80  0.00  3.46
 assign ((segid  A and resid  86 and name HA   ))   ((segid  A and resid  89 and name HN   ))    1.80  0.00  3.22
 assign ((segid  A and resid  86 and name HA   ))   ((segid  A and resid  90 and name HN   ))    1.80  0.00  3.83
 assign ((segid  A and resid  86 and name HB   ))   ((segid  A and resid  87 and name HN   ))    1.80  0.00  2.72
 assign ((segid  A and resid  86 and name HG1* ))   ((segid  A and resid  87 and name HB*  ))    1.80  0.00  3.83
 assign ((segid  A and resid  86 and name HG1* ))   ((segid  A and resid  87 and name HN   ))    1.80  0.00  2.56
 assign ((segid  A and resid  86 and name HG2* ))   ((segid  A and resid  87 and name HN   ))    1.80  0.00  2.67
 assign ((segid  A and resid  86 and name HN   ))   ((segid  A and resid  86 and name HG2* ))    1.80  0.00  1.63
 assign ((segid  A and resid  87 and name HA   ))   ((segid  A and resid  90 and name HB*  ))    1.80  0.00  3.50
 assign ((segid  A and resid  87 and name HA   ))   ((segid  A and resid  90 and name HN   ))    1.80  0.00  3.15
 assign ((segid  A and resid  87 and name HB*  ))   ((segid  A and resid  88 and name HN   ))    1.80  0.00  1.79
 assign ((segid  A and resid  87 and name HN   ))   ((segid  A and resid  87 and name HB*  ))    1.80  0.00  1.36
 assign ((segid  A and resid  87 and name HN   ))   ((segid  A and resid  88 and name HB*  ))    1.80  0.00  3.73
 assign ((segid  A and resid  87 and name HN   ))   ((segid  A and resid  88 and name HG*  ))    1.80  0.00  3.47
 assign ((segid  A and resid  87 and name HN   ))   ((segid  A and resid  88 and name HN   ))    1.80  0.00  2.41
 assign ((segid  A and resid  88 and name HA   ))   ((segid  A and resid  88 and name HD1  ))    1.80  0.00  4.25
 assign ((segid  A and resid  88 and name HA   ))   ((segid  A and resid  88 and name HD2  ))    1.80  0.00  4.25
 assign ((segid  A and resid  88 and name HA   ))   ((segid  A and resid  90 and name HN   ))    1.80  0.00  3.91
 assign ((segid  A and resid  88 and name HA   ))   ((segid  A and resid  91 and name HB*  ))    1.80  0.00  2.17
 assign ((segid  A and resid  88 and name HA   ))   ((segid  A and resid  91 and name HN   ))    1.80  0.00  3.21
 assign ((segid  A and resid  88 and name HA   ))   ((segid  A and resid  92 and name HN   ))    1.80  0.00  4.15
 assign ((segid  A and resid  88 and name HB*  ))   ((segid  A and resid  88 and name HD*  ))    1.80  0.00  1.73
 assign ((segid  A and resid  88 and name HB*  ))   ((segid  A and resid  92 and name HD2* ))    1.80  0.00  4.60
 assign ((segid  A and resid  88 and name HN   ))   ((segid  A and resid  88 and name HB*  ))    1.80  0.00  2.02
 assign ((segid  A and resid  88 and name HN   ))   ((segid  A and resid  88 and name HD*  ))    1.80  0.00  3.40
 assign ((segid  A and resid  88 and name HN   ))   ((segid  A and resid  88 and name HG1  ))    1.80  0.00  2.59
 assign ((segid  A and resid  88 and name HN   ))   ((segid  A and resid  88 and name HG2  ))    1.80  0.00  2.59
 assign ((segid  A and resid  89 and name HA   ))   ((segid  A and resid  89 and name HD2* ))    1.80  0.00  2.78
 assign ((segid  A and resid  89 and name HA   ))   ((segid  A and resid  92 and name HD2* ))    1.80  0.00  2.40
 assign ((segid  A and resid  89 and name HA   ))   ((segid  A and resid  92 and name HN   ))    1.80  0.00  4.25
 assign ((segid  A and resid  89 and name HA   ))   ((segid  A and resid  93 and name HN   ))    1.80  0.00  4.25
 assign ((segid  A and resid  89 and name HB*  ))   ((segid  A and resid  89 and name HD1* ))    1.80  0.00  1.52
 assign ((segid  A and resid  89 and name HB*  ))   ((segid  A and resid  90 and name HN   ))    1.80  0.00  2.66
 assign ((segid  A and resid  89 and name HD2* ))   ((segid  A and resid  90 and name HN   ))    1.80  0.00  2.68
 assign ((segid  A and resid  89 and name HD2* ))   ((segid  A and resid  92 and name HN   ))    1.80  0.00  6.21
 assign ((segid  A and resid  89 and name HD2* ))   ((segid  A and resid  93 and name HB   ))    1.80  0.00  3.21
 assign ((segid  A and resid  89 and name HD2* ))   ((segid  A and resid  93 and name HG1* ))    1.80  0.00  3.20
 assign ((segid  A and resid  89 and name HN   ))   ((segid  A and resid  89 and name HD1* ))    1.80  0.00  3.35
 assign ((segid  A and resid  89 and name HN   ))   ((segid  A and resid  89 and name HD2* ))    1.80  0.00  3.12
 assign ((segid  A and resid  89 and name HN   ))   ((segid  A and resid  90 and name HN   ))    1.80  0.00  2.96
 assign ((segid  A and resid  89 and name HN   ))   ((segid  A and resid  91 and name HN   ))    1.80  0.00  3.89
 assign ((segid  A and resid  90 and name HA   ))   ((segid  A and resid  90 and name HD*  ))    1.80  0.00  2.26
 assign ((segid  A and resid  90 and name HA   ))   ((segid  A and resid  91 and name HB*  ))    1.80  0.00  3.87
 assign ((segid  A and resid  90 and name HA   ))   ((segid  A and resid  93 and name HB   ))    1.80  0.00  3.36
 assign ((segid  A and resid  90 and name HA   ))   ((segid  A and resid  93 and name HG1* ))    1.80  0.00  1.97
 assign ((segid  A and resid  90 and name HB*  ))   ((segid  A and resid  91 and name HB*  ))    1.80  0.00  2.89
 assign ((segid  A and resid  90 and name HB*  ))   ((segid  A and resid  93 and name HG1* ))    1.80  0.00  3.36
 assign ((segid  A and resid  90 and name HB1  ))   ((segid  A and resid  91 and name HN   ))    1.80  0.00  3.14
 assign ((segid  A and resid  90 and name HB2  ))   ((segid  A and resid  91 and name HN   ))    1.80  0.00  3.14
 assign ((segid  A and resid  90 and name HD*  ))   ((segid  A and resid  91 and name HN   ))    1.80  0.00  3.36
 assign ((segid  A and resid  90 and name HD*  ))   ((segid  A and resid  93 and name HG1* ))    1.80  0.00  2.75
 assign ((segid  A and resid  90 and name HN   ))   ((segid  A and resid  90 and name HD*  ))    1.80  0.00  3.07
 assign ((segid  A and resid  90 and name HN   ))   ((segid  A and resid  91 and name HB*  ))    1.80  0.00  3.00
 assign ((segid  A and resid  90 and name HN   ))   ((segid  A and resid  91 and name HN   ))    1.80  0.00  2.26
 assign ((segid  A and resid  91 and name HA   ))   ((segid  A and resid  94 and name HB*  ))    1.80  0.00  3.87
 assign ((segid  A and resid  91 and name HA   ))   ((segid  A and resid  94 and name HE21 ))    1.80  0.00  3.51
 assign ((segid  A and resid  91 and name HA   ))   ((segid  A and resid  94 and name HE22 ))    1.80  0.00  3.51
 assign ((segid  A and resid  91 and name HA   ))   ((segid  A and resid  94 and name HG*  ))    1.80  0.00  2.99
 assign ((segid  A and resid  91 and name HA   ))   ((segid  A and resid  94 and name HN   ))    1.80  0.00  3.45
 assign ((segid  A and resid  91 and name HB*  ))   ((segid  A and resid  93 and name HN   ))    1.80  0.00  3.51
 assign ((segid  A and resid  91 and name HN   ))   ((segid  A and resid  91 and name HB*  ))    1.80  0.00  1.45
 assign ((segid  A and resid  91 and name HN   ))   ((segid  A and resid  92 and name HN   ))    1.80  0.00  2.37
 assign ((segid  A and resid  92 and name HA   ))   ((segid  A and resid  95 and name HB   ))    1.80  0.00  2.48
 assign ((segid  A and resid  92 and name HA   ))   ((segid  A and resid  95 and name HG1* ))    1.80  0.00  3.15
 assign ((segid  A and resid  92 and name HA   ))   ((segid  A and resid  95 and name HG2* ))    1.80  0.00  1.79
 assign ((segid  A and resid  92 and name HA   ))   ((segid  A and resid  95 and name HN   ))    1.80  0.00  2.92
 assign ((segid  A and resid  92 and name HA   ))   ((segid  A and resid  96 and name HN   ))    1.80  0.00  4.12
 assign ((segid  A and resid  92 and name HB*  ))   ((segid  A and resid  93 and name HN   ))    1.80  0.00  2.64
 assign ((segid  A and resid  92 and name HG   ))   ((segid  A and resid  93 and name HA   ))    1.80  0.00  3.74
 assign ((segid  A and resid  92 and name HG   ))   ((segid  A and resid  93 and name HN   ))    1.80  0.00  3.25
 assign ((segid  A and resid  92 and name HN   ))   ((segid  A and resid  93 and name HN   ))    1.80  0.00  2.37
 assign ((segid  A and resid  93 and name HA   ))   ((segid  A and resid  93 and name HG1* ))    1.80  0.00  1.78
 assign ((segid  A and resid  93 and name HA   ))   ((segid  A and resid  93 and name HG2* ))    1.80  0.00  1.58
 assign ((segid  A and resid  93 and name HB   ))   ((segid  A and resid  94 and name HN   ))    1.80  0.00  3.15
 assign ((segid  A and resid  93 and name HG1* ))   ((segid  A and resid  94 and name HN   ))    1.80  0.00  2.16
 assign ((segid  A and resid  93 and name HG2* ))   ((segid  A and resid  94 and name HA   ))    1.80  0.00  4.03
 assign ((segid  A and resid  93 and name HN   ))   ((segid  A and resid  93 and name HB   ))    1.80  0.00  2.19
 assign ((segid  A and resid  93 and name HN   ))   ((segid  A and resid  93 and name HG1* ))    1.80  0.00  1.87
 assign ((segid  A and resid  93 and name HN   ))   ((segid  A and resid  93 and name HG2* ))    1.80  0.00  3.64
 assign ((segid  A and resid  93 and name HN   ))   ((segid  A and resid  94 and name HN   ))    1.80  0.00  2.69
 assign ((segid  A and resid  94 and name HA   ))   ((segid  A and resid  94 and name HE2* ))    1.80  0.00  4.07
 assign ((segid  A and resid  94 and name HA   ))   ((segid  A and resid  97 and name HB*  ))    1.80  0.00  2.12
 assign ((segid  A and resid  94 and name HA   ))   ((segid  A and resid  97 and name HN   ))    1.80  0.00  2.89
 assign ((segid  A and resid  94 and name HA   ))   ((segid  A and resid  98 and name HN   ))    1.80  0.00  3.25
 assign ((segid  A and resid  94 and name HB*  ))   ((segid  A and resid  94 and name HE2* ))    1.80  0.00  3.23
 assign ((segid  A and resid  94 and name HB*  ))   ((segid  A and resid  97 and name HB*  ))    1.80  0.00  4.00
 assign ((segid  A and resid  94 and name HG*  ))   ((segid  A and resid  95 and name HN   ))    1.80  0.00  2.79
 assign ((segid  A and resid  94 and name HN   ))   ((segid  A and resid  94 and name HG*  ))    1.80  0.00  2.24
 assign ((segid  A and resid  94 and name HN   ))   ((segid  A and resid  95 and name HN   ))    1.80  0.00  2.64
 assign ((segid  A and resid  95 and name HA   ))   ((segid  A and resid  95 and name HG1* ))    1.80  0.00  1.75
 assign ((segid  A and resid  95 and name HA   ))   ((segid  A and resid  95 and name HG2* ))    1.80  0.00  1.32
 assign ((segid  A and resid  95 and name HA   ))   ((segid  A and resid  98 and name HB1  ))    1.80  0.00  2.99
 assign ((segid  A and resid  95 and name HA   ))   ((segid  A and resid  98 and name HB2  ))    1.80  0.00  2.99
 assign ((segid  A and resid  95 and name HA   ))   ((segid  A and resid  98 and name HN   ))    1.80  0.00  2.75
 assign ((segid  A and resid  95 and name HA   ))   ((segid  A and resid  99 and name HN   ))    1.80  0.00  3.39
 assign ((segid  A and resid  95 and name HB   ))   ((segid  A and resid  96 and name HN   ))    1.80  0.00  2.84
 assign ((segid  A and resid  95 and name HB   ))   ((segid  A and resid  97 and name HN   ))    1.80  0.00  4.25
 assign ((segid  A and resid  95 and name HG1* ))   ((segid  A and resid  96 and name HA   ))    1.80  0.00  2.20
 assign ((segid  A and resid  95 and name HG1* ))   ((segid  A and resid  96 and name HN   ))    1.80  0.00  2.37
 assign ((segid  A and resid  95 and name HG1* ))   ((segid  A and resid  98 and name HB*  ))    1.80  0.00  4.25
 assign ((segid  A and resid  95 and name HG1* ))   ((segid  A and resid  98 and name HN   ))    1.80  0.00  3.78
 assign ((segid  A and resid  95 and name HG1* ))   ((segid  A and resid  99 and name HB*  ))    1.80  0.00  2.89
 assign ((segid  A and resid  95 and name HG1* ))   ((segid  A and resid  99 and name HG*  ))    1.80  0.00  3.09
 assign ((segid  A and resid  95 and name HG1* ))   ((segid  A and resid  99 and name HN   ))    1.80  0.00  3.34
 assign ((segid  A and resid  95 and name HG2* ))   ((segid  A and resid  96 and name HN   ))    1.80  0.00  2.75
 assign ((segid  A and resid  95 and name HN   ))   ((segid  A and resid  95 and name HB   ))    1.80  0.00  2.29
 assign ((segid  A and resid  95 and name HN   ))   ((segid  A and resid  95 and name HG1* ))    1.80  0.00  2.42
 assign ((segid  A and resid  95 and name HN   ))   ((segid  A and resid  95 and name HG2* ))    1.80  0.00  1.50
 assign ((segid  A and resid  95 and name HN   ))   ((segid  A and resid  96 and name HN   ))    1.80  0.00  2.70
 assign ((segid  A and resid  96 and name HA   ))   ((segid  A and resid  96 and name HG1* ))    1.80  0.00  1.78
 assign ((segid  A and resid  96 and name HA   ))   ((segid  A and resid  99 and name HB*  ))    1.80  0.00  3.70
 assign ((segid  A and resid  96 and name HA   ))   ((segid  A and resid 100 and name HD2  ))    1.80  0.00  3.21
 assign ((segid  A and resid  96 and name HB   ))   ((segid  A and resid  97 and name HN   ))    1.80  0.00  2.96
 assign ((segid  A and resid  96 and name HG1* ))   ((segid  A and resid  97 and name HN   ))    1.80  0.00  3.49
 assign ((segid  A and resid  96 and name HG1* ))   ((segid  A and resid 100 and name HD2  ))    1.80  0.00  3.45
 assign ((segid  A and resid  96 and name HG2* ))   ((segid  A and resid  97 and name HN   ))    1.80  0.00  2.24
 assign ((segid  A and resid  96 and name HG2* ))   ((segid  A and resid 100 and name HD2  ))    1.80  0.00  3.45
 assign ((segid  A and resid  96 and name HN   ))   ((segid  A and resid  96 and name HB   ))    1.80  0.00  2.49
 assign ((segid  A and resid  96 and name HN   ))   ((segid  A and resid  96 and name HG1* ))    1.80  0.00  2.38
 assign ((segid  A and resid  96 and name HN   ))   ((segid  A and resid  96 and name HG2* ))    1.80  0.00  2.18
 assign ((segid  A and resid  96 and name HN   ))   ((segid  A and resid  97 and name HN   ))    1.80  0.00  2.51
 assign ((segid  A and resid  97 and name HA   ))   ((segid  A and resid 101 and name HD2* ))    1.80  0.00  3.63
 assign ((segid  A and resid  97 and name HB*  ))   ((segid  A and resid  98 and name HA   ))    1.80  0.00  3.74
 assign ((segid  A and resid  97 and name HB*  ))   ((segid  A and resid  98 and name HB*  ))    1.80  0.00  3.56
 assign ((segid  A and resid  97 and name HB*  ))   ((segid  A and resid  98 and name HN   ))    1.80  0.00  2.14
 assign ((segid  A and resid  97 and name HB*  ))   ((segid  A and resid 101 and name HD2* ))    1.80  0.00  2.34
 assign ((segid  A and resid  97 and name HN   ))   ((segid  A and resid  97 and name HB*  ))    1.80  0.00  1.67
 assign ((segid  A and resid  98 and name HB1  ))   ((segid  A and resid  99 and name HN   ))    1.80  0.00  3.01
 assign ((segid  A and resid  98 and name HB2  ))   ((segid  A and resid  99 and name HN   ))    1.80  0.00  3.01
 assign ((segid  A and resid  98 and name HN   ))   ((segid  A and resid  98 and name HB1  ))    1.80  0.00  2.12
 assign ((segid  A and resid  98 and name HN   ))   ((segid  A and resid  98 and name HB2  ))    1.80  0.00  2.12
 assign ((segid  A and resid  99 and name HB1  ))   ((segid  A and resid 100 and name HN   ))    1.80  0.00  3.19
 assign ((segid  A and resid  99 and name HB2  ))   ((segid  A and resid 100 and name HN   ))    1.80  0.00  3.19
 assign ((segid  A and resid  99 and name HG*  ))   ((segid  A and resid 100 and name HN   ))    1.80  0.00  3.22
 assign ((segid  A and resid  99 and name HN   ))   ((segid  A and resid  99 and name HB*  ))    1.80  0.00  1.86
 assign ((segid  A and resid  99 and name HN   ))   ((segid  A and resid  99 and name HG1  ))    1.80  0.00  3.35
 assign ((segid  A and resid  99 and name HN   ))   ((segid  A and resid  99 and name HG2  ))    1.80  0.00  3.35
 assign ((segid  A and resid  99 and name HN   ))   ((segid  A and resid 100 and name HN   ))    1.80  0.00  2.61
 assign ((segid  A and resid 100 and name HN   ))   ((segid  A and resid 100 and name HD2  ))    1.80  0.00  3.46
 assign ((segid  A and resid 101 and name HA   ))   ((segid  A and resid 101 and name HD2* ))    1.80  0.00  2.14
 assign ((segid  A and resid 101 and name HB*  ))   ((segid  A and resid 101 and name HD1* ))    1.80  0.00  1.89
 assign ((segid  A and resid 101 and name HB*  ))   ((segid  A and resid 101 and name HD2* ))    1.80  0.00  1.84
 assign ((segid  A and resid 101 and name HB*  ))   ((segid  A and resid 102 and name HN   ))    1.80  0.00  2.41
 assign ((segid  A and resid 101 and name HD2* ))   ((segid  A and resid 102 and name HN   ))    1.80  0.00  3.22
 assign ((segid  A and resid 101 and name HN   ))   ((segid  A and resid 101 and name HD1* ))    1.80  0.00  3.07
 assign ((segid  A and resid 101 and name HN   ))   ((segid  A and resid 101 and name HD2* ))    1.80  0.00  3.27
 assign ((segid  A and resid 101 and name HN   ))   ((segid  A and resid 101 and name HG   ))    1.80  0.00  3.17
 assign ((segid  A and resid 101 and name HN   ))   ((segid  A and resid 102 and name HN   ))    1.80  0.00  2.56
 assign ((segid  A and resid 102 and name HN   ))   ((segid  A and resid 102 and name HG*  ))    1.80  0.00  2.63
 assign ((segid  A and resid 107 and name HB*  ))   ((segid  A and resid 108 and name HN   ))    1.80  0.00  2.58
 assign ((segid  B and resid   4 and name HA   ))   ((segid  B and resid   4 and name HG*  ))    1.80  0.00  2.02
 assign ((segid  B and resid   4 and name HN   ))   ((segid  B and resid   4 and name HG*  ))    1.80  0.00  2.88
 assign ((segid  B and resid   5 and name HA   ))   ((segid  B and resid   6 and name HN   ))    1.80  0.00  2.08
 assign ((segid  B and resid   5 and name HB*  ))   ((segid  B and resid   6 and name HN   ))    1.80  0.00  2.52
 assign ((segid  B and resid   6 and name HA   ))   ((segid  B and resid   7 and name HN   ))    1.80  0.00  2.07
 assign ((segid  B and resid   6 and name HA   ))   ((segid  B and resid   9 and name HB*  ))    1.80  0.00  2.91
 assign ((segid  B and resid   6 and name HB*  ))   ((segid  B and resid   7 and name HA   ))    1.80  0.00  3.73
 assign ((segid  B and resid   6 and name HB*  ))   ((segid  B and resid   7 and name HN   ))    1.80  0.00  2.47
 assign ((segid  B and resid   6 and name HB*  ))   ((segid  B and resid   9 and name HB*  ))    1.80  0.00  2.63
 assign ((segid  B and resid   6 and name HN   ))   ((segid  B and resid   6 and name HB*  ))    1.80  0.00  1.84
 assign ((segid  B and resid   7 and name HA   ))   ((segid  B and resid   7 and name HG*  ))    1.80  0.00  1.91
 assign ((segid  B and resid   7 and name HA   ))   ((segid  B and resid  10 and name HB*  ))    1.80  0.00  2.97
 assign ((segid  B and resid   7 and name HA   ))   ((segid  B and resid  10 and name HN   ))    1.80  0.00  2.90
 assign ((segid  B and resid   7 and name HB*  ))   ((segid  B and resid   7 and name HD*  ))    1.80  0.00  1.85
 assign ((segid  B and resid   7 and name HB*  ))   ((segid  B and resid   8 and name HN   ))    1.80  0.00  1.92
 assign ((segid  B and resid   7 and name HN   ))   ((segid  B and resid   7 and name HB*  ))    1.80  0.00  1.87
 assign ((segid  B and resid   7 and name HN   ))   ((segid  B and resid   7 and name HD*  ))    1.80  0.00  3.28
 assign ((segid  B and resid   7 and name HN   ))   ((segid  B and resid   7 and name HG*  ))    1.80  0.00  2.56
 assign ((segid  B and resid   7 and name HN   ))   ((segid  B and resid   8 and name HN   ))    1.80  0.00  2.17
 assign ((segid  B and resid   8 and name HA   ))   ((segid  B and resid   8 and name HD*  ))    1.80  0.00  2.43
 assign ((segid  B and resid   8 and name HA   ))   ((segid  B and resid   8 and name HG*  ))    1.80  0.00  1.94
 assign ((segid  B and resid   8 and name HA   ))   ((segid  B and resid  11 and name HD*  ))    1.80  0.00  2.25
 assign ((segid  B and resid   8 and name HB*  ))   ((segid  B and resid   8 and name HE*  ))    1.80  0.00  2.63
 assign ((segid  B and resid   8 and name HB*  ))   ((segid  B and resid   9 and name HN   ))    1.80  0.00  1.81
 assign ((segid  B and resid   8 and name HE*  ))   ((segid  B and resid  12 and name HD1* ))    1.80  0.00  2.69
 assign ((segid  B and resid   8 and name HG*  ))   ((segid  B and resid   8 and name HE*  ))    1.80  0.00  1.90
 assign ((segid  B and resid   8 and name HN   ))   ((segid  B and resid   8 and name HB*  ))    1.80  0.00  1.73
 assign ((segid  B and resid   8 and name HN   ))   ((segid  B and resid   8 and name HD*  ))    1.80  0.00  3.11
 assign ((segid  B and resid   8 and name HN   ))   ((segid  B and resid   8 and name HG*  ))    1.80  0.00  2.26
 assign ((segid  B and resid   9 and name HA   ))   ((segid  B and resid  12 and name HD1* ))    1.80  0.00  3.00
 assign ((segid  B and resid   9 and name HA   ))   ((segid  B and resid  12 and name HN   ))    1.80  0.00  2.96
 assign ((segid  B and resid   9 and name HB*  ))   ((segid  B and resid  12 and name HD1* ))    1.80  0.00  3.46
 assign ((segid  B and resid   9 and name HN   ))   ((segid  B and resid   9 and name HB*  ))    1.80  0.00  1.32
 assign ((segid  B and resid  10 and name HA   ))   ((segid  B and resid  13 and name HB*  ))    1.80  0.00  2.10
 assign ((segid  B and resid  10 and name HA   ))   ((segid  B and resid  13 and name HN   ))    1.80  0.00  2.49
 assign ((segid  B and resid  10 and name HB*  ))   ((segid  B and resid  11 and name HA   ))    1.80  0.00  3.39
 assign ((segid  B and resid  10 and name HB*  ))   ((segid  B and resid  11 and name HN   ))    1.80  0.00  1.94
 assign ((segid  B and resid  10 and name HB*  ))   ((segid  B and resid  13 and name HB*  ))    1.80  0.00  2.94
 assign ((segid  B and resid  10 and name HB*  ))   ((segid  B and resid  14 and name HN   ))    1.80  0.00  3.98
 assign ((segid  B and resid  10 and name HN   ))   ((segid  B and resid  10 and name HB*  ))    1.80  0.00  1.19
 assign ((segid  B and resid  10 and name HN   ))   ((segid  B and resid  11 and name HD*  ))    1.80  0.00  3.95
 assign ((segid  B and resid  10 and name HN   ))   ((segid  B and resid  11 and name HN   ))    1.80  0.00  2.03
 assign ((segid  B and resid  10 and name HN   ))   ((segid  B and resid  12 and name HN   ))    1.80  0.00  3.68
 assign ((segid  B and resid  11 and name HA   ))   ((segid  B and resid  11 and name HD*  ))    1.80  0.00  1.85
 assign ((segid  B and resid  11 and name HA   ))   ((segid  B and resid  13 and name HN   ))    1.80  0.00  2.88
 assign ((segid  B and resid  11 and name HA   ))   ((segid  B and resid  14 and name HG*  ))    1.80  0.00  3.57
 assign ((segid  B and resid  11 and name HA   ))   ((segid  B and resid  14 and name HN   ))    1.80  0.00  2.81
 assign ((segid  B and resid  11 and name HB*  ))   ((segid  B and resid  12 and name HN   ))    1.80  0.00  2.49
 assign ((segid  B and resid  11 and name HD*  ))   ((segid  B and resid  12 and name HN   ))    1.80  0.00  2.92
 assign ((segid  B and resid  11 and name HN   ))   ((segid  B and resid  11 and name HB*  ))    1.80  0.00  1.76
 assign ((segid  B and resid  11 and name HN   ))   ((segid  B and resid  11 and name HD*  ))    1.80  0.00  2.57
 assign ((segid  B and resid  11 and name HN   ))   ((segid  B and resid  12 and name HG   ))    1.80  0.00  4.25
 assign ((segid  B and resid  11 and name HN   ))   ((segid  B and resid  12 and name HN   ))    1.80  0.00  2.35
 assign ((segid  B and resid  12 and name HA   ))   ((segid  B and resid  12 and name HD1* ))    1.80  0.00  2.55
 assign ((segid  B and resid  12 and name HA   ))   ((segid  B and resid  12 and name HD2* ))    1.80  0.00  1.59
 assign ((segid  B and resid  12 and name HA   ))   ((segid  B and resid  14 and name HN   ))    1.80  0.00  3.74
 assign ((segid  B and resid  12 and name HA   ))   ((segid  B and resid  15 and name HB   ))    1.80  0.00  3.36
 assign ((segid  B and resid  12 and name HB*  ))   ((segid  B and resid  12 and name HD1* ))    1.80  0.00  1.51
 assign ((segid  B and resid  12 and name HB*  ))   ((segid  B and resid  12 and name HD2* ))    1.80  0.00  1.52
 assign ((segid  B and resid  12 and name HB*  ))   ((segid  B and resid  13 and name HN   ))    1.80  0.00  2.19
 assign ((segid  B and resid  12 and name HD1* ))   ((segid  B and resid  13 and name HN   ))    1.80  0.00  3.80
 assign ((segid  B and resid  12 and name HD2* ))   ((segid  B and resid  13 and name HN   ))    1.80  0.00  3.45
 assign ((segid  B and resid  12 and name HN   ))   ((segid  B and resid  12 and name HB*  ))    1.80  0.00  2.08
 assign ((segid  B and resid  12 and name HN   ))   ((segid  B and resid  12 and name HD1* ))    1.80  0.00  2.34
 assign ((segid  B and resid  12 and name HN   ))   ((segid  B and resid  12 and name HD2* ))    1.80  0.00  2.56
 assign ((segid  B and resid  12 and name HN   ))   ((segid  B and resid  12 and name HG   ))    1.80  0.00  1.90
 assign ((segid  B and resid  12 and name HN   ))   ((segid  B and resid  13 and name HN   ))    1.80  0.00  2.06
 assign ((segid  B and resid  13 and name HA   ))   ((segid  B and resid  16 and name HB*  ))    1.80  0.00  2.09
 assign ((segid  B and resid  13 and name HA   ))   ((segid  B and resid  16 and name HN   ))    1.80  0.00  2.59
 assign ((segid  B and resid  13 and name HB*  ))   ((segid  B and resid  16 and name HB*  ))    1.80  0.00  3.60
 assign ((segid  B and resid  13 and name HB1  ))   ((segid  B and resid  14 and name HN   ))    1.80  0.00  2.86
 assign ((segid  B and resid  13 and name HB2  ))   ((segid  B and resid  14 and name HN   ))    1.80  0.00  2.86
 assign ((segid  B and resid  13 and name HN   ))   ((segid  B and resid  13 and name HB*  ))    1.80  0.00  1.53
 assign ((segid  B and resid  13 and name HN   ))   ((segid  B and resid  14 and name HN   ))    1.80  0.00  2.04
 assign ((segid  B and resid  14 and name HA   ))   ((segid  B and resid  17 and name HD*  ))    1.80  0.00  2.81
 assign ((segid  B and resid  14 and name HA   ))   ((segid  B and resid  17 and name HN   ))    1.80  0.00  3.44
 assign ((segid  B and resid  14 and name HB*  ))   ((segid  B and resid  14 and name HE21 ))    1.80  0.00  3.82
 assign ((segid  B and resid  14 and name HB*  ))   ((segid  B and resid  15 and name HN   ))    1.80  0.00  2.81
 assign ((segid  B and resid  14 and name HN   ))   ((segid  B and resid  14 and name HG1  ))    1.80  0.00  3.25
 assign ((segid  B and resid  14 and name HN   ))   ((segid  B and resid  14 and name HG2  ))    1.80  0.00  3.25
 assign ((segid  B and resid  14 and name HN   ))   ((segid  B and resid  15 and name HN   ))    1.80  0.00  2.51
 assign ((segid  B and resid  15 and name HA   ))   ((segid  B and resid  15 and name HG1* ))    1.80  0.00  1.90
 assign ((segid  B and resid  15 and name HA   ))   ((segid  B and resid  15 and name HG2* ))    1.80  0.00  1.87
 assign ((segid  B and resid  15 and name HA   ))   ((segid  B and resid  18 and name HB   ))    1.80  0.00  3.40
 assign ((segid  B and resid  15 and name HA   ))   ((segid  B and resid  18 and name HN   ))    1.80  0.00  3.27
 assign ((segid  B and resid  15 and name HB   ))   ((segid  B and resid  16 and name HB*  ))    1.80  0.00  3.79
 assign ((segid  B and resid  15 and name HB   ))   ((segid  B and resid  16 and name HN   ))    1.80  0.00  2.80
 assign ((segid  B and resid  15 and name HG1* ))   ((segid  B and resid  16 and name HN   ))    1.80  0.00  2.72
 assign ((segid  B and resid  15 and name HN   ))   ((segid  B and resid  15 and name HG1* ))    1.80  0.00  2.15
 assign ((segid  B and resid  15 and name HN   ))   ((segid  B and resid  15 and name HG2* ))    1.80  0.00  1.87
 assign ((segid  B and resid  15 and name HN   ))   ((segid  B and resid  16 and name HN   ))    1.80  0.00  2.80
 assign ((segid  B and resid  16 and name HA   ))   ((segid  B and resid  19 and name HN   ))    1.80  0.00  3.46
 assign ((segid  B and resid  16 and name HB*  ))   ((segid  B and resid  17 and name HA   ))    1.80  0.00  3.60
 assign ((segid  B and resid  16 and name HB*  ))   ((segid  B and resid  17 and name HN   ))    1.80  0.00  2.03
 assign ((segid  B and resid  16 and name HN   ))   ((segid  B and resid  16 and name HB*  ))    1.80  0.00  1.60
 assign ((segid  B and resid  16 and name HN   ))   ((segid  B and resid  17 and name HN   ))    1.80  0.00  2.48
 assign ((segid  B and resid  17 and name HA   ))   ((segid  B and resid  17 and name HD*  ))    1.80  0.00  3.06
 assign ((segid  B and resid  17 and name HA   ))   ((segid  B and resid  20 and name HB*  ))    1.80  0.00  2.74
 assign ((segid  B and resid  17 and name HA   ))   ((segid  B and resid  20 and name HD*  ))    1.80  0.00  2.63
 assign ((segid  B and resid  17 and name HA   ))   ((segid  B and resid  20 and name HG*  ))    1.80  0.00  2.62
 assign ((segid  B and resid  17 and name HA   ))   ((segid  B and resid  20 and name HN   ))    1.80  0.00  3.33
 assign ((segid  B and resid  17 and name HA   ))   ((segid  B and resid  21 and name HN   ))    1.80  0.00  3.77
 assign ((segid  B and resid  17 and name HA   ))   ((segid  B and resid  65 and name HA*  ))    1.80  0.00  3.20
 assign ((segid  B and resid  17 and name HN   ))   ((segid  B and resid  17 and name HD*  ))    1.80  0.00  3.01
 assign ((segid  B and resid  17 and name HN   ))   ((segid  B and resid  17 and name HG*  ))    1.80  0.00  2.64
 assign ((segid  B and resid  17 and name HN   ))   ((segid  B and resid  18 and name HN   ))    1.80  0.00  2.78
 assign ((segid  B and resid  17 and name HN   ))   ((segid  B and resid  19 and name HN   ))    1.80  0.00  4.11
 assign ((segid  B and resid  17 and name HN   ))   ((segid  B and resid  20 and name HN   ))    1.80  0.00  4.25
 assign ((segid  B and resid  17 and name HD*  ))   ((segid  B and resid  64 and name HB*  ))    1.80  0.00  3.20
 assign ((segid  B and resid  18 and name HA   ))   ((segid  B and resid  18 and name HG1* ))    1.80  0.00  1.95
 assign ((segid  B and resid  18 and name HA   ))   ((segid  B and resid  18 and name HG2* ))    1.80  0.00  1.95
 assign ((segid  B and resid  18 and name HA   ))   ((segid  B and resid  21 and name HB*  ))    1.80  0.00  2.75
 assign ((segid  B and resid  18 and name HA   ))   ((segid  B and resid  21 and name HN   ))    1.80  0.00  3.21
 assign ((segid  B and resid  18 and name HB   ))   ((segid  B and resid  19 and name HN   ))    1.80  0.00  3.11
 assign ((segid  B and resid  18 and name HG*  ))   ((segid  B and resid  19 and name HA*  ))    1.80  0.00  2.64
 assign ((segid  B and resid  18 and name HG*  ))   ((segid  B and resid  19 and name HN   ))    1.80  0.00  2.41
 assign ((segid  B and resid  18 and name HG*  ))   ((segid  B and resid  22 and name HN   ))    1.80  0.00  3.68
 assign ((segid  B and resid  18 and name HG1* ))   ((segid  B and resid  19 and name HN   ))    1.80  0.00  3.17
 assign ((segid  B and resid  18 and name HG1* ))   ((segid  B and resid  65 and name HA*  ))    1.80  0.00  3.20
 assign ((segid  B and resid  18 and name HG2* ))   ((segid  B and resid  19 and name HN   ))    1.80  0.00  3.17
 assign ((segid  B and resid  18 and name HN   ))   ((segid  B and resid  18 and name HG*  ))    1.80  0.00  1.73
 assign ((segid  B and resid  18 and name HN   ))   ((segid  B and resid  18 and name HG1* ))    1.80  0.00  2.67
 assign ((segid  B and resid  18 and name HN   ))   ((segid  B and resid  18 and name HG2* ))    1.80  0.00  2.67
 assign ((segid  B and resid  18 and name HN   ))   ((segid  B and resid  19 and name HN   ))    1.80  0.00  2.67
 assign ((segid  B and resid  19 and name HA*  ))   ((segid  B and resid  22 and name HB1  ))    1.80  0.00  3.90
 assign ((segid  B and resid  19 and name HA*  ))   ((segid  B and resid  22 and name HB2  ))    1.80  0.00  3.90
 assign ((segid  B and resid  19 and name HA*  ))   ((segid  B and resid  22 and name HD1* ))    1.80  0.00  3.79
 assign ((segid  B and resid  19 and name HA*  ))   ((segid  B and resid  22 and name HN   ))    1.80  0.00  3.08
 assign ((segid  B and resid  19 and name HA*  ))   ((segid  B and resid  23 and name HN   ))    1.80  0.00  3.93
 assign ((segid  B and resid  19 and name HN   ))   ((segid  B and resid  21 and name HB*  ))    1.80  0.00  3.94
 assign ((segid  B and resid  20 and name HA   ))   ((segid  B and resid  20 and name HD*  ))    1.80  0.00  3.14
 assign ((segid  B and resid  20 and name HA   ))   ((segid  B and resid  20 and name HE*  ))    1.80  0.00  3.23
 assign ((segid  B and resid  20 and name HA   ))   ((segid  B and resid  20 and name HG1  ))    1.80  0.00  2.47
 assign ((segid  B and resid  20 and name HA   ))   ((segid  B and resid  20 and name HG2  ))    1.80  0.00  2.47
 assign ((segid  B and resid  20 and name HA   ))   ((segid  B and resid  23 and name HB*  ))    1.80  0.00  1.97
 assign ((segid  B and resid  20 and name HA   ))   ((segid  B and resid  23 and name HN   ))    1.80  0.00  2.75
 assign ((segid  B and resid  20 and name HB*  ))   ((segid  B and resid  20 and name HE*  ))    1.80  0.00  2.08
 assign ((segid  B and resid  20 and name HB*  ))   ((segid  B and resid  21 and name HA   ))    1.80  0.00  3.56
 assign ((segid  B and resid  20 and name HB*  ))   ((segid  B and resid  21 and name HN   ))    1.80  0.00  2.19
 assign ((segid  B and resid  20 and name HD*  ))   ((segid  B and resid  21 and name HN   ))    1.80  0.00  3.72
 assign ((segid  B and resid  20 and name HG*  ))   ((segid  B and resid  20 and name HE*  ))    1.80  0.00  1.31
 assign ((segid  B and resid  20 and name HG*  ))   ((segid  B and resid  21 and name HN   ))    1.80  0.00  3.64
 assign ((segid  B and resid  20 and name HN   ))   ((segid  B and resid  20 and name HB*  ))    1.80  0.00  1.96
 assign ((segid  B and resid  20 and name HN   ))   ((segid  B and resid  20 and name HD*  ))    1.80  0.00  2.91
 assign ((segid  B and resid  20 and name HN   ))   ((segid  B and resid  20 and name HG1  ))    1.80  0.00  2.87
 assign ((segid  B and resid  20 and name HN   ))   ((segid  B and resid  20 and name HG2  ))    1.80  0.00  2.87
 assign ((segid  B and resid  20 and name HN   ))   ((segid  B and resid  21 and name HB*  ))    1.80  0.00  4.16
 assign ((segid  B and resid  20 and name HN   ))   ((segid  B and resid  21 and name HN   ))    1.80  0.00  2.51
 assign ((segid  B and resid  21 and name HB*  ))   ((segid  B and resid  22 and name HN   ))    1.80  0.00  2.07
 assign ((segid  B and resid  21 and name HB*  ))   ((segid  B and resid  23 and name HN   ))    1.80  0.00  3.24
 assign ((segid  B and resid  21 and name HB*  ))   ((segid  B and resid  65 and name HA1  ))    1.80  0.00  2.14
 assign ((segid  B and resid  21 and name HB*  ))   ((segid  B and resid  65 and name HA2  ))    1.80  0.00  2.14
 assign ((segid  B and resid  21 and name HB*  ))   ((segid  B and resid  65 and name HN   ))    1.80  0.00  1.84
 assign ((segid  B and resid  21 and name HN   ))   ((segid  B and resid  21 and name HB*  ))    1.80  0.00  1.63
 assign ((segid  B and resid  21 and name HN   ))   ((segid  B and resid  22 and name HN   ))    1.80  0.00  2.43
 assign ((segid  B and resid  21 and name HN   ))   ((segid  B and resid  23 and name HB*  ))    1.80  0.00  4.21
 assign ((segid  B and resid  21 and name HN   ))   ((segid  B and resid  23 and name HN   ))    1.80  0.00  2.86
 assign ((segid  B and resid  22 and name HA   ))   ((segid  B and resid  22 and name HD1* ))    1.80  0.00  3.02
 assign ((segid  B and resid  22 and name HA   ))   ((segid  B and resid  22 and name HD2* ))    1.80  0.00  2.27
 assign ((segid  B and resid  22 and name HA   ))   ((segid  B and resid  28 and name HD2* ))    1.80  0.00  2.63
 assign ((segid  B and resid  22 and name HA   ))   ((segid  B and resid  31 and name HD1* ))    1.80  0.00  2.97
 assign ((segid  B and resid  22 and name HB*  ))   ((segid  B and resid  22 and name HD2* ))    1.80  0.00  1.69
 assign ((segid  B and resid  22 and name HB*  ))   ((segid  B and resid  23 and name HN   ))    1.80  0.00  2.53
 assign ((segid  B and resid  22 and name HB1  ))   ((segid  B and resid  22 and name HD1* ))    1.80  0.00  2.26
 assign ((segid  B and resid  22 and name HB2  ))   ((segid  B and resid  22 and name HD1* ))    1.80  0.00  2.26
 assign ((segid  B and resid  22 and name HD1* ))   ((segid  B and resid  23 and name HN   ))    1.80  0.00  4.15
 assign ((segid  B and resid  22 and name HD1* ))   ((segid  B and resid  89 and name HD2* ))    1.80  0.00  1.90
 assign ((segid  B and resid  22 and name HD1* ))   ((segid  B and resid  90 and name HD*  ))    1.80  0.00  4.25
 assign ((segid  B and resid  22 and name HD1* ))   ((segid  B and resid  93 and name HB   ))    1.80  0.00  3.56
 assign ((segid  B and resid  22 and name HD1* ))   ((segid  B and resid  93 and name HG1* ))    1.80  0.00  2.09
 assign ((segid  B and resid  22 and name HD2* ))   ((segid  B and resid  23 and name HN   ))    1.80  0.00  3.84
 assign ((segid  B and resid  22 and name HD2* ))   ((segid  B and resid  28 and name HA   ))    1.80  0.00  6.18
 assign ((segid  B and resid  22 and name HD2* ))   ((segid  B and resid  28 and name HD2* ))    1.80  0.00  2.36
 assign ((segid  B and resid  22 and name HD2* ))   ((segid  B and resid  90 and name HD*  ))    1.80  0.00  3.14
 assign ((segid  B and resid  22 and name HN   ))   ((segid  B and resid  22 and name HB*  ))    1.80  0.00  2.10
 assign ((segid  B and resid  22 and name HN   ))   ((segid  B and resid  22 and name HD1* ))    1.80  0.00  2.90
 assign ((segid  B and resid  22 and name HN   ))   ((segid  B and resid  22 and name HD2* ))    1.80  0.00  2.90
 assign ((segid  B and resid  22 and name HN   ))   ((segid  B and resid  23 and name HB*  ))    1.80  0.00  2.90
 assign ((segid  B and resid  22 and name HN   ))   ((segid  B and resid  23 and name HN   ))    1.80  0.00  2.24
 assign ((segid  B and resid  23 and name HB*  ))   ((segid  B and resid  24 and name HN   ))    1.80  0.00  2.60
 assign ((segid  B and resid  23 and name HN   ))   ((segid  B and resid  23 and name HB*  ))    1.80  0.00  1.63
 assign ((segid  B and resid  23 and name HN   ))   ((segid  B and resid  24 and name HN   ))    1.80  0.00  2.40
 assign ((segid  B and resid  24 and name HN   ))   ((segid  B and resid  24 and name HB*  ))    1.80  0.00  1.98
 assign ((segid  B and resid  24 and name HN   ))   ((segid  B and resid  28 and name HD1* ))    1.80  0.00  2.20
 assign ((segid  B and resid  24 and name HN   ))   ((segid  B and resid  28 and name HD2* ))    1.80  0.00  3.20
 assign ((segid  B and resid  25 and name HA*  ))   ((segid  B and resid  28 and name HB*  ))    1.80  0.00  2.95
 assign ((segid  B and resid  25 and name HA1  ))   ((segid  B and resid  28 and name HD1* ))    1.80  0.00  3.20
 assign ((segid  B and resid  25 and name HA2  ))   ((segid  B and resid  28 and name HD1* ))    1.80  0.00  3.20
 assign ((segid  B and resid  25 and name HA*  ))   ((segid  B and resid  28 and name HD2* ))    1.80  0.00  3.20
 assign ((segid  B and resid  25 and name HA*  ))   ((segid  B and resid  28 and name HN   ))    1.80  0.00  3.17
 assign ((segid  B and resid  26 and name HA   ))   ((segid  B and resid  29 and name HB*  ))    1.80  0.00  3.74
 assign ((segid  B and resid  26 and name HA   ))   ((segid  B and resid  29 and name HG*  ))    1.80  0.00  4.07
 assign ((segid  B and resid  26 and name HN   ))   ((segid  B and resid  26 and name HG*  ))    1.80  0.00  1.85
 assign ((segid  B and resid  26 and name HN   ))   ((segid  B and resid  28 and name HN   ))    1.80  0.00  3.39
 assign ((segid  B and resid  27 and name HA   ))   ((segid  B and resid  30 and name HB   ))    1.80  0.00  3.21
 assign ((segid  B and resid  27 and name HA   ))   ((segid  B and resid  30 and name HN   ))    1.80  0.00  3.01
 assign ((segid  B and resid  27 and name HA   ))   ((segid  B and resid  30 and name HD1* ))    1.80  0.00  2.71
 assign ((segid  B and resid  27 and name HA   ))   ((segid  B and resid  50 and name HE*  ))    1.80  0.00  2.30
 assign ((segid  B and resid  27 and name HN   ))   ((segid  B and resid  27 and name HB1  ))    1.80  0.00  2.30
 assign ((segid  B and resid  27 and name HN   ))   ((segid  B and resid  27 and name HB2  ))    1.80  0.00  2.30
 assign ((segid  B and resid  27 and name HN   ))   ((segid  B and resid  28 and name HN   ))    1.80  0.00  2.50
 assign ((segid  B and resid  27 and name HD*  ))   ((segid  B and resid  58 and name HA   ))    1.80  0.00  3.00
 assign ((segid  B and resid  27 and name HD*  ))   ((segid  B and resid  61 and name HB*  ))    1.80  0.00  2.00
 assign ((segid  B and resid  27 and name HD*  ))   ((segid  B and resid  62 and name HN   ))    1.80  0.00  4.00
 assign ((segid  B and resid  27 and name HD*  ))   ((segid  B and resid  62 and name HD1* ))    1.80  0.00  4.00
 assign ((segid  B and resid  28 and name HA   ))   ((segid  B and resid  28 and name HD2* ))    1.80  0.00  2.16
 assign ((segid  B and resid  28 and name HA   ))   ((segid  B and resid  30 and name HN   ))    1.80  0.00  3.28
 assign ((segid  B and resid  28 and name HA   ))   ((segid  B and resid  31 and name HB*  ))    1.80  0.00  2.73
 assign ((segid  B and resid  28 and name HA   ))   ((segid  B and resid  31 and name HD1* ))    1.80  0.00  2.55
 assign ((segid  B and resid  28 and name HA   ))   ((segid  B and resid  31 and name HN   ))    1.80  0.00  3.22
 assign ((segid  B and resid  28 and name HD1* ))   ((segid  B and resid  90 and name HD*  ))    1.80  0.00  2.90
 assign ((segid  B and resid  28 and name HD1* ))   ((segid  B and resid  90 and name HE*  ))    1.80  0.00  3.20
 assign ((segid  B and resid  28 and name HD2* ))   ((segid  B and resid  31 and name HB*  ))    1.80  0.00  3.47
 assign ((segid  B and resid  28 and name HD2* ))   ((segid  B and resid  31 and name HD1* ))    1.80  0.00  2.59
 assign ((segid  B and resid  28 and name HD2* ))   ((segid  B and resid  90 and name HD*  ))    1.80  0.00  3.11
 assign ((segid  B and resid  28 and name HD2* ))   ((segid  B and resid  90 and name HE*  ))    1.80  0.00  2.14
 assign ((segid  B and resid  28 and name HG   ))   ((segid  B and resid  31 and name HD1* ))    1.80  0.00  4.11
 assign ((segid  B and resid  28 and name HN   ))   ((segid  B and resid  28 and name HD1* ))    1.80  0.00  2.69
 assign ((segid  B and resid  28 and name HN   ))   ((segid  B and resid  28 and name HD2* ))    1.80  0.00  2.56
 assign ((segid  B and resid  28 and name HN   ))   ((segid  B and resid  28 and name HG   ))    1.80  0.00  2.93
 assign ((segid  B and resid  28 and name HN   ))   ((segid  B and resid  29 and name HN   ))    1.80  0.00  2.70
 assign ((segid  B and resid  29 and name HA   ))   ((segid  B and resid  29 and name HG*  ))    1.80  0.00  2.09
 assign ((segid  B and resid  29 and name HA   ))   ((segid  B and resid  32 and name HB*  ))    1.80  0.00  2.64
 assign ((segid  B and resid  29 and name HA   ))   ((segid  B and resid  32 and name HN   ))    1.80  0.00  3.15
 assign ((segid  B and resid  29 and name HA   ))   ((segid  B and resid  33 and name HN   ))    1.80  0.00  3.63
 assign ((segid  B and resid  29 and name HB*  ))   ((segid  B and resid  29 and name HE2* ))    1.80  0.00  3.54
 assign ((segid  B and resid  29 and name HB*  ))   ((segid  B and resid  30 and name HN   ))    1.80  0.00  2.79
 assign ((segid  B and resid  29 and name HB*  ))   ((segid  B and resid  48 and name HB   ))    1.80  0.00  4.05
 assign ((segid  B and resid  29 and name HB*  ))   ((segid  B and resid  48 and name HG2* ))    1.80  0.00  2.42
 assign ((segid  B and resid  29 and name HB*  ))   ((segid  B and resid  50 and name HE*  ))    1.80  0.00  2.42
 assign ((segid  B and resid  29 and name HE2* ))   ((segid  B and resid  50 and name HE*  ))    1.80  0.00  3.57
 assign ((segid  B and resid  29 and name HG*  ))   ((segid  B and resid  29 and name HE2* ))    1.80  0.00  1.73
 assign ((segid  B and resid  29 and name HG*  ))   ((segid  B and resid  30 and name HN   ))    1.80  0.00  3.70
 assign ((segid  B and resid  29 and name HG*  ))   ((segid  B and resid  48 and name HB   ))    1.80  0.00  4.07
 assign ((segid  B and resid  29 and name HG*  ))   ((segid  B and resid  48 and name HG2* ))    1.80  0.00  2.39
 assign ((segid  B and resid  29 and name HN   ))   ((segid  B and resid  29 and name HG*  ))    1.80  0.00  2.52
 assign ((segid  B and resid  29 and name HN   ))   ((segid  B and resid  30 and name HN   ))    1.80  0.00  2.31
 assign ((segid  B and resid  30 and name HA   ))   ((segid  B and resid  30 and name HD1* ))    1.80  0.00  2.77
 assign ((segid  B and resid  30 and name HA   ))   ((segid  B and resid  33 and name HB1  ))    1.80  0.00  3.30
 assign ((segid  B and resid  30 and name HA   ))   ((segid  B and resid  33 and name HB2  ))    1.80  0.00  3.30
 assign ((segid  B and resid  30 and name HA   ))   ((segid  B and resid  33 and name HD*  ))    1.80  0.00  3.62
 assign ((segid  B and resid  30 and name HA   ))   ((segid  B and resid  33 and name HN   ))    1.80  0.00  3.70
 assign ((segid  B and resid  30 and name HA   ))   ((segid  B and resid  44 and name HD1* ))    1.80  0.00  4.25
 assign ((segid  B and resid  30 and name HA   ))   ((segid  B and resid  48 and name HG2* ))    1.80  0.00  2.78
 assign ((segid  B and resid  30 and name HB   ))   ((segid  B and resid  31 and name HD1* ))    1.80  0.00  3.64
 assign ((segid  B and resid  30 and name HB   ))   ((segid  B and resid  31 and name HD2* ))    1.80  0.00  3.37
 assign ((segid  B and resid  30 and name HB   ))   ((segid  B and resid  31 and name HN   ))    1.80  0.00  2.84
 assign ((segid  B and resid  30 and name HB   ))   ((segid  B and resid  59 and name HD2* ))    1.80  0.00  3.58
 assign ((segid  B and resid  30 and name HB   ))   ((segid  B and resid  62 and name HD1* ))    1.80  0.00  2.13
 assign ((segid  B and resid  30 and name HD1* ))   ((segid  B and resid  55 and name HA   ))    1.80  0.00  2.66
 assign ((segid  B and resid  30 and name HD1* ))   ((segid  B and resid  55 and name HB*  ))    1.80  0.00  2.79
 assign ((segid  B and resid  30 and name HD1* ))   ((segid  B and resid  58 and name HB*  ))    1.80  0.00  2.36
 assign ((segid  B and resid  30 and name HD1* ))   ((segid  B and resid  58 and name HD2* ))    1.80  0.00  3.83
 assign ((segid  B and resid  30 and name HD1* ))   ((segid  B and resid  58 and name HN   ))    1.80  0.00  3.66
 assign ((segid  B and resid  30 and name HD1* ))   ((segid  B and resid  59 and name HA   ))    1.80  0.00  3.18
 assign ((segid  B and resid  30 and name HD1* ))   ((segid  B and resid  59 and name HD1* ))    1.80  0.00  2.57
 assign ((segid  B and resid  30 and name HD1* ))   ((segid  B and resid  59 and name HD2* ))    1.80  0.00  2.71
 assign ((segid  B and resid  30 and name HD1* ))   ((segid  B and resid  59 and name HG   ))    1.80  0.00  2.24
 assign ((segid  B and resid  30 and name HD1* ))   ((segid  B and resid  59 and name HN   ))    1.80  0.00  3.33
 assign ((segid  B and resid  30 and name HG2* ))   ((segid  B and resid  31 and name HD2* ))    1.80  0.00  2.56
 assign ((segid  B and resid  30 and name HG2* ))   ((segid  B and resid  31 and name HN   ))    1.80  0.00  2.46
 assign ((segid  B and resid  30 and name HG2* ))   ((segid  B and resid  32 and name HN   ))    1.80  0.00  3.88
 assign ((segid  B and resid  30 and name HG2* ))   ((segid  B and resid  33 and name HB*  ))    1.80  0.00  3.34
 assign ((segid  B and resid  30 and name HG2* ))   ((segid  B and resid  34 and name HN   ))    1.80  0.00  3.13
 assign ((segid  B and resid  30 and name HG2* ))   ((segid  B and resid  44 and name HD1* ))    1.80  0.00  1.70
 assign ((segid  B and resid  30 and name HG2* ))   ((segid  B and resid  48 and name HG2* ))    1.80  0.00  4.25
 assign ((segid  B and resid  30 and name HG2* ))   ((segid  B and resid  55 and name HB*  ))    1.80  0.00  4.25
 assign ((segid  B and resid  30 and name HG2* ))   ((segid  B and resid  59 and name HA   ))    1.80  0.00  3.11
 assign ((segid  B and resid  30 and name HG2* ))   ((segid  B and resid  59 and name HD2* ))    1.80  0.00  1.25
 assign ((segid  B and resid  30 and name HG2* ))   ((segid  B and resid  79 and name HB1  ))    1.80  0.00  4.25
 assign ((segid  B and resid  30 and name HG2* ))   ((segid  B and resid  79 and name HB2  ))    1.80  0.00  4.25
 assign ((segid  B and resid  30 and name HN   ))   ((segid  B and resid  30 and name HD1* ))    1.80  0.00  2.25
 assign ((segid  B and resid  30 and name HN   ))   ((segid  B and resid  30 and name HG11 ))    1.80  0.00  3.02
 assign ((segid  B and resid  30 and name HN   ))   ((segid  B and resid  30 and name HG12 ))    1.80  0.00  3.02
 assign ((segid  B and resid  30 and name HN   ))   ((segid  B and resid  30 and name HG2* ))    1.80  0.00  2.88
 assign ((segid  B and resid  31 and name HA   ))   ((segid  B and resid  31 and name HD1* ))    1.80  0.00  2.72
 assign ((segid  B and resid  31 and name HA   ))   ((segid  B and resid  31 and name HD2* ))    1.80  0.00  1.69
 assign ((segid  B and resid  31 and name HA   ))   ((segid  B and resid  34 and name HB*  ))    1.80  0.00  3.24
 assign ((segid  B and resid  31 and name HA   ))   ((segid  B and resid  34 and name HD1* ))    1.80  0.00  3.20
 assign ((segid  B and resid  31 and name HA   ))   ((segid  B and resid  34 and name HN   ))    1.80  0.00  3.61
 assign ((segid  B and resid  31 and name HA   ))   ((segid  B and resid  35 and name HN   ))    1.80  0.00  3.74
 assign ((segid  B and resid  31 and name HA   ))   ((segid  B and resid  62 and name HD1* ))    1.80  0.00  3.59
 assign ((segid  B and resid  31 and name HA   ))   ((segid  B and resid  81 and name HD1* ))    1.80  0.00  2.85
 assign ((segid  B and resid  31 and name HB*  ))   ((segid  B and resid  31 and name HD1* ))    1.80  0.00  1.79
 assign ((segid  B and resid  31 and name HB*  ))   ((segid  B and resid  31 and name HD2* ))    1.80  0.00  1.53
 assign ((segid  B and resid  31 and name HB*  ))   ((segid  B and resid  62 and name HD1* ))    1.80  0.00  3.58
 assign ((segid  B and resid  31 and name HB*  ))   ((segid  B and resid  90 and name HD*  ))    1.80  0.00  3.24
 assign ((segid  B and resid  31 and name HB*  ))   ((segid  B and resid  90 and name HE*  ))    1.80  0.00  2.93
 assign ((segid  B and resid  31 and name HB*  ))   ((segid  B and resid  90 and name HZ   ))    1.80  0.00  4.07
 assign ((segid  B and resid  31 and name HB1  ))   ((segid  B and resid  32 and name HN   ))    1.80  0.00  2.81
 assign ((segid  B and resid  31 and name HB2  ))   ((segid  B and resid  32 and name HN   ))    1.80  0.00  2.81
 assign ((segid  B and resid  31 and name HD1* ))   ((segid  B and resid  32 and name HN   ))    1.80  0.00  3.28
 assign ((segid  B and resid  31 and name HD1* ))   ((segid  B and resid  62 and name HB*  ))    1.80  0.00  4.25
 assign ((segid  B and resid  31 and name HD1* ))   ((segid  B and resid  67 and name HB*  ))    1.80  0.00  3.14
 assign ((segid  B and resid  31 and name HD1* ))   ((segid  B and resid  67 and name HG   ))    1.80  0.00  3.49
 assign ((segid  B and resid  31 and name HD1* ))   ((segid  B and resid  86 and name HG1* ))    1.80  0.00  2.80
 assign ((segid  B and resid  31 and name HD1* ))   ((segid  B and resid  90 and name HD*  ))    1.80  0.00  2.80
 assign ((segid  B and resid  31 and name HD1* ))   ((segid  B and resid  90 and name HE*  ))    1.80  0.00  2.90
 assign ((segid  B and resid  31 and name HD2* ))   ((segid  B and resid  32 and name HN   ))    1.80  0.00  4.10
 assign ((segid  B and resid  31 and name HD2* ))   ((segid  B and resid  34 and name HN   ))    1.80  0.00  3.83
 assign ((segid  B and resid  31 and name HD2* ))   ((segid  B and resid  62 and name HB*  ))    1.80  0.00  4.02
 assign ((segid  B and resid  31 and name HD2* ))   ((segid  B and resid  62 and name HD1* ))    1.80  0.00  2.27
 assign ((segid  B and resid  31 and name HD2* ))   ((segid  B and resid  67 and name HA   ))    1.80  0.00  4.04
 assign ((segid  B and resid  31 and name HD2* ))   ((segid  B and resid  67 and name HB*  ))    1.80  0.00  3.20
 assign ((segid  B and resid  31 and name HD2* ))   ((segid  B and resid  67 and name HD1* ))    1.80  0.00  3.27
 assign ((segid  B and resid  31 and name HD2* ))   ((segid  B and resid  68 and name HB   ))    1.80  0.00  4.25
 assign ((segid  B and resid  31 and name HD2* ))   ((segid  B and resid  68 and name HG1* ))    1.80  0.00  1.72
 assign ((segid  B and resid  31 and name HD2* ))   ((segid  B and resid  81 and name HA   ))    1.80  0.00  2.88
 assign ((segid  B and resid  31 and name HD2* ))   ((segid  B and resid  81 and name HD1* ))    1.80  0.00  2.05
 assign ((segid  B and resid  31 and name HD2* ))   ((segid  B and resid  81 and name HG2* ))    1.80  0.00  3.01
 assign ((segid  B and resid  31 and name HD2* ))   ((segid  B and resid  82 and name HN   ))    1.80  0.00  4.25
 assign ((segid  B and resid  31 and name HD2* ))   ((segid  B and resid  86 and name HG1* ))    1.80  0.00  2.37
 assign ((segid  B and resid  31 and name HD2* ))   ((segid  B and resid  90 and name HD*  ))    1.80  0.00  2.79
 assign ((segid  B and resid  31 and name HD2* ))   ((segid  B and resid  90 and name HE*  ))    1.80  0.00  3.36
 assign ((segid  B and resid  31 and name HG   ))   ((segid  B and resid  62 and name HD1* ))    1.80  0.00  2.36
 assign ((segid  B and resid  31 and name HN   ))   ((segid  B and resid  31 and name HD1* ))    1.80  0.00  2.78
 assign ((segid  B and resid  31 and name HN   ))   ((segid  B and resid  31 and name HD2* ))    1.80  0.00  2.38
 assign ((segid  B and resid  31 and name HN   ))   ((segid  B and resid  31 and name HG   ))    1.80  0.00  2.77
 assign ((segid  B and resid  31 and name HN   ))   ((segid  B and resid  32 and name HN   ))    1.80  0.00  2.67
 assign ((segid  B and resid  31 and name HN   ))   ((segid  B and resid  62 and name HD1* ))    1.80  0.00  2.72
 assign ((segid  B and resid  32 and name HA   ))   ((segid  B and resid  35 and name HB*  ))    1.80  0.00  1.97
 assign ((segid  B and resid  32 and name HA   ))   ((segid  B and resid  35 and name HN   ))    1.80  0.00  3.00
 assign ((segid  B and resid  32 and name HA   ))   ((segid  B and resid  90 and name HE*  ))    1.80  0.00  2.43
 assign ((segid  B and resid  32 and name HB*  ))   ((segid  B and resid  33 and name HB*  ))    1.80  0.00  3.66
 assign ((segid  B and resid  32 and name HB*  ))   ((segid  B and resid  33 and name HN   ))    1.80  0.00  2.38
 assign ((segid  B and resid  32 and name HN   ))   ((segid  B and resid  32 and name HB*  ))    1.80  0.00  1.97
 assign ((segid  B and resid  32 and name HN   ))   ((segid  B and resid  33 and name HN   ))    1.80  0.00  2.49
 assign ((segid  B and resid  32 and name HN   ))   ((segid  B and resid  90 and name HZ   ))    1.80  0.00  3.03
 assign ((segid  B and resid  33 and name HA   ))   ((segid  B and resid  33 and name HD*  ))    1.80  0.00  1.80
 assign ((segid  B and resid  33 and name HA   ))   ((segid  B and resid  33 and name HD1* ))    1.80  0.00  2.59
 assign ((segid  B and resid  33 and name HA   ))   ((segid  B and resid  33 and name HD2* ))    1.80  0.00  2.59
 assign ((segid  B and resid  33 and name HA   ))   ((segid  B and resid  33 and name HG   ))    1.80  0.00  2.40
 assign ((segid  B and resid  33 and name HA   ))   ((segid  B and resid  36 and name HE2* ))    1.80  0.00  3.44
 assign ((segid  B and resid  33 and name HB*  ))   ((segid  B and resid  34 and name HN   ))    1.80  0.00  2.13
 assign ((segid  B and resid  33 and name HD*  ))   ((segid  B and resid  34 and name HN   ))    1.80  0.00  2.95
 assign ((segid  B and resid  33 and name HD*  ))   ((segid  B and resid  36 and name HB*  ))    1.80  0.00  3.89
 assign ((segid  B and resid  33 and name HD*  ))   ((segid  B and resid  36 and name HE2* ))    1.80  0.00  2.22
 assign ((segid  B and resid  33 and name HD*  ))   ((segid  B and resid  36 and name HG*  ))    1.80  0.00  2.50
 assign ((segid  B and resid  33 and name HD*  ))   ((segid  B and resid  36 and name HN   ))    1.80  0.00  4.39
 assign ((segid  B and resid  33 and name HD*  ))   ((segid  B and resid  37 and name HN   ))    1.80  0.00  6.01
 assign ((segid  B and resid  33 and name HD*  ))   ((segid  B and resid  39 and name HD*  ))    1.80  0.00  2.63
 assign ((segid  B and resid  33 and name HD*  ))   ((segid  B and resid  39 and name HE   ))    1.80  0.00  4.25
 assign ((segid  B and resid  33 and name HD*  ))   ((segid  B and resid  43 and name HB*  ))    1.80  0.00  2.75
 assign ((segid  B and resid  33 and name HD*  ))   ((segid  B and resid  44 and name HA   ))    1.80  0.00  1.92
 assign ((segid  B and resid  33 and name HD*  ))   ((segid  B and resid  44 and name HN   ))    1.80  0.00  3.11
 assign ((segid  B and resid  33 and name HD*  ))   ((segid  B and resid  47 and name HB*  ))    1.80  0.00  1.18
 assign ((segid  B and resid  33 and name HD*  ))   ((segid  B and resid  47 and name HN   ))    1.80  0.00  3.08
 assign ((segid  B and resid  33 and name HG   ))   ((segid  B and resid  36 and name HE2* ))    1.80  0.00  3.71
 assign ((segid  B and resid  33 and name HG   ))   ((segid  B and resid  39 and name HE   ))    1.80  0.00  4.25
 assign ((segid  B and resid  33 and name HN   ))   ((segid  B and resid  33 and name HB*  ))    1.80  0.00  1.73
 assign ((segid  B and resid  33 and name HN   ))   ((segid  B and resid  33 and name HD1* ))    1.80  0.00  2.97
 assign ((segid  B and resid  33 and name HN   ))   ((segid  B and resid  33 and name HD2* ))    1.80  0.00  2.97
 assign ((segid  B and resid  33 and name HN   ))   ((segid  B and resid  33 and name HG   ))    1.80  0.00  3.50
 assign ((segid  B and resid  33 and name HN   ))   ((segid  B and resid  34 and name HN   ))    1.80  0.00  2.53
 assign ((segid  B and resid  33 and name HN   ))   ((segid  B and resid  35 and name HN   ))    1.80  0.00  3.63
 assign ((segid  B and resid  34 and name HA   ))   ((segid  B and resid  34 and name HD1* ))    1.80  0.00  2.84
 assign ((segid  B and resid  34 and name HA   ))   ((segid  B and resid  34 and name HD2* ))    1.80  0.00  1.83
 assign ((segid  B and resid  34 and name HA   ))   ((segid  B and resid  37 and name HN   ))    1.80  0.00  2.62
 assign ((segid  B and resid  34 and name HB*  ))   ((segid  B and resid  80 and name HA   ))    1.80  0.00  2.77
 assign ((segid  B and resid  34 and name HB1  ))   ((segid  B and resid  34 and name HD1* ))    1.80  0.00  2.63
 assign ((segid  B and resid  34 and name HB2  ))   ((segid  B and resid  34 and name HD1* ))    1.80  0.00  2.63
 assign ((segid  B and resid  34 and name HD1* ))   ((segid  B and resid  80 and name HA   ))    1.80  0.00  3.40
 assign ((segid  B and resid  34 and name HD2* ))   ((segid  B and resid  37 and name HN   ))    1.80  0.00  3.34
 assign ((segid  B and resid  34 and name HD2* ))   ((segid  B and resid  39 and name HB*  ))    1.80  0.00  1.60
 assign ((segid  B and resid  34 and name HD2* ))   ((segid  B and resid  39 and name HN   ))    1.80  0.00  2.23
 assign ((segid  B and resid  34 and name HD2* ))   ((segid  B and resid  80 and name HA   ))    1.80  0.00  2.75
 assign ((segid  B and resid  34 and name HG   ))   ((segid  B and resid  59 and name HD2* ))    1.80  0.00  3.98
 assign ((segid  B and resid  34 and name HN   ))   ((segid  B and resid  34 and name HD1* ))    1.80  0.00  3.17
 assign ((segid  B and resid  34 and name HN   ))   ((segid  B and resid  34 and name HD2* ))    1.80  0.00  3.17
 assign ((segid  B and resid  34 and name HN   ))   ((segid  B and resid  34 and name HG   ))    1.80  0.00  3.48
 assign ((segid  B and resid  34 and name HN   ))   ((segid  B and resid  81 and name HD1* ))    1.80  0.00  4.07
 assign ((segid  B and resid  35 and name HA   ))   ((segid  B and resid  37 and name HN   ))    1.80  0.00  3.07
 assign ((segid  B and resid  35 and name HA   ))   ((segid  B and resid  81 and name HD1* ))    1.80  0.00  2.04
 assign ((segid  B and resid  35 and name HB*  ))   ((segid  B and resid  36 and name HA   ))    1.80  0.00  2.63
 assign ((segid  B and resid  35 and name HB*  ))   ((segid  B and resid  36 and name HE2* ))    1.80  0.00  4.07
 assign ((segid  B and resid  35 and name HB*  ))   ((segid  B and resid  36 and name HN   ))    1.80  0.00  2.07
 assign ((segid  B and resid  35 and name HB*  ))   ((segid  B and resid  37 and name HN   ))    1.80  0.00  3.59
 assign ((segid  B and resid  35 and name HB*  ))   ((segid  B and resid  81 and name HD1* ))    1.80  0.00  2.77
 assign ((segid  B and resid  35 and name HB*  ))   ((segid  B and resid  90 and name HD*  ))    1.80  0.00  2.46
 assign ((segid  B and resid  35 and name HB*  ))   ((segid  B and resid  90 and name HE*  ))    1.80  0.00  2.64
 assign ((segid  B and resid  35 and name HN   ))   ((segid  B and resid  35 and name HB*  ))    1.80  0.00  1.29
 assign ((segid  B and resid  35 and name HN   ))   ((segid  B and resid  36 and name HN   ))    1.80  0.00  2.58
 assign ((segid  B and resid  35 and name HN   ))   ((segid  B and resid  81 and name HD1* ))    1.80  0.00  2.90
 assign ((segid  B and resid  36 and name HB*  ))   ((segid  B and resid  37 and name HN   ))    1.80  0.00  2.51
 assign ((segid  B and resid  36 and name HG*  ))   ((segid  B and resid  36 and name HE2* ))    1.80  0.00  1.68
 assign ((segid  B and resid  36 and name HG*  ))   ((segid  B and resid  37 and name HN   ))    1.80  0.00  2.88
 assign ((segid  B and resid  36 and name HN   ))   ((segid  B and resid  36 and name HB*  ))    1.80  0.00  1.72
 assign ((segid  B and resid  36 and name HN   ))   ((segid  B and resid  36 and name HG*  ))    1.80  0.00  2.29
 assign ((segid  B and resid  37 and name HA*  ))   ((segid  B and resid  38 and name HB*  ))    1.80  0.00  2.73
 assign ((segid  B and resid  37 and name HA1  ))   ((segid  B and resid  38 and name HN   ))    1.80  0.00  1.81
 assign ((segid  B and resid  37 and name HA2  ))   ((segid  B and resid  38 and name HN   ))    1.80  0.00  1.81
 assign ((segid  B and resid  37 and name HN   ))   ((segid  B and resid  38 and name HN   ))    1.80  0.00  3.64
 assign ((segid  B and resid  38 and name HA   ))   ((segid  B and resid  39 and name HN   ))    1.80  0.00  1.99
 assign ((segid  B and resid  38 and name HA   ))   ((segid  B and resid  80 and name HA   ))    1.80  0.00  2.77
 assign ((segid  B and resid  38 and name HB*  ))   ((segid  B and resid  80 and name HE   ))    1.80  0.00  3.64
 assign ((segid  B and resid  38 and name HB*  ))   ((segid  B and resid  80 and name HG*  ))    1.80  0.00  3.21
 assign ((segid  B and resid  38 and name HG*  ))   ((segid  B and resid  39 and name HN   ))    1.80  0.00  2.74
 assign ((segid  B and resid  38 and name HG*  ))   ((segid  B and resid  78 and name HB*  ))    1.80  0.00  2.62
 assign ((segid  B and resid  38 and name HG*  ))   ((segid  B and resid  78 and name HD*  ))    1.80  0.00  3.33
 assign ((segid  B and resid  38 and name HN   ))   ((segid  B and resid  38 and name HB*  ))    1.80  0.00  1.64
 assign ((segid  B and resid  38 and name HN   ))   ((segid  B and resid  38 and name HG*  ))    1.80  0.00  2.61
 assign ((segid  B and resid  38 and name HN   ))   ((segid  B and resid  39 and name HN   ))    1.80  0.00  3.48
 assign ((segid  B and resid  39 and name HA   ))   ((segid  B and resid  39 and name HD*  ))    1.80  0.00  2.75
 assign ((segid  B and resid  39 and name HA   ))   ((segid  B and resid  40 and name HN   ))    1.80  0.00  1.76
 assign ((segid  B and resid  39 and name HA   ))   ((segid  B and resid  43 and name HB*  ))    1.80  0.00  2.80
 assign ((segid  B and resid  39 and name HA   ))   ((segid  B and resid  44 and name HD1* ))    1.80  0.00  4.25
 assign ((segid  B and resid  39 and name HB*  ))   ((segid  B and resid  39 and name HE   ))    1.80  0.00  4.07
 assign ((segid  B and resid  39 and name HB*  ))   ((segid  B and resid  40 and name HN   ))    1.80  0.00  2.64
 assign ((segid  B and resid  39 and name HD*  ))   ((segid  B and resid  40 and name HN   ))    1.80  0.00  3.40
 assign ((segid  B and resid  39 and name HD*  ))   ((segid  B and resid  43 and name HB*  ))    1.80  0.00  2.94
 assign ((segid  B and resid  39 and name HG*  ))   ((segid  B and resid  40 and name HN   ))    1.80  0.00  3.24
 assign ((segid  B and resid  39 and name HN   ))   ((segid  B and resid  79 and name HN   ))    1.80  0.00  3.05
 assign ((segid  B and resid  40 and name HA   ))   ((segid  B and resid  41 and name HG1* ))    1.80  0.00  4.25
 assign ((segid  B and resid  40 and name HA   ))   ((segid  B and resid  41 and name HG2* ))    1.80  0.00  2.57
 assign ((segid  B and resid  40 and name HA   ))   ((segid  B and resid  41 and name HN   ))    1.80  0.00  2.12
 assign ((segid  B and resid  40 and name HA   ))   ((segid  B and resid  78 and name HA   ))    1.80  0.00  2.24
 assign ((segid  B and resid  40 and name HA   ))   ((segid  B and resid  79 and name HN   ))    1.80  0.00  2.61
 assign ((segid  B and resid  40 and name HB*  ))   ((segid  B and resid  41 and name HA   ))    1.80  0.00  3.44
 assign ((segid  B and resid  40 and name HB*  ))   ((segid  B and resid  41 and name HG1* ))    1.80  0.00  4.12
 assign ((segid  B and resid  40 and name HB*  ))   ((segid  B and resid  41 and name HN   ))    1.80  0.00  1.96
 assign ((segid  B and resid  40 and name HB*  ))   ((segid  B and resid  42 and name HB*  ))    1.80  0.00  2.47
 assign ((segid  B and resid  40 and name HB*  ))   ((segid  B and resid  42 and name HG*  ))    1.80  0.00  3.15
 assign ((segid  B and resid  40 and name HB*  ))   ((segid  B and resid  42 and name HN   ))    1.80  0.00  2.37
 assign ((segid  B and resid  40 and name HB*  ))   ((segid  B and resid  43 and name HB*  ))    1.80  0.00  2.21
 assign ((segid  B and resid  40 and name HB*  ))   ((segid  B and resid  43 and name HN   ))    1.80  0.00  2.33
 assign ((segid  B and resid  40 and name HB*  ))   ((segid  B and resid  44 and name HD1* ))    1.80  0.00  3.48
 assign ((segid  B and resid  40 and name HB*  ))   ((segid  B and resid  44 and name HN   ))    1.80  0.00  3.71
 assign ((segid  B and resid  40 and name HB*  ))   ((segid  B and resid  52 and name HD*  ))    1.80  0.00  4.18
 assign ((segid  B and resid  40 and name HB*  ))   ((segid  B and resid  76 and name HD*  ))    1.80  0.00  1.80
 assign ((segid  B and resid  40 and name HB*  ))   ((segid  B and resid  78 and name HB*  ))    1.80  0.00  4.07
 assign ((segid  B and resid  40 and name HB*  ))   ((segid  B and resid  78 and name HD*  ))    1.80  0.00  2.23
 assign ((segid  B and resid  40 and name HB*  ))   ((segid  B and resid  78 and name HE*  ))    1.80  0.00  2.08
 assign ((segid  B and resid  40 and name HN   ))   ((segid  B and resid  40 and name HB*  ))    1.80  0.00  1.75
 assign ((segid  B and resid  40 and name HN   ))   ((segid  B and resid  43 and name HB*  ))    1.80  0.00  2.30
 assign ((segid  B and resid  40 and name HN   ))   ((segid  B and resid  78 and name HD*  ))    1.80  0.00  2.81
 assign ((segid  B and resid  40 and name HN   ))   ((segid  B and resid  78 and name HE*  ))    1.80  0.00  2.66
 assign ((segid  B and resid  41 and name HA   ))   ((segid  B and resid  41 and name HG1* ))    1.80  0.00  1.86
 assign ((segid  B and resid  41 and name HA   ))   ((segid  B and resid  41 and name HG2* ))    1.80  0.00  1.65
 assign ((segid  B and resid  41 and name HA   ))   ((segid  B and resid  44 and name HB   ))    1.80  0.00  3.13
 assign ((segid  B and resid  41 and name HA   ))   ((segid  B and resid  44 and name HD1* ))    1.80  0.00  1.86
 assign ((segid  B and resid  41 and name HA   ))   ((segid  B and resid  44 and name HN   ))    1.80  0.00  3.51
 assign ((segid  B and resid  41 and name HA   ))   ((segid  B and resid  45 and name HN   ))    1.80  0.00  3.61
 assign ((segid  B and resid  41 and name HA   ))   ((segid  B and resid  59 and name HD1* ))    1.80  0.00  2.66
 assign ((segid  B and resid  41 and name HB   ))   ((segid  B and resid  42 and name HN   ))    1.80  0.00  2.34
 assign ((segid  B and resid  41 and name HB   ))   ((segid  B and resid  52 and name HD*  ))    1.80  0.00  2.50
 assign ((segid  B and resid  41 and name HB   ))   ((segid  B and resid  59 and name HD1* ))    1.80  0.00  3.01
 assign ((segid  B and resid  41 and name HB   ))   ((segid  B and resid  79 and name HE*  ))    1.80  0.00  3.48
 assign ((segid  B and resid  41 and name HG1* ))   ((segid  B and resid  42 and name HN   ))    1.80  0.00  2.26
 assign ((segid  B and resid  41 and name HG1* ))   ((segid  B and resid  43 and name HN   ))    1.80  0.00  3.68
 assign ((segid  B and resid  41 and name HG1* ))   ((segid  B and resid  44 and name HN   ))    1.80  0.00  3.80
 assign ((segid  B and resid  41 and name HG1* ))   ((segid  B and resid  45 and name HB*  ))    1.80  0.00  2.12
 assign ((segid  B and resid  41 and name HG1* ))   ((segid  B and resid  45 and name HN   ))    1.80  0.00  3.63
 assign ((segid  B and resid  41 and name HG1* ))   ((segid  B and resid  52 and name HB*  ))    1.80  0.00  3.44
 assign ((segid  B and resid  41 and name HG1* ))   ((segid  B and resid  55 and name HB*  ))    1.80  0.00  2.03
 assign ((segid  B and resid  41 and name HG1* ))   ((segid  B and resid  56 and name HA   ))    1.80  0.00  2.33
 assign ((segid  B and resid  41 and name HG1* ))   ((segid  B and resid  56 and name HB*  ))    1.80  0.00  3.29
 assign ((segid  B and resid  41 and name HG1* ))   ((segid  B and resid  56 and name HN   ))    1.80  0.00  3.17
 assign ((segid  B and resid  41 and name HG1* ))   ((segid  B and resid  59 and name HB*  ))    1.80  0.00  4.06
 assign ((segid  B and resid  41 and name HG1* ))   ((segid  B and resid  59 and name HD1* ))    1.80  0.00  1.73
 assign ((segid  B and resid  41 and name HG1* ))   ((segid  B and resid  79 and name HE*  ))    1.80  0.00  3.09
 assign ((segid  B and resid  41 and name HG2* ))   ((segid  B and resid  42 and name HN   ))    1.80  0.00  2.72
 assign ((segid  B and resid  41 and name HG2* ))   ((segid  B and resid  44 and name HN   ))    1.80  0.00  4.15
 assign ((segid  B and resid  41 and name HG2* ))   ((segid  B and resid  56 and name HB*  ))    1.80  0.00  3.23
 assign ((segid  B and resid  41 and name HG2* ))   ((segid  B and resid  59 and name HD1* ))    1.80  0.00  1.41
 assign ((segid  B and resid  41 and name HG2* ))   ((segid  B and resid  59 and name HD2* ))    1.80  0.00  2.67
 assign ((segid  B and resid  41 and name HG2* ))   ((segid  B and resid  77 and name HB*  ))    1.80  0.00  1.59
 assign ((segid  B and resid  41 and name HG2* ))   ((segid  B and resid  77 and name HG*  ))    1.80  0.00  2.67
 assign ((segid  B and resid  41 and name HG2* ))   ((segid  B and resid  79 and name HD*  ))    1.80  0.00  2.03
 assign ((segid  B and resid  41 and name HG2* ))   ((segid  B and resid  79 and name HE*  ))    1.80  0.00  1.70
 assign ((segid  B and resid  41 and name HN   ))   ((segid  B and resid  41 and name HB   ))    1.80  0.00  2.12
 assign ((segid  B and resid  41 and name HN   ))   ((segid  B and resid  41 and name HG1* ))    1.80  0.00  2.40
 assign ((segid  B and resid  41 and name HN   ))   ((segid  B and resid  41 and name HG2* ))    1.80  0.00  1.43
 assign ((segid  B and resid  41 and name HN   ))   ((segid  B and resid  42 and name HN   ))    1.80  0.00  2.78
 assign ((segid  B and resid  41 and name HN   ))   ((segid  B and resid  44 and name HD1* ))    1.80  0.00  3.09
 assign ((segid  B and resid  42 and name HA   ))   ((segid  B and resid  42 and name HG*  ))    1.80  0.00  1.91
 assign ((segid  B and resid  42 and name HA   ))   ((segid  B and resid  45 and name HB*  ))    1.80  0.00  2.36
 assign ((segid  B and resid  42 and name HA   ))   ((segid  B and resid  45 and name HN   ))    1.80  0.00  2.81
 assign ((segid  B and resid  42 and name HA   ))   ((segid  B and resid  46 and name HN   ))    1.80  0.00  3.53
 assign ((segid  B and resid  42 and name HA   ))   ((segid  B and resid  52 and name HD*  ))    1.80  0.00  1.54
 assign ((segid  B and resid  42 and name HB*  ))   ((segid  B and resid  43 and name HA   ))    1.80  0.00  3.84
 assign ((segid  B and resid  42 and name HB*  ))   ((segid  B and resid  43 and name HN   ))    1.80  0.00  2.18
 assign ((segid  B and resid  42 and name HB*  ))   ((segid  B and resid  45 and name HB*  ))    1.80  0.00  3.82
 assign ((segid  B and resid  42 and name HB*  ))   ((segid  B and resid  52 and name HD1* ))    1.80  0.00  3.35
 assign ((segid  B and resid  42 and name HB*  ))   ((segid  B and resid  52 and name HD2* ))    1.80  0.00  3.35
 assign ((segid  B and resid  42 and name HG*  ))   ((segid  B and resid  43 and name HN   ))    1.80  0.00  3.23
 assign ((segid  B and resid  42 and name HG*  ))   ((segid  B and resid  45 and name HB*  ))    1.80  0.00  2.89
 assign ((segid  B and resid  42 and name HG*  ))   ((segid  B and resid  52 and name HD*  ))    1.80  0.00  1.18
 assign ((segid  B and resid  42 and name HG*  ))   ((segid  B and resid  52 and name HG   ))    1.80  0.00  2.67
 assign ((segid  B and resid  42 and name HG1  ))   ((segid  B and resid  52 and name HD1* ))    1.80  0.00  2.54
 assign ((segid  B and resid  42 and name HG1  ))   ((segid  B and resid  52 and name HD2* ))    1.80  0.00  2.54
 assign ((segid  B and resid  42 and name HG2  ))   ((segid  B and resid  52 and name HD1* ))    1.80  0.00  2.54
 assign ((segid  B and resid  42 and name HG2  ))   ((segid  B and resid  52 and name HD2* ))    1.80  0.00  2.54
 assign ((segid  B and resid  42 and name HN   ))   ((segid  B and resid  42 and name HB*  ))    1.80  0.00  1.80
 assign ((segid  B and resid  42 and name HN   ))   ((segid  B and resid  42 and name HG*  ))    1.80  0.00  2.19
 assign ((segid  B and resid  42 and name HN   ))   ((segid  B and resid  43 and name HB*  ))    1.80  0.00  3.24
 assign ((segid  B and resid  42 and name HN   ))   ((segid  B and resid  43 and name HN   ))    1.80  0.00  2.30
 assign ((segid  B and resid  42 and name HN   ))   ((segid  B and resid  52 and name HD1* ))    1.80  0.00  3.99
 assign ((segid  B and resid  42 and name HN   ))   ((segid  B and resid  52 and name HD2* ))    1.80  0.00  3.99
 assign ((segid  B and resid  43 and name HA   ))   ((segid  B and resid  46 and name HB   ))    1.80  0.00  2.30
 assign ((segid  B and resid  43 and name HA   ))   ((segid  B and resid  46 and name HG2* ))    1.80  0.00  4.24
 assign ((segid  B and resid  43 and name HA   ))   ((segid  B and resid  46 and name HN   ))    1.80  0.00  2.68
 assign ((segid  B and resid  43 and name HA   ))   ((segid  B and resid  47 and name HN   ))    1.80  0.00  3.55
 assign ((segid  B and resid  43 and name HB*  ))   ((segid  B and resid  44 and name HA   ))    1.80  0.00  2.88
 assign ((segid  B and resid  43 and name HB*  ))   ((segid  B and resid  44 and name HD1* ))    1.80  0.00  3.13
 assign ((segid  B and resid  43 and name HB*  ))   ((segid  B and resid  44 and name HN   ))    1.80  0.00  2.08
 assign ((segid  B and resid  43 and name HB*  ))   ((segid  B and resid  45 and name HN   ))    1.80  0.00  3.29
 assign ((segid  B and resid  43 and name HN   ))   ((segid  B and resid  43 and name HB*  ))    1.80  0.00  1.59
 assign ((segid  B and resid  43 and name HN   ))   ((segid  B and resid  44 and name HN   ))    1.80  0.00  2.10
 assign ((segid  B and resid  44 and name HA   ))   ((segid  B and resid  47 and name HB*  ))    1.80  0.00  1.98
 assign ((segid  B and resid  44 and name HA   ))   ((segid  B and resid  47 and name HN   ))    1.80  0.00  3.07
 assign ((segid  B and resid  44 and name HA   ))   ((segid  B and resid  48 and name HG2* ))    1.80  0.00  3.37
 assign ((segid  B and resid  44 and name HB   ))   ((segid  B and resid  45 and name HN   ))    1.80  0.00  2.34
 assign ((segid  B and resid  44 and name HB   ))   ((segid  B and resid  59 and name HD1* ))    1.80  0.00  3.94
 assign ((segid  B and resid  44 and name HD1* ))   ((segid  B and resid  45 and name HB*  ))    1.80  0.00  3.55
 assign ((segid  B and resid  44 and name HD1* ))   ((segid  B and resid  45 and name HN   ))    1.80  0.00  3.61
 assign ((segid  B and resid  44 and name HD1* ))   ((segid  B and resid  59 and name HD1* ))    1.80  0.00  1.70
 assign ((segid  B and resid  44 and name HD1* ))   ((segid  B and resid  59 and name HD2* ))    1.80  0.00  1.36
 assign ((segid  B and resid  44 and name HD1* ))   ((segid  B and resid  79 and name HD*  ))    1.80  0.00  2.92
 assign ((segid  B and resid  44 and name HD1* ))   ((segid  B and resid  79 and name HN   ))    1.80  0.00  3.56
 assign ((segid  B and resid  44 and name HG2* ))   ((segid  B and resid  45 and name HA   ))    1.80  0.00  2.96
 assign ((segid  B and resid  44 and name HG2* ))   ((segid  B and resid  45 and name HN   ))    1.80  0.00  2.48
 assign ((segid  B and resid  44 and name HG2* ))   ((segid  B and resid  47 and name HB*  ))    1.80  0.00  2.31
 assign ((segid  B and resid  44 and name HG2* ))   ((segid  B and resid  48 and name HB   ))    1.80  0.00  3.89
 assign ((segid  B and resid  44 and name HG2* ))   ((segid  B and resid  48 and name HG2* ))    1.80  0.00  2.02
 assign ((segid  B and resid  44 and name HG2* ))   ((segid  B and resid  48 and name HN   ))    1.80  0.00  2.92
 assign ((segid  B and resid  44 and name HG2* ))   ((segid  B and resid  55 and name HB*  ))    1.80  0.00  2.37
 assign ((segid  B and resid  44 and name HG2* ))   ((segid  B and resid  59 and name HD1* ))    1.80  0.00  2.86
 assign ((segid  B and resid  44 and name HG2* ))   ((segid  B and resid  59 and name HD2* ))    1.80  0.00  3.16
 assign ((segid  B and resid  44 and name HN   ))   ((segid  B and resid  44 and name HB   ))    1.80  0.00  2.28
 assign ((segid  B and resid  44 and name HN   ))   ((segid  B and resid  44 and name HD1* ))    1.80  0.00  2.31
 assign ((segid  B and resid  44 and name HN   ))   ((segid  B and resid  44 and name HG1* ))    1.80  0.00  3.28
 assign ((segid  B and resid  44 and name HN   ))   ((segid  B and resid  44 and name HG2* ))    1.80  0.00  2.46
 assign ((segid  B and resid  44 and name HN   ))   ((segid  B and resid  45 and name HN   ))    1.80  0.00  2.33
 assign ((segid  B and resid  44 and name HN   ))   ((segid  B and resid  59 and name HD1* ))    1.80  0.00  4.25
 assign ((segid  B and resid  45 and name HA   ))   ((segid  B and resid  48 and name HN   ))    1.80  0.00  3.41
 assign ((segid  B and resid  45 and name HA   ))   ((segid  B and resid  50 and name HN   ))    1.80  0.00  2.24
 assign ((segid  B and resid  45 and name HA   ))   ((segid  B and resid  55 and name HB*  ))    1.80  0.00  2.14
 assign ((segid  B and resid  45 and name HB*  ))   ((segid  B and resid  46 and name HN   ))    1.80  0.00  1.78
 assign ((segid  B and resid  45 and name HB*  ))   ((segid  B and resid  50 and name HE*  ))    1.80  0.00  4.06
 assign ((segid  B and resid  45 and name HB*  ))   ((segid  B and resid  55 and name HB*  ))    1.80  0.00  1.62
 assign ((segid  B and resid  45 and name HN   ))   ((segid  B and resid  45 and name HB*  ))    1.80  0.00  1.56
 assign ((segid  B and resid  45 and name HN   ))   ((segid  B and resid  46 and name HB   ))    1.80  0.00  3.80
 assign ((segid  B and resid  45 and name HN   ))   ((segid  B and resid  46 and name HN   ))    1.80  0.00  2.25
 assign ((segid  B and resid  45 and name HN   ))   ((segid  B and resid  52 and name HD*  ))    1.80  0.00  3.52
 assign ((segid  B and resid  45 and name HN   ))   ((segid  B and resid  55 and name HB*  ))    1.80  0.00  2.75
 assign ((segid  B and resid  46 and name HA   ))   ((segid  B and resid  46 and name HG2* ))    1.80  0.00  1.49
 assign ((segid  B and resid  46 and name HA   ))   ((segid  B and resid  48 and name HN   ))    1.80  0.00  3.49
 assign ((segid  B and resid  46 and name HA   ))   ((segid  B and resid  49 and name HN   ))    1.80  0.00  2.99
 assign ((segid  B and resid  46 and name HB   ))   ((segid  B and resid  47 and name HB*  ))    1.80  0.00  3.01
 assign ((segid  B and resid  46 and name HB   ))   ((segid  B and resid  47 and name HN   ))    1.80  0.00  1.80
 assign ((segid  B and resid  46 and name HG2* ))   ((segid  B and resid  47 and name HN   ))    1.80  0.00  2.16
 assign ((segid  B and resid  46 and name HN   ))   ((segid  B and resid  46 and name HB   ))    1.80  0.00  1.69
 assign ((segid  B and resid  46 and name HN   ))   ((segid  B and resid  46 and name HG2* ))    1.80  0.00  2.52
 assign ((segid  B and resid  46 and name HN   ))   ((segid  B and resid  47 and name HN   ))    1.80  0.00  1.89
 assign ((segid  B and resid  47 and name HB*  ))   ((segid  B and resid  48 and name HN   ))    1.80  0.00  2.15
 assign ((segid  B and resid  47 and name HB*  ))   ((segid  B and resid  49 and name HN   ))    1.80  0.00  3.25
 assign ((segid  B and resid  47 and name HN   ))   ((segid  B and resid  47 and name HB*  ))    1.80  0.00  1.38
 assign ((segid  B and resid  47 and name HN   ))   ((segid  B and resid  48 and name HG2* ))    1.80  0.00  3.93
 assign ((segid  B and resid  47 and name HN   ))   ((segid  B and resid  48 and name HN   ))    1.80  0.00  2.12
 assign ((segid  B and resid  48 and name HA   ))   ((segid  B and resid  48 and name HG2* ))    1.80  0.00  1.68
 assign ((segid  B and resid  48 and name HA   ))   ((segid  B and resid  50 and name HE*  ))    1.80  0.00  3.12
 assign ((segid  B and resid  48 and name HB   ))   ((segid  B and resid  50 and name HE*  ))    1.80  0.00  1.40
 assign ((segid  B and resid  48 and name HB   ))   ((segid  B and resid  50 and name HG*  ))    1.80  0.00  3.03
 assign ((segid  B and resid  48 and name HB   ))   ((segid  B and resid  50 and name HN   ))    1.80  0.00  3.53
 assign ((segid  B and resid  48 and name HG2* ))   ((segid  B and resid  49 and name HN   ))    1.80  0.00  3.00
 assign ((segid  B and resid  48 and name HG2* ))   ((segid  B and resid  50 and name HE*  ))    1.80  0.00  1.32
 assign ((segid  B and resid  48 and name HG2* ))   ((segid  B and resid  50 and name HN   ))    1.80  0.00  3.70
 assign ((segid  B and resid  48 and name HN   ))   ((segid  B and resid  48 and name HG2* ))    1.80  0.00  1.89
 assign ((segid  B and resid  48 and name HN   ))   ((segid  B and resid  49 and name HN   ))    1.80  0.00  2.03
 assign ((segid  B and resid  50 and name HA   ))   ((segid  B and resid  50 and name HE*  ))    1.80  0.00  3.57
 assign ((segid  B and resid  50 and name HA   ))   ((segid  B and resid  50 and name HG*  ))    1.80  0.00  2.01
 assign ((segid  B and resid  50 and name HA   ))   ((segid  B and resid  51 and name HN   ))    1.80  0.00  1.64
 assign ((segid  B and resid  50 and name HA   ))   ((segid  B and resid  54 and name HG2* ))    1.80  0.00  4.25
 assign ((segid  B and resid  50 and name HA   ))   ((segid  B and resid  55 and name HB*  ))    1.80  0.00  4.25
 assign ((segid  B and resid  50 and name HB*  ))   ((segid  B and resid  54 and name HG2* ))    1.80  0.00  2.93
 assign ((segid  B and resid  50 and name HB*  ))   ((segid  B and resid  55 and name HB*  ))    1.80  0.00  2.03
 assign ((segid  B and resid  50 and name HB*  ))   ((segid  B and resid  55 and name HN   ))    1.80  0.00  2.72
 assign ((segid  B and resid  50 and name HB1  ))   ((segid  B and resid  51 and name HN   ))    1.80  0.00  2.60
 assign ((segid  B and resid  50 and name HB2  ))   ((segid  B and resid  51 and name HN   ))    1.80  0.00  2.60
 assign ((segid  B and resid  50 and name HE*  ))   ((segid  B and resid  55 and name HA   ))    1.80  0.00  2.84
 assign ((segid  B and resid  50 and name HE*  ))   ((segid  B and resid  55 and name HB*  ))    1.80  0.00  2.97
 assign ((segid  B and resid  50 and name HE*  ))   ((segid  B and resid  55 and name HN   ))    1.80  0.00  3.83
 assign ((segid  B and resid  50 and name HE*  ))   ((segid  B and resid  58 and name HD2* ))    1.80  0.00  3.62
 assign ((segid  B and resid  50 and name HG*  ))   ((segid  B and resid  50 and name HE*  ))    1.80  0.00  1.57
 assign ((segid  B and resid  50 and name HG*  ))   ((segid  B and resid  54 and name HG2* ))    1.80  0.00  2.81
 assign ((segid  B and resid  50 and name HG*  ))   ((segid  B and resid  55 and name HB*  ))    1.80  0.00  3.23
 assign ((segid  B and resid  50 and name HN   ))   ((segid  B and resid  50 and name HB*  ))    1.80  0.00  2.04
 assign ((segid  B and resid  50 and name HN   ))   ((segid  B and resid  50 and name HE*  ))    1.80  0.00  2.93
 assign ((segid  B and resid  50 and name HN   ))   ((segid  B and resid  50 and name HG*  ))    1.80  0.00  1.97
 assign ((segid  B and resid  50 and name HN   ))   ((segid  B and resid  55 and name HB*  ))    1.80  0.00  3.96
 assign ((segid  B and resid  51 and name HA   ))   ((segid  B and resid  52 and name HN   ))    1.80  0.00  1.99
 assign ((segid  B and resid  51 and name HA   ))   ((segid  B and resid  53 and name HN   ))    1.80  0.00  3.60
 assign ((segid  B and resid  51 and name HA   ))   ((segid  B and resid  55 and name HB*  ))    1.80  0.00  4.25
 assign ((segid  B and resid  51 and name HB*  ))   ((segid  B and resid  53 and name HN   ))    1.80  0.00  2.93
 assign ((segid  B and resid  51 and name HB1  ))   ((segid  B and resid  52 and name HN   ))    1.80  0.00  2.46
 assign ((segid  B and resid  51 and name HB2  ))   ((segid  B and resid  52 and name HN   ))    1.80  0.00  2.46
 assign ((segid  B and resid  51 and name HN   ))   ((segid  B and resid  51 and name HB*  ))    1.80  0.00  1.98
 assign ((segid  B and resid  51 and name HN   ))   ((segid  B and resid  54 and name HG2* ))    1.80  0.00  3.83
 assign ((segid  B and resid  51 and name HN   ))   ((segid  B and resid  54 and name HN   ))    1.80  0.00  3.46
 assign ((segid  B and resid  51 and name HN   ))   ((segid  B and resid  55 and name HB*  ))    1.80  0.00  3.64
 assign ((segid  B and resid  52 and name HA   ))   ((segid  B and resid  52 and name HD*  ))    1.80  0.00  1.88
 assign ((segid  B and resid  52 and name HA   ))   ((segid  B and resid  52 and name HG   ))    1.80  0.00  2.40
 assign ((segid  B and resid  52 and name HA   ))   ((segid  B and resid  55 and name HB*  ))    1.80  0.00  2.04
 assign ((segid  B and resid  52 and name HA   ))   ((segid  B and resid  55 and name HN   ))    1.80  0.00  2.95
 assign ((segid  B and resid  52 and name HA   ))   ((segid  B and resid  56 and name HN   ))    1.80  0.00  2.72
 assign ((segid  B and resid  52 and name HB*  ))   ((segid  B and resid  52 and name HD1* ))    1.80  0.00  2.39
 assign ((segid  B and resid  52 and name HB*  ))   ((segid  B and resid  52 and name HD2* ))    1.80  0.00  2.39
 assign ((segid  B and resid  52 and name HB*  ))   ((segid  B and resid  53 and name HN   ))    1.80  0.00  1.91
 assign ((segid  B and resid  52 and name HB*  ))   ((segid  B and resid  55 and name HB*  ))    1.80  0.00  3.51
 assign ((segid  B and resid  52 and name HB*  ))   ((segid  B and resid  56 and name HN   ))    1.80  0.00  3.78
 assign ((segid  B and resid  52 and name HD*  ))   ((segid  B and resid  53 and name HN   ))    1.80  0.00  2.90
 assign ((segid  B and resid  52 and name HD*  ))   ((segid  B and resid  55 and name HB*  ))    1.80  0.00  2.53
 assign ((segid  B and resid  52 and name HD*  ))   ((segid  B and resid  56 and name HB*  ))    1.80  0.00  3.99
 assign ((segid  B and resid  52 and name HD*  ))   ((segid  B and resid  56 and name HN   ))    1.80  0.00  3.69
 assign ((segid  B and resid  52 and name HN   ))   ((segid  B and resid  52 and name HB*  ))    1.80  0.00  1.64
 assign ((segid  B and resid  52 and name HN   ))   ((segid  B and resid  52 and name HD*  ))    1.80  0.00  2.41
 assign ((segid  B and resid  52 and name HN   ))   ((segid  B and resid  52 and name HG   ))    1.80  0.00  2.62
 assign ((segid  B and resid  52 and name HN   ))   ((segid  B and resid  53 and name HN   ))    1.80  0.00  2.33
 assign ((segid  B and resid  53 and name HB   ))   ((segid  B and resid  54 and name HN   ))    1.80  0.00  2.17
 assign ((segid  B and resid  53 and name HB   ))   ((segid  B and resid  55 and name HN   ))    1.80  0.00  4.23
 assign ((segid  B and resid  53 and name HG2* ))   ((segid  B and resid  54 and name HN   ))    1.80  0.00  2.13
 assign ((segid  B and resid  53 and name HN   ))   ((segid  B and resid  53 and name HB   ))    1.80  0.00  1.80
 assign ((segid  B and resid  53 and name HN   ))   ((segid  B and resid  53 and name HG2* ))    1.80  0.00  2.51
 assign ((segid  B and resid  53 and name HN   ))   ((segid  B and resid  54 and name HN   ))    1.80  0.00  1.99
 assign ((segid  B and resid  54 and name HB   ))   ((segid  B and resid  55 and name HN   ))    1.80  0.00  2.48
 assign ((segid  B and resid  54 and name HG2* ))   ((segid  B and resid  55 and name HN   ))    1.80  0.00  2.60
 assign ((segid  B and resid  54 and name HG2* ))   ((segid  B and resid  57 and name HN   ))    1.80  0.00  3.26
 assign ((segid  B and resid  54 and name HG2* ))   ((segid  B and resid  58 and name HD21 ))    1.80  0.00  2.10
 assign ((segid  B and resid  54 and name HG2* ))   ((segid  B and resid  58 and name HD22 ))    1.80  0.00  2.10
 assign ((segid  B and resid  54 and name HN   ))   ((segid  B and resid  54 and name HB   ))    1.80  0.00  2.48
 assign ((segid  B and resid  54 and name HN   ))   ((segid  B and resid  54 and name HG2* ))    1.80  0.00  3.34
 assign ((segid  B and resid  54 and name HN   ))   ((segid  B and resid  55 and name HN   ))    1.80  0.00  2.13
 assign ((segid  B and resid  55 and name HA   ))   ((segid  B and resid  58 and name HB*  ))    1.80  0.00  3.17
 assign ((segid  B and resid  55 and name HA   ))   ((segid  B and resid  58 and name HN   ))    1.80  0.00  3.11
 assign ((segid  B and resid  55 and name HB*  ))   ((segid  B and resid  56 and name HA   ))    1.80  0.00  3.15
 assign ((segid  B and resid  55 and name HB*  ))   ((segid  B and resid  56 and name HN   ))    1.80  0.00  1.87
 assign ((segid  B and resid  55 and name HB*  ))   ((segid  B and resid  57 and name HN   ))    1.80  0.00  4.01
 assign ((segid  B and resid  55 and name HB*  ))   ((segid  B and resid  58 and name HB*  ))    1.80  0.00  4.07
 assign ((segid  B and resid  55 and name HB*  ))   ((segid  B and resid  58 and name HN   ))    1.80  0.00  4.25
 assign ((segid  B and resid  55 and name HB*  ))   ((segid  B and resid  59 and name HD1* ))    1.80  0.00  2.57
 assign ((segid  B and resid  55 and name HN   ))   ((segid  B and resid  55 and name HB*  ))    1.80  0.00  1.80
 assign ((segid  B and resid  55 and name HN   ))   ((segid  B and resid  56 and name HN   ))    1.80  0.00  2.30
 assign ((segid  B and resid  55 and name HN   ))   ((segid  B and resid  57 and name HN   ))    1.80  0.00  3.49
 assign ((segid  B and resid  56 and name HA   ))   ((segid  B and resid  57 and name HB*  ))    1.80  0.00  3.79
 assign ((segid  B and resid  56 and name HA   ))   ((segid  B and resid  59 and name HB1  ))    1.80  0.00  3.38
 assign ((segid  B and resid  56 and name HA   ))   ((segid  B and resid  59 and name HB2  ))    1.80  0.00  3.38
 assign ((segid  B and resid  56 and name HA   ))   ((segid  B and resid  59 and name HD1* ))    1.80  0.00  2.12
 assign ((segid  B and resid  56 and name HA   ))   ((segid  B and resid  59 and name HD2* ))    1.80  0.00  3.67
 assign ((segid  B and resid  56 and name HA   ))   ((segid  B and resid  59 and name HN   ))    1.80  0.00  2.75
 assign ((segid  B and resid  56 and name HB*  ))   ((segid  B and resid  57 and name HB*  ))    1.80  0.00  3.90
 assign ((segid  B and resid  56 and name HN   ))   ((segid  B and resid  56 and name HB*  ))    1.80  0.00  1.92
 assign ((segid  B and resid  56 and name HN   ))   ((segid  B and resid  57 and name HB*  ))    1.80  0.00  3.21
 assign ((segid  B and resid  56 and name HN   ))   ((segid  B and resid  57 and name HN   ))    1.80  0.00  2.10
 assign ((segid  B and resid  57 and name HA   ))   ((segid  B and resid  60 and name HB*  ))    1.80  0.00  2.23
 assign ((segid  B and resid  57 and name HB*  ))   ((segid  B and resid  58 and name HN   ))    1.80  0.00  2.13
 assign ((segid  B and resid  57 and name HB*  ))   ((segid  B and resid  60 and name HB*  ))    1.80  0.00  3.42
 assign ((segid  B and resid  57 and name HB*  ))   ((segid  B and resid  60 and name HN   ))    1.80  0.00  3.80
 assign ((segid  B and resid  57 and name HN   ))   ((segid  B and resid  57 and name HB*  ))    1.80  0.00  1.59
 assign ((segid  B and resid  57 and name HN   ))   ((segid  B and resid  58 and name HN   ))    1.80  0.00  2.40
 assign ((segid  B and resid  58 and name HA   ))   ((segid  B and resid  61 and name HB*  ))    1.80  0.00  1.62
 assign ((segid  B and resid  58 and name HA   ))   ((segid  B and resid  61 and name HN   ))    1.80  0.00  2.93
 assign ((segid  B and resid  58 and name HN   ))   ((segid  B and resid  58 and name HB*  ))    1.80  0.00  2.02
 assign ((segid  B and resid  58 and name HN   ))   ((segid  B and resid  59 and name HD1* ))    1.80  0.00  4.25
 assign ((segid  B and resid  58 and name HN   ))   ((segid  B and resid  59 and name HN   ))    1.80  0.00  2.61
 assign ((segid  B and resid  59 and name HA   ))   ((segid  B and resid  59 and name HD1* ))    1.80  0.00  2.73
 assign ((segid  B and resid  59 and name HA   ))   ((segid  B and resid  59 and name HD2* ))    1.80  0.00  1.92
 assign ((segid  B and resid  59 and name HA   ))   ((segid  B and resid  62 and name HB*  ))    1.80  0.00  3.67
 assign ((segid  B and resid  59 and name HA   ))   ((segid  B and resid  62 and name HD1* ))    1.80  0.00  2.47
 assign ((segid  B and resid  59 and name HA   ))   ((segid  B and resid  62 and name HD2* ))    1.80  0.00  4.72
 assign ((segid  B and resid  59 and name HA   ))   ((segid  B and resid  62 and name HN   ))    1.80  0.00  3.70
 assign ((segid  B and resid  59 and name HA   ))   ((segid  B and resid  68 and name HG2* ))    1.80  0.00  4.25
 assign ((segid  B and resid  59 and name HB*  ))   ((segid  B and resid  59 and name HD1* ))    1.80  0.00  1.51
 assign ((segid  B and resid  59 and name HB*  ))   ((segid  B and resid  60 and name HN   ))    1.80  0.00  2.27
 assign ((segid  B and resid  59 and name HB*  ))   ((segid  B and resid  79 and name HE*  ))    1.80  0.00  2.52
 assign ((segid  B and resid  59 and name HD1* ))   ((segid  B and resid  60 and name HN   ))    1.80  0.00  3.70
 assign ((segid  B and resid  59 and name HD1* ))   ((segid  B and resid  79 and name HD*  ))    1.80  0.00  3.03
 assign ((segid  B and resid  59 and name HD1* ))   ((segid  B and resid  79 and name HE*  ))    1.80  0.00  2.84
 assign ((segid  B and resid  59 and name HD2* ))   ((segid  B and resid  60 and name HN   ))    1.80  0.00  3.88
 assign ((segid  B and resid  59 and name HD2* ))   ((segid  B and resid  68 and name HG2* ))    1.80  0.00  2.40
 assign ((segid  B and resid  59 and name HD2* ))   ((segid  B and resid  79 and name HB*  ))    1.80  0.00  2.61
 assign ((segid  B and resid  59 and name HD2* ))   ((segid  B and resid  79 and name HD*  ))    1.80  0.00  2.62
 assign ((segid  B and resid  59 and name HD2* ))   ((segid  B and resid  79 and name HE*  ))    1.80  0.00  3.26
 assign ((segid  B and resid  59 and name HN   ))   ((segid  B and resid  59 and name HD1* ))    1.80  0.00  2.43
 assign ((segid  B and resid  59 and name HN   ))   ((segid  B and resid  59 and name HD2* ))    1.80  0.00  2.67
 assign ((segid  B and resid  59 and name HN   ))   ((segid  B and resid  59 and name HG   ))    1.80  0.00  2.63
 assign ((segid  B and resid  59 and name HN   ))   ((segid  B and resid  60 and name HB*  ))    1.80  0.00  3.37
 assign ((segid  B and resid  59 and name HN   ))   ((segid  B and resid  60 and name HN   ))    1.80  0.00  2.39
 assign ((segid  B and resid  60 and name HA   ))   ((segid  B and resid  60 and name HE2* ))    1.80  0.00  3.17
 assign ((segid  B and resid  60 and name HA   ))   ((segid  B and resid  60 and name HG*  ))    1.80  0.00  1.69
 assign ((segid  B and resid  60 and name HA   ))   ((segid  B and resid  63 and name HB*  ))    1.80  0.00  2.81
 assign ((segid  B and resid  60 and name HA   ))   ((segid  B and resid  63 and name HG*  ))    1.80  0.00  2.93
 assign ((segid  B and resid  60 and name HA   ))   ((segid  B and resid  63 and name HN   ))    1.80  0.00  3.02
 assign ((segid  B and resid  60 and name HB*  ))   ((segid  B and resid  61 and name HA   ))    1.80  0.00  3.12
 assign ((segid  B and resid  60 and name HB*  ))   ((segid  B and resid  61 and name HB*  ))    1.80  0.00  3.64
 assign ((segid  B and resid  60 and name HB*  ))   ((segid  B and resid  61 and name HN   ))    1.80  0.00  2.16
 assign ((segid  B and resid  60 and name HG*  ))   ((segid  B and resid  61 and name HA   ))    1.80  0.00  4.00
 assign ((segid  B and resid  60 and name HG*  ))   ((segid  B and resid  61 and name HN   ))    1.80  0.00  3.44
 assign ((segid  B and resid  60 and name HN   ))   ((segid  B and resid  60 and name HB*  ))    1.80  0.00  1.72
 assign ((segid  B and resid  60 and name HN   ))   ((segid  B and resid  60 and name HG*  ))    1.80  0.00  2.74
 assign ((segid  B and resid  60 and name HN   ))   ((segid  B and resid  61 and name HB*  ))    1.80  0.00  4.05
 assign ((segid  B and resid  60 and name HN   ))   ((segid  B and resid  61 and name HN   ))    1.80  0.00  2.33
 assign ((segid  B and resid  61 and name HB*  ))   ((segid  B and resid  62 and name HN   ))    1.80  0.00  2.49
 assign ((segid  B and resid  61 and name HB*  ))   ((segid  B and resid  64 and name HB*  ))    1.80  0.00  4.25
 assign ((segid  B and resid  61 and name HN   ))   ((segid  B and resid  61 and name HB*  ))    1.80  0.00  1.45
 assign ((segid  B and resid  61 and name HN   ))   ((segid  B and resid  62 and name HN   ))    1.80  0.00  2.35
 assign ((segid  B and resid  62 and name HA   ))   ((segid  B and resid  62 and name HD1* ))    1.80  0.00  2.77
 assign ((segid  B and resid  62 and name HA   ))   ((segid  B and resid  67 and name HD2* ))    1.80  0.00  3.33
 assign ((segid  B and resid  62 and name HA   ))   ((segid  B and resid  68 and name HG1* ))    1.80  0.00  4.25
 assign ((segid  B and resid  62 and name HB*  ))   ((segid  B and resid  62 and name HD2* ))    1.80  0.00  2.79
 assign ((segid  B and resid  62 and name HB*  ))   ((segid  B and resid  63 and name HN   ))    1.80  0.00  2.64
 assign ((segid  B and resid  62 and name HB*  ))   ((segid  B and resid  67 and name HD2* ))    1.80  0.00  3.56
 assign ((segid  B and resid  62 and name HB*  ))   ((segid  B and resid  68 and name HG1* ))    1.80  0.00  2.50
 assign ((segid  B and resid  62 and name HB1  ))   ((segid  B and resid  62 and name HD1* ))    1.80  0.00  2.68
 assign ((segid  B and resid  62 and name HB1  ))   ((segid  B and resid  68 and name HG2* ))    1.80  0.00  3.52
 assign ((segid  B and resid  62 and name HB2  ))   ((segid  B and resid  62 and name HD1* ))    1.80  0.00  2.68
 assign ((segid  B and resid  62 and name HB2  ))   ((segid  B and resid  68 and name HG2* ))    1.80  0.00  3.52
 assign ((segid  B and resid  62 and name HD1* ))   ((segid  B and resid  63 and name HN   ))    1.80  0.00  3.28
 assign ((segid  B and resid  62 and name HN   ))   ((segid  B and resid  62 and name HD1* ))    1.80  0.00  2.66
 assign ((segid  B and resid  62 and name HN   ))   ((segid  B and resid  62 and name HD2* ))    1.80  0.00  3.05
 assign ((segid  B and resid  62 and name HN   ))   ((segid  B and resid  62 and name HG   ))    1.80  0.00  2.49
 assign ((segid  B and resid  62 and name HN   ))   ((segid  B and resid  63 and name HN   ))    1.80  0.00  2.72
 assign ((segid  B and resid  63 and name HA   ))   ((segid  B and resid  63 and name HG*  ))    1.80  0.00  2.14
 assign ((segid  B and resid  63 and name HA   ))   ((segid  B and resid  67 and name HN   ))    1.80  0.00  3.44
 assign ((segid  B and resid  63 and name HA   ))   ((segid  B and resid  68 and name HG2* ))    1.80  0.00  2.14
 assign ((segid  B and resid  63 and name HA   ))   ((segid  B and resid  68 and name HN   ))    1.80  0.00  2.48
 assign ((segid  B and resid  63 and name HB*  ))   ((segid  B and resid  63 and name HE*  ))    1.80  0.00  2.13
 assign ((segid  B and resid  63 and name HB*  ))   ((segid  B and resid  64 and name HN   ))    1.80  0.00  2.27
 assign ((segid  B and resid  63 and name HB*  ))   ((segid  B and resid  68 and name HG2* ))    1.80  0.00  2.10
 assign ((segid  B and resid  63 and name HB*  ))   ((segid  B and resid  68 and name HN   ))    1.80  0.00  3.48
 assign ((segid  B and resid  63 and name HB*  ))   ((segid  B and resid  79 and name HE*  ))    1.80  0.00  2.31
 assign ((segid  B and resid  63 and name HB*  ))   ((segid  B and resid  69 and name HA   ))    1.80  0.00  3.37
 assign ((segid  B and resid  63 and name HD*  ))   ((segid  B and resid  70 and name HB*  ))    1.80  0.00  3.12
 assign ((segid  B and resid  63 and name HD*  ))   ((segid  B and resid  70 and name HN   ))    1.80  0.00  3.92
 assign ((segid  B and resid  63 and name HD*  ))   ((segid  B and resid  79 and name HE*  ))    1.80  0.00  2.64
 assign ((segid  B and resid  63 and name HE*  ))   ((segid  B and resid  69 and name HA   ))    1.80  0.00  2.96
 assign ((segid  B and resid  63 and name HE*  ))   ((segid  B and resid  70 and name HB*  ))    1.80  0.00  1.61
 assign ((segid  B and resid  63 and name HE*  ))   ((segid  B and resid  70 and name HN   ))    1.80  0.00  2.38
 assign ((segid  B and resid  63 and name HE*  ))   ((segid  B and resid  79 and name HE*  ))    1.80  0.00  2.42
 assign ((segid  B and resid  63 and name HG*  ))   ((segid  B and resid  64 and name HA   ))    1.80  0.00  3.30
 assign ((segid  B and resid  63 and name HG*  ))   ((segid  B and resid  64 and name HN   ))    1.80  0.00  2.66
 assign ((segid  B and resid  63 and name HG*  ))   ((segid  B and resid  68 and name HG2* ))    1.80  0.00  2.79
 assign ((segid  B and resid  63 and name HG*  ))   ((segid  B and resid  68 and name HN   ))    1.80  0.00  4.25
 assign ((segid  B and resid  63 and name HG*  ))   ((segid  B and resid  70 and name HB*  ))    1.80  0.00  3.71
 assign ((segid  B and resid  63 and name HG*  ))   ((segid  B and resid  79 and name HE*  ))    1.80  0.00  3.39
 assign ((segid  B and resid  63 and name HN   ))   ((segid  B and resid  63 and name HD*  ))    1.80  0.00  3.60
 assign ((segid  B and resid  63 and name HN   ))   ((segid  B and resid  63 and name HG*  ))    1.80  0.00  2.63
 assign ((segid  B and resid  63 and name HN   ))   ((segid  B and resid  68 and name HG2* ))    1.80  0.00  2.69
 assign ((segid  B and resid  64 and name HA   ))   ((segid  B and resid  66 and name HN   ))    1.80  0.00  3.11
 assign ((segid  B and resid  64 and name HB*  ))   ((segid  B and resid  65 and name HA*  ))    1.80  0.00  3.51
 assign ((segid  B and resid  64 and name HB*  ))   ((segid  B and resid  65 and name HN   ))    1.80  0.00  2.48
 assign ((segid  B and resid  64 and name HN   ))   ((segid  B and resid  64 and name HB*  ))    1.80  0.00  1.61
 assign ((segid  B and resid  64 and name HN   ))   ((segid  B and resid  65 and name HN   ))    1.80  0.00  2.38
 assign ((segid  B and resid  65 and name HA*  ))   ((segid  B and resid  67 and name HB*  ))    1.80  0.00  3.69
 assign ((segid  B and resid  65 and name HN   ))   ((segid  B and resid  66 and name HN   ))    1.80  0.00  2.42
 assign ((segid  B and resid  65 and name HN   ))   ((segid  B and resid  67 and name HN   ))    1.80  0.00  3.14
 assign ((segid  B and resid  66 and name HA*  ))   ((segid  B and resid  67 and name HD2* ))    1.80  0.00  3.70
 assign ((segid  B and resid  66 and name HN   ))   ((segid  B and resid  67 and name HB*  ))    1.80  0.00  3.23
 assign ((segid  B and resid  66 and name HN   ))   ((segid  B and resid  67 and name HN   ))    1.80  0.00  2.56
 assign ((segid  B and resid  67 and name HA   ))   ((segid  B and resid  67 and name HD1* ))    1.80  0.00  2.12
 assign ((segid  B and resid  67 and name HA   ))   ((segid  B and resid  67 and name HD2* ))    1.80  0.00  2.85
 assign ((segid  B and resid  67 and name HA   ))   ((segid  B and resid  82 and name HB*  ))    1.80  0.00  2.70
 assign ((segid  B and resid  67 and name HA   ))   ((segid  B and resid  86 and name HG1* ))    1.80  0.00  3.40
 assign ((segid  B and resid  67 and name HA   ))   ((segid  B and resid  86 and name HG2* ))    1.80  0.00  1.96
 assign ((segid  B and resid  67 and name HB*  ))   ((segid  B and resid  67 and name HD1* ))    1.80  0.00  1.87
 assign ((segid  B and resid  67 and name HB*  ))   ((segid  B and resid  67 and name HD2* ))    1.80  0.00  1.87
 assign ((segid  B and resid  67 and name HB*  ))   ((segid  B and resid  68 and name HA   ))    1.80  0.00  3.70
 assign ((segid  B and resid  67 and name HB*  ))   ((segid  B and resid  68 and name HG1* ))    1.80  0.00  2.46
 assign ((segid  B and resid  67 and name HB*  ))   ((segid  B and resid  68 and name HG2* ))    1.80  0.00  2.95
 assign ((segid  B and resid  67 and name HB*  ))   ((segid  B and resid  68 and name HN   ))    1.80  0.00  2.49
 assign ((segid  B and resid  67 and name HD1* ))   ((segid  B and resid  86 and name HA   ))    1.80  0.00  3.09
 assign ((segid  B and resid  67 and name HD1* ))   ((segid  B and resid  86 and name HG1* ))    1.80  0.00  2.20
 assign ((segid  B and resid  67 and name HD2* ))   ((segid  B and resid  68 and name HN   ))    1.80  0.00  4.25
 assign ((segid  B and resid  67 and name HN   ))   ((segid  B and resid  67 and name HD1* ))    1.80  0.00  2.81
 assign ((segid  B and resid  67 and name HN   ))   ((segid  B and resid  67 and name HD2* ))    1.80  0.00  2.57
 assign ((segid  B and resid  67 and name HN   ))   ((segid  B and resid  68 and name HG2* ))    1.80  0.00  3.30
 assign ((segid  B and resid  67 and name HN   ))   ((segid  B and resid  68 and name HN   ))    1.80  0.00  2.18
 assign ((segid  B and resid  68 and name HA   ))   ((segid  B and resid  68 and name HG1* ))    1.80  0.00  2.28
 assign ((segid  B and resid  68 and name HA   ))   ((segid  B and resid  69 and name HB*  ))    1.80  0.00  4.20
 assign ((segid  B and resid  68 and name HA   ))   ((segid  B and resid  80 and name HN   ))    1.80  0.00  3.69
 assign ((segid  B and resid  68 and name HA   ))   ((segid  B and resid  81 and name HA   ))    1.80  0.00  2.78
 assign ((segid  B and resid  68 and name HA   ))   ((segid  B and resid  81 and name HG2* ))    1.80  0.00  3.13
 assign ((segid  B and resid  68 and name HA   ))   ((segid  B and resid  82 and name HB*  ))    1.80  0.00  2.47
 assign ((segid  B and resid  68 and name HA   ))   ((segid  B and resid  82 and name HN   ))    1.80  0.00  2.88
 assign ((segid  B and resid  68 and name HB   ))   ((segid  B and resid  69 and name HN   ))    1.80  0.00  2.41
 assign ((segid  B and resid  68 and name HB   ))   ((segid  B and resid  80 and name HN   ))    1.80  0.00  3.35
 assign ((segid  B and resid  68 and name HB   ))   ((segid  B and resid  81 and name HA   ))    1.80  0.00  3.71
 assign ((segid  B and resid  68 and name HG1* ))   ((segid  B and resid  69 and name HB*  ))    1.80  0.00  4.25
 assign ((segid  B and resid  68 and name HG1* ))   ((segid  B and resid  69 and name HN   ))    1.80  0.00  2.56
 assign ((segid  B and resid  68 and name HG1* ))   ((segid  B and resid  80 and name HN   ))    1.80  0.00  3.95
 assign ((segid  B and resid  68 and name HG1* ))   ((segid  B and resid  81 and name HA   ))    1.80  0.00  2.43
 assign ((segid  B and resid  68 and name HG1* ))   ((segid  B and resid  82 and name HN   ))    1.80  0.00  3.01
 assign ((segid  B and resid  68 and name HG1* ))   ((segid  B and resid  86 and name HG1* ))    1.80  0.00  2.77
 assign ((segid  B and resid  68 and name HG2* ))   ((segid  B and resid  69 and name HA   ))    1.80  0.00  3.26
 assign ((segid  B and resid  68 and name HG2* ))   ((segid  B and resid  69 and name HB*  ))    1.80  0.00  4.25
 assign ((segid  B and resid  68 and name HG2* ))   ((segid  B and resid  69 and name HN   ))    1.80  0.00  3.08
 assign ((segid  B and resid  68 and name HG2* ))   ((segid  B and resid  79 and name HD*  ))    1.80  0.00  2.25
 assign ((segid  B and resid  68 and name HG2* ))   ((segid  B and resid  79 and name HE*  ))    1.80  0.00  2.80
 assign ((segid  B and resid  68 and name HG2* ))   ((segid  B and resid  80 and name HN   ))    1.80  0.00  4.25
 assign ((segid  B and resid  68 and name HN   ))   ((segid  B and resid  68 and name HG1* ))    1.80  0.00  3.04
 assign ((segid  B and resid  68 and name HN   ))   ((segid  B and resid  68 and name HG2* ))    1.80  0.00  2.03
 assign ((segid  B and resid  68 and name HN   ))   ((segid  B and resid  82 and name HB*  ))    1.80  0.00  2.83
 assign ((segid  B and resid  68 and name HN   ))   ((segid  B and resid  86 and name HG1* ))    1.80  0.00  3.70
 assign ((segid  B and resid  69 and name HA   ))   ((segid  B and resid  69 and name HG1  ))    1.80  0.00  2.58
 assign ((segid  B and resid  69 and name HA   ))   ((segid  B and resid  69 and name HG2  ))    1.80  0.00  2.58
 assign ((segid  B and resid  69 and name HA   ))   ((segid  B and resid  70 and name HB*  ))    1.80  0.00  3.08
 assign ((segid  B and resid  69 and name HA   ))   ((segid  B and resid  70 and name HN   ))    1.80  0.00  1.57
 assign ((segid  B and resid  69 and name HB1  ))   ((segid  B and resid  70 and name HB*  ))    1.80  0.00  4.25
 assign ((segid  B and resid  69 and name HB1  ))   ((segid  B and resid  70 and name HN   ))    1.80  0.00  2.77
 assign ((segid  B and resid  69 and name HB1  ))   ((segid  B and resid  82 and name HB*  ))    1.80  0.00  4.02
 assign ((segid  B and resid  69 and name HB2  ))   ((segid  B and resid  70 and name HB*  ))    1.80  0.00  4.25
 assign ((segid  B and resid  69 and name HB2  ))   ((segid  B and resid  70 and name HN   ))    1.80  0.00  2.77
 assign ((segid  B and resid  69 and name HB2  ))   ((segid  B and resid  82 and name HB*  ))    1.80  0.00  4.02
 assign ((segid  B and resid  69 and name HG*  ))   ((segid  B and resid  70 and name HN   ))    1.80  0.00  3.05
 assign ((segid  B and resid  69 and name HG1  ))   ((segid  B and resid  82 and name HA   ))    1.80  0.00  2.71
 assign ((segid  B and resid  69 and name HG1  ))   ((segid  B and resid  82 and name HB*  ))    1.80  0.00  1.94
 assign ((segid  B and resid  69 and name HG2  ))   ((segid  B and resid  82 and name HA   ))    1.80  0.00  2.71
 assign ((segid  B and resid  69 and name HG2  ))   ((segid  B and resid  82 and name HB*  ))    1.80  0.00  1.94
 assign ((segid  B and resid  69 and name HN   ))   ((segid  B and resid  69 and name HG*  ))    1.80  0.00  2.96
 assign ((segid  B and resid  69 and name HN   ))   ((segid  B and resid  80 and name HN   ))    1.80  0.00  2.70
 assign ((segid  B and resid  69 and name HN   ))   ((segid  B and resid  81 and name HA   ))    1.80  0.00  3.23
 assign ((segid  B and resid  69 and name HN   ))   ((segid  B and resid  82 and name HB*  ))    1.80  0.00  3.14
 assign ((segid  B and resid  69 and name HN   ))   ((segid  B and resid  82 and name HN   ))    1.80  0.00  3.67
 assign ((segid  B and resid  70 and name HA   ))   ((segid  B and resid  71 and name HN   ))    1.80  0.00  1.92
 assign ((segid  B and resid  70 and name HA   ))   ((segid  B and resid  79 and name HA   ))    1.80  0.00  1.68
 assign ((segid  B and resid  70 and name HA   ))   ((segid  B and resid  80 and name HN   ))    1.80  0.00  3.23
 assign ((segid  B and resid  70 and name HB*  ))   ((segid  B and resid  71 and name HA   ))    1.80  0.00  3.46
 assign ((segid  B and resid  70 and name HB*  ))   ((segid  B and resid  71 and name HN   ))    1.80  0.00  2.19
 assign ((segid  B and resid  70 and name HB*  ))   ((segid  B and resid  77 and name HB*  ))    1.80  0.00  3.47
 assign ((segid  B and resid  70 and name HB*  ))   ((segid  B and resid  77 and name HE21 ))    1.80  0.00  2.95
 assign ((segid  B and resid  70 and name HB*  ))   ((segid  B and resid  77 and name HE22 ))    1.80  0.00  2.95
 assign ((segid  B and resid  70 and name HB*  ))   ((segid  B and resid  77 and name HG*  ))    1.80  0.00  4.07
 assign ((segid  B and resid  70 and name HB*  ))   ((segid  B and resid  79 and name HA   ))    1.80  0.00  2.68
 assign ((segid  B and resid  70 and name HB*  ))   ((segid  B and resid  79 and name HD*  ))    1.80  0.00  3.01
 assign ((segid  B and resid  70 and name HB*  ))   ((segid  B and resid  79 and name HE*  ))    1.80  0.00  1.92
 assign ((segid  B and resid  70 and name HN   ))   ((segid  B and resid  70 and name HB*  ))    1.80  0.00  1.58
 assign ((segid  B and resid  71 and name HA   ))   ((segid  B and resid  72 and name HB*  ))    1.80  0.00  3.30
 assign ((segid  B and resid  71 and name HA   ))   ((segid  B and resid  72 and name HN   ))    1.80  0.00  1.61
 assign ((segid  B and resid  71 and name HB*  ))   ((segid  B and resid  71 and name HE   ))    1.80  0.00  3.19
 assign ((segid  B and resid  71 and name HB*  ))   ((segid  B and resid  72 and name HN   ))    1.80  0.00  2.60
 assign ((segid  B and resid  71 and name HB*  ))   ((segid  B and resid  79 and name HA   ))    1.80  0.00  4.07
 assign ((segid  B and resid  71 and name HD*  ))   ((segid  B and resid  71 and name HH2* ))    1.80  0.00  3.05
 assign ((segid  B and resid  71 and name HG*  ))   ((segid  B and resid  72 and name HN   ))    1.80  0.00  3.52
 assign ((segid  B and resid  71 and name HG*  ))   ((segid  B and resid  78 and name HB*  ))    1.80  0.00  3.21
 assign ((segid  B and resid  71 and name HN   ))   ((segid  B and resid  71 and name HG*  ))    1.80  0.00  2.89
 assign ((segid  B and resid  71 and name HN   ))   ((segid  B and resid  78 and name HN   ))    1.80  0.00  2.67
 assign ((segid  B and resid  71 and name HN   ))   ((segid  B and resid  79 and name HA   ))    1.80  0.00  3.33
 assign ((segid  B and resid  72 and name HA   ))   ((segid  B and resid  72 and name HD*  ))    1.80  0.00  2.69
 assign ((segid  B and resid  72 and name HA   ))   ((segid  B and resid  72 and name HG1  ))    1.80  0.00  2.63
 assign ((segid  B and resid  72 and name HA   ))   ((segid  B and resid  72 and name HG2  ))    1.80  0.00  2.63
 assign ((segid  B and resid  72 and name HA   ))   ((segid  B and resid  73 and name HN   ))    1.80  0.00  1.67
 assign ((segid  B and resid  72 and name HA   ))   ((segid  B and resid  77 and name HA   ))    1.80  0.00  2.91
 assign ((segid  B and resid  72 and name HA   ))   ((segid  B and resid  77 and name HG*  ))    1.80  0.00  3.09
 assign ((segid  B and resid  72 and name HA   ))   ((segid  B and resid  78 and name HN   ))    1.80  0.00  2.94
 assign ((segid  B and resid  72 and name HB*  ))   ((segid  B and resid  73 and name HN   ))    1.80  0.00  2.74
 assign ((segid  B and resid  72 and name HB1  ))   ((segid  B and resid  72 and name HD*  ))    1.80  0.00  2.22
 assign ((segid  B and resid  72 and name HB2  ))   ((segid  B and resid  72 and name HD*  ))    1.80  0.00  2.22
 assign ((segid  B and resid  72 and name HD*  ))   ((segid  B and resid  73 and name HN   ))    1.80  0.00  4.25
 assign ((segid  B and resid  72 and name HD*  ))   ((segid  B and resid  77 and name HG*  ))    1.80  0.00  2.54
 assign ((segid  B and resid  72 and name HG*  ))   ((segid  B and resid  73 and name HN   ))    1.80  0.00  3.61
 assign ((segid  B and resid  72 and name HN   ))   ((segid  B and resid  72 and name HB*  ))    1.80  0.00  1.49
 assign ((segid  B and resid  72 and name HN   ))   ((segid  B and resid  72 and name HD*  ))    1.80  0.00  4.03
 assign ((segid  B and resid  72 and name HN   ))   ((segid  B and resid  72 and name HG*  ))    1.80  0.00  3.29
 assign ((segid  B and resid  73 and name HA   ))   ((segid  B and resid  73 and name HG*  ))    1.80  0.00  1.95
 assign ((segid  B and resid  73 and name HB*  ))   ((segid  B and resid  76 and name HG*  ))    1.80  0.00  4.06
 assign ((segid  B and resid  73 and name HB*  ))   ((segid  B and resid  78 and name HD*  ))    1.80  0.00  1.98
 assign ((segid  B and resid  73 and name HB*  ))   ((segid  B and resid  78 and name HE*  ))    1.80  0.00  2.23
 assign ((segid  B and resid  73 and name HG*  ))   ((segid  B and resid  78 and name HD*  ))    1.80  0.00  3.14
 assign ((segid  B and resid  73 and name HG*  ))   ((segid  B and resid  78 and name HE*  ))    1.80  0.00  3.25
 assign ((segid  B and resid  73 and name HN   ))   ((segid  B and resid  73 and name HG*  ))    1.80  0.00  2.78
 assign ((segid  B and resid  73 and name HN   ))   ((segid  B and resid  76 and name HG*  ))    1.80  0.00  4.75
 assign ((segid  B and resid  73 and name HN   ))   ((segid  B and resid  77 and name HA   ))    1.80  0.00  2.69
 assign ((segid  B and resid  73 and name HN   ))   ((segid  B and resid  78 and name HD*  ))    1.80  0.00  3.71
 assign ((segid  B and resid  74 and name HA*  ))   ((segid  B and resid  75 and name HB   ))    1.80  0.00  3.46
 assign ((segid  B and resid  74 and name HA*  ))   ((segid  B and resid  76 and name HN   ))    1.80  0.00  2.99
 assign ((segid  B and resid  75 and name HA   ))   ((segid  B and resid  75 and name HG2* ))    1.80  0.00  1.73
 assign ((segid  B and resid  75 and name HG2* ))   ((segid  B and resid  76 and name HN   ))    1.80  0.00  2.88
 assign ((segid  B and resid  75 and name HN   ))   ((segid  B and resid  75 and name HG2* ))    1.80  0.00  3.53
 assign ((segid  B and resid  75 and name HN   ))   ((segid  B and resid  76 and name HG*  ))    1.80  0.00  4.13
 assign ((segid  B and resid  75 and name HN   ))   ((segid  B and resid  76 and name HN   ))    1.80  0.00  2.27
 assign ((segid  B and resid  76 and name HA   ))   ((segid  B and resid  76 and name HD*  ))    1.80  0.00  3.14
 assign ((segid  B and resid  76 and name HA   ))   ((segid  B and resid  76 and name HG1  ))    1.80  0.00  2.58
 assign ((segid  B and resid  76 and name HA   ))   ((segid  B and resid  76 and name HG2  ))    1.80  0.00  2.58
 assign ((segid  B and resid  76 and name HA   ))   ((segid  B and resid  77 and name HN   ))    1.80  0.00  1.46
 assign ((segid  B and resid  76 and name HB*  ))   ((segid  B and resid  78 and name HD*  ))    1.80  0.00  4.25
 assign ((segid  B and resid  76 and name HB*  ))   ((segid  B and resid  78 and name HE*  ))    1.80  0.00  4.25
 assign ((segid  B and resid  76 and name HB1  ))   ((segid  B and resid  76 and name HD*  ))    1.80  0.00  2.50
 assign ((segid  B and resid  76 and name HB1  ))   ((segid  B and resid  77 and name HN   ))    1.80  0.00  3.16
 assign ((segid  B and resid  76 and name HB2  ))   ((segid  B and resid  76 and name HD*  ))    1.80  0.00  2.50
 assign ((segid  B and resid  76 and name HB2  ))   ((segid  B and resid  77 and name HN   ))    1.80  0.00  3.16
 assign ((segid  B and resid  76 and name HD*  ))   ((segid  B and resid  77 and name HN   ))    1.80  0.00  3.00
 assign ((segid  B and resid  76 and name HD*  ))   ((segid  B and resid  78 and name HE*  ))    1.80  0.00  2.29
 assign ((segid  B and resid  76 and name HG*  ))   ((segid  B and resid  77 and name HN   ))    1.80  0.00  2.63
 assign ((segid  B and resid  76 and name HG*  ))   ((segid  B and resid  78 and name HE*  ))    1.80  0.00  3.47
 assign ((segid  B and resid  76 and name HN   ))   ((segid  B and resid  76 and name HD*  ))    1.80  0.00  2.94
 assign ((segid  B and resid  76 and name HN   ))   ((segid  B and resid  76 and name HG1  ))    1.80  0.00  2.45
 assign ((segid  B and resid  76 and name HN   ))   ((segid  B and resid  76 and name HG2  ))    1.80  0.00  2.45
 assign ((segid  B and resid  76 and name HN   ))   ((segid  B and resid  77 and name HN   ))    1.80  0.00  3.17
 assign ((segid  B and resid  77 and name HA   ))   ((segid  B and resid  77 and name HG1  ))    1.80  0.00  2.43
 assign ((segid  B and resid  77 and name HA   ))   ((segid  B and resid  77 and name HG2  ))    1.80  0.00  2.43
 assign ((segid  B and resid  77 and name HA   ))   ((segid  B and resid  78 and name HN   ))    1.80  0.00  1.99
 assign ((segid  B and resid  77 and name HB*  ))   ((segid  B and resid  77 and name HE2* ))    1.80  0.00  3.17
 assign ((segid  B and resid  77 and name HB*  ))   ((segid  B and resid  78 and name HN   ))    1.80  0.00  2.68
 assign ((segid  B and resid  77 and name HB*  ))   ((segid  B and resid  79 and name HE*  ))    1.80  0.00  2.88
 assign ((segid  B and resid  77 and name HG*  ))   ((segid  B and resid  77 and name HE2* ))    1.80  0.00  1.63
 assign ((segid  B and resid  77 and name HG*  ))   ((segid  B and resid  78 and name HN   ))    1.80  0.00  3.57
 assign ((segid  B and resid  77 and name HG*  ))   ((segid  B and resid  79 and name HE*  ))    1.80  0.00  3.11
 assign ((segid  B and resid  77 and name HN   ))   ((segid  B and resid  77 and name HB*  ))    1.80  0.00  1.79
 assign ((segid  B and resid  77 and name HN   ))   ((segid  B and resid  77 and name HG*  ))    1.80  0.00  2.29
 assign ((segid  B and resid  78 and name HB*  ))   ((segid  B and resid  79 and name HN   ))    1.80  0.00  2.77
 assign ((segid  B and resid  78 and name HN   ))   ((segid  B and resid  78 and name HD*  ))    1.80  0.00  2.77
 assign ((segid  B and resid  79 and name HA   ))   ((segid  B and resid  79 and name HD*  ))    1.80  0.00  3.46
 assign ((segid  B and resid  79 and name HA   ))   ((segid  B and resid  80 and name HG*  ))    1.80  0.00  4.07
 assign ((segid  B and resid  79 and name HN   ))   ((segid  B and resid  79 and name HD*  ))    1.80  0.00  2.93
 assign ((segid  B and resid  80 and name HA   ))   ((segid  B and resid  81 and name HG1* ))    1.80  0.00  4.05
 assign ((segid  B and resid  80 and name HB*  ))   ((segid  B and resid  80 and name HE   ))    1.80  0.00  2.74
 assign ((segid  B and resid  80 and name HB*  ))   ((segid  B and resid  81 and name HN   ))    1.80  0.00  2.74
 assign ((segid  B and resid  80 and name HN   ))   ((segid  B and resid  80 and name HD*  ))    1.80  0.00  3.58
 assign ((segid  B and resid  80 and name HN   ))   ((segid  B and resid  80 and name HG*  ))    1.80  0.00  2.47
 assign ((segid  B and resid  81 and name HA   ))   ((segid  B and resid  81 and name HG2* ))    1.80  0.00  1.69
 assign ((segid  B and resid  81 and name HA   ))   ((segid  B and resid  82 and name HB*  ))    1.80  0.00  2.68
 assign ((segid  B and resid  81 and name HA   ))   ((segid  B and resid  86 and name HB   ))    1.80  0.00  4.25
 assign ((segid  B and resid  81 and name HB   ))   ((segid  B and resid  82 and name HN   ))    1.80  0.00  3.59
 assign ((segid  B and resid  81 and name HD1* ))   ((segid  B and resid  82 and name HN   ))    1.80  0.00  3.22
 assign ((segid  B and resid  81 and name HD1* ))   ((segid  B and resid  86 and name HB   ))    1.80  0.00  3.01
 assign ((segid  B and resid  81 and name HD1* ))   ((segid  B and resid  87 and name HA   ))    1.80  0.00  2.27
 assign ((segid  B and resid  81 and name HD1* ))   ((segid  B and resid  87 and name HB*  ))    1.80  0.00  3.11
 assign ((segid  B and resid  81 and name HD1* ))   ((segid  B and resid  87 and name HN   ))    1.80  0.00  3.30
 assign ((segid  B and resid  81 and name HD1* ))   ((segid  B and resid  90 and name HD*  ))    1.80  0.00  3.51
 assign ((segid  B and resid  81 and name HG1* ))   ((segid  B and resid  82 and name HN   ))    1.80  0.00  3.45
 assign ((segid  B and resid  81 and name HG1* ))   ((segid  B and resid  87 and name HA   ))    1.80  0.00  2.81
 assign ((segid  B and resid  81 and name HG1* ))   ((segid  B and resid  87 and name HB*  ))    1.80  0.00  3.34
 assign ((segid  B and resid  81 and name HG2* ))   ((segid  B and resid  81 and name HG1* ))    1.80  0.00  1.52
 assign ((segid  B and resid  81 and name HG2* ))   ((segid  B and resid  82 and name HN   ))    1.80  0.00  2.09
 assign ((segid  B and resid  81 and name HG2* ))   ((segid  B and resid  83 and name HA*  ))    1.80  0.00  2.81
 assign ((segid  B and resid  81 and name HG2* ))   ((segid  B and resid  83 and name HN   ))    1.80  0.00  1.74
 assign ((segid  B and resid  81 and name HG2* ))   ((segid  B and resid  86 and name HA   ))    1.80  0.00  3.21
 assign ((segid  B and resid  81 and name HG2* ))   ((segid  B and resid  86 and name HB   ))    1.80  0.00  1.79
 assign ((segid  B and resid  81 and name HG2* ))   ((segid  B and resid  86 and name HG1* ))    1.80  0.00  1.36
 assign ((segid  B and resid  81 and name HG2* ))   ((segid  B and resid  87 and name HA   ))    1.80  0.00  2.15
 assign ((segid  B and resid  81 and name HG2* ))   ((segid  B and resid  87 and name HB*  ))    1.80  0.00  1.81
 assign ((segid  B and resid  81 and name HG2* ))   ((segid  B and resid  87 and name HN   ))    1.80  0.00  2.12
 assign ((segid  B and resid  81 and name HG2* ))   ((segid  B and resid  88 and name HN   ))    1.80  0.00  3.58
 assign ((segid  B and resid  81 and name HN   ))   ((segid  B and resid  81 and name HB   ))    1.80  0.00  2.16
 assign ((segid  B and resid  81 and name HN   ))   ((segid  B and resid  81 and name HD1* ))    1.80  0.00  3.11
 assign ((segid  B and resid  81 and name HN   ))   ((segid  B and resid  81 and name HG11 ))    1.80  0.00  2.85
 assign ((segid  B and resid  81 and name HN   ))   ((segid  B and resid  81 and name HG12 ))    1.80  0.00  2.85
 assign ((segid  B and resid  81 and name HN   ))   ((segid  B and resid  81 and name HG2* ))    1.80  0.00  2.42
 assign ((segid  B and resid  82 and name HB*  ))   ((segid  B and resid  83 and name HN   ))    1.80  0.00  1.82
 assign ((segid  B and resid  82 and name HB*  ))   ((segid  B and resid  86 and name HB   ))    1.80  0.00  2.62
 assign ((segid  B and resid  82 and name HN   ))   ((segid  B and resid  83 and name HN   ))    1.80  0.00  3.25
 assign ((segid  B and resid  82 and name HN   ))   ((segid  B and resid  86 and name HG1* ))    1.80  0.00  3.22
 assign ((segid  B and resid  82 and name HN   ))   ((segid  B and resid  86 and name HG2* ))    1.80  0.00  2.38
 assign ((segid  B and resid  83 and name HN   ))   ((segid  B and resid  84 and name HN   ))    1.80  0.00  3.82
 assign ((segid  B and resid  83 and name HN   ))   ((segid  B and resid  85 and name HN   ))    1.80  0.00  4.25
 assign ((segid  B and resid  83 and name HN   ))   ((segid  B and resid  86 and name HB   ))    1.80  0.00  2.56
 assign ((segid  B and resid  83 and name HN   ))   ((segid  B and resid  86 and name HG1* ))    1.80  0.00  3.13
 assign ((segid  B and resid  83 and name HN   ))   ((segid  B and resid  86 and name HG2* ))    1.80  0.00  2.50
 assign ((segid  B and resid  84 and name HA   ))   ((segid  B and resid  84 and name HG*  ))    1.80  0.00  2.06
 assign ((segid  B and resid  84 and name HA   ))   ((segid  B and resid  86 and name HN   ))    1.80  0.00  3.49
 assign ((segid  B and resid  84 and name HA   ))   ((segid  B and resid  87 and name HB*  ))    1.80  0.00  1.30
 assign ((segid  B and resid  84 and name HA   ))   ((segid  B and resid  87 and name HN   ))    1.80  0.00  2.64
 assign ((segid  B and resid  84 and name HG*  ))   ((segid  B and resid  85 and name HN   ))    1.80  0.00  3.23
 assign ((segid  B and resid  84 and name HG*  ))   ((segid  B and resid  86 and name HN   ))    1.80  0.00  4.25
 assign ((segid  B and resid  84 and name HG*  ))   ((segid  B and resid  88 and name HD*  ))    1.80  0.00  2.92
 assign ((segid  B and resid  84 and name HG*  ))   ((segid  B and resid  88 and name HE   ))    1.80  0.00  4.25
 assign ((segid  B and resid  84 and name HG*  ))   ((segid  B and resid  88 and name HG*  ))    1.80  0.00  3.13
 assign ((segid  B and resid  84 and name HG*  ))   ((segid  B and resid  88 and name HN   ))    1.80  0.00  3.80
 assign ((segid  B and resid  84 and name HN   ))   ((segid  B and resid  84 and name HG*  ))    1.80  0.00  3.03
 assign ((segid  B and resid  84 and name HN   ))   ((segid  B and resid  87 and name HB*  ))    1.80  0.00  4.18
 assign ((segid  B and resid  85 and name HA   ))   ((segid  B and resid  88 and name HB*  ))    1.80  0.00  4.07
 assign ((segid  B and resid  85 and name HA   ))   ((segid  B and resid  88 and name HN   ))    1.80  0.00  3.23
 assign ((segid  B and resid  85 and name HB*  ))   ((segid  B and resid  86 and name HG2* ))    1.80  0.00  2.22
 assign ((segid  B and resid  85 and name HN   ))   ((segid  B and resid  86 and name HG2* ))    1.80  0.00  3.01
 assign ((segid  B and resid  85 and name HN   ))   ((segid  B and resid  86 and name HN   ))    1.80  0.00  2.52
 assign ((segid  B and resid  85 and name HN   ))   ((segid  B and resid  87 and name HB*  ))    1.80  0.00  4.25
 assign ((segid  B and resid  85 and name HN   ))   ((segid  B and resid  87 and name HN   ))    1.80  0.00  3.89
 assign ((segid  B and resid  86 and name HA   ))   ((segid  B and resid  86 and name HG1* ))    1.80  0.00  2.02
 assign ((segid  B and resid  86 and name HA   ))   ((segid  B and resid  86 and name HG2* ))    1.80  0.00  1.81
 assign ((segid  B and resid  86 and name HA   ))   ((segid  B and resid  89 and name HB*  ))    1.80  0.00  2.90
 assign ((segid  B and resid  86 and name HA   ))   ((segid  B and resid  89 and name HD2* ))    1.80  0.00  3.46
 assign ((segid  B and resid  86 and name HA   ))   ((segid  B and resid  89 and name HN   ))    1.80  0.00  3.22
 assign ((segid  B and resid  86 and name HA   ))   ((segid  B and resid  90 and name HN   ))    1.80  0.00  3.83
 assign ((segid  B and resid  86 and name HB   ))   ((segid  B and resid  87 and name HN   ))    1.80  0.00  2.72
 assign ((segid  B and resid  86 and name HG1* ))   ((segid  B and resid  87 and name HB*  ))    1.80  0.00  3.83
 assign ((segid  B and resid  86 and name HG1* ))   ((segid  B and resid  87 and name HN   ))    1.80  0.00  2.56
 assign ((segid  B and resid  86 and name HG2* ))   ((segid  B and resid  87 and name HN   ))    1.80  0.00  2.67
 assign ((segid  B and resid  86 and name HN   ))   ((segid  B and resid  86 and name HG2* ))    1.80  0.00  1.63
 assign ((segid  B and resid  87 and name HA   ))   ((segid  B and resid  90 and name HB*  ))    1.80  0.00  3.50
 assign ((segid  B and resid  87 and name HA   ))   ((segid  B and resid  90 and name HN   ))    1.80  0.00  3.15
 assign ((segid  B and resid  87 and name HB*  ))   ((segid  B and resid  88 and name HN   ))    1.80  0.00  1.79
 assign ((segid  B and resid  87 and name HN   ))   ((segid  B and resid  87 and name HB*  ))    1.80  0.00  1.36
 assign ((segid  B and resid  87 and name HN   ))   ((segid  B and resid  88 and name HB*  ))    1.80  0.00  3.73
 assign ((segid  B and resid  87 and name HN   ))   ((segid  B and resid  88 and name HG*  ))    1.80  0.00  3.47
 assign ((segid  B and resid  87 and name HN   ))   ((segid  B and resid  88 and name HN   ))    1.80  0.00  2.41
 assign ((segid  B and resid  88 and name HA   ))   ((segid  B and resid  88 and name HD1  ))    1.80  0.00  4.25
 assign ((segid  B and resid  88 and name HA   ))   ((segid  B and resid  88 and name HD2  ))    1.80  0.00  4.25
 assign ((segid  B and resid  88 and name HA   ))   ((segid  B and resid  90 and name HN   ))    1.80  0.00  3.91
 assign ((segid  B and resid  88 and name HA   ))   ((segid  B and resid  91 and name HB*  ))    1.80  0.00  2.17
 assign ((segid  B and resid  88 and name HA   ))   ((segid  B and resid  91 and name HN   ))    1.80  0.00  3.21
 assign ((segid  B and resid  88 and name HA   ))   ((segid  B and resid  92 and name HN   ))    1.80  0.00  4.15
 assign ((segid  B and resid  88 and name HB*  ))   ((segid  B and resid  88 and name HD*  ))    1.80  0.00  1.73
 assign ((segid  B and resid  88 and name HB*  ))   ((segid  B and resid  92 and name HD2* ))    1.80  0.00  4.60
 assign ((segid  B and resid  88 and name HN   ))   ((segid  B and resid  88 and name HB*  ))    1.80  0.00  2.02
 assign ((segid  B and resid  88 and name HN   ))   ((segid  B and resid  88 and name HD*  ))    1.80  0.00  3.40
 assign ((segid  B and resid  88 and name HN   ))   ((segid  B and resid  88 and name HG1  ))    1.80  0.00  2.59
 assign ((segid  B and resid  88 and name HN   ))   ((segid  B and resid  88 and name HG2  ))    1.80  0.00  2.59
 assign ((segid  B and resid  89 and name HA   ))   ((segid  B and resid  89 and name HD2* ))    1.80  0.00  2.78
 assign ((segid  B and resid  89 and name HA   ))   ((segid  B and resid  92 and name HD2* ))    1.80  0.00  2.40
 assign ((segid  B and resid  89 and name HA   ))   ((segid  B and resid  92 and name HN   ))    1.80  0.00  4.25
 assign ((segid  B and resid  89 and name HA   ))   ((segid  B and resid  93 and name HN   ))    1.80  0.00  4.25
 assign ((segid  B and resid  89 and name HB*  ))   ((segid  B and resid  89 and name HD1* ))    1.80  0.00  1.52
 assign ((segid  B and resid  89 and name HB*  ))   ((segid  B and resid  90 and name HN   ))    1.80  0.00  2.66
 assign ((segid  B and resid  89 and name HD2* ))   ((segid  B and resid  90 and name HN   ))    1.80  0.00  2.68
 assign ((segid  B and resid  89 and name HD2* ))   ((segid  B and resid  92 and name HN   ))    1.80  0.00  6.21
 assign ((segid  B and resid  89 and name HD2* ))   ((segid  B and resid  93 and name HB   ))    1.80  0.00  3.21
 assign ((segid  B and resid  89 and name HD2* ))   ((segid  B and resid  93 and name HG1* ))    1.80  0.00  3.20
 assign ((segid  B and resid  89 and name HN   ))   ((segid  B and resid  89 and name HD1* ))    1.80  0.00  3.35
 assign ((segid  B and resid  89 and name HN   ))   ((segid  B and resid  89 and name HD2* ))    1.80  0.00  3.12
 assign ((segid  B and resid  89 and name HN   ))   ((segid  B and resid  90 and name HN   ))    1.80  0.00  2.96
 assign ((segid  B and resid  89 and name HN   ))   ((segid  B and resid  91 and name HN   ))    1.80  0.00  3.89
 assign ((segid  B and resid  90 and name HA   ))   ((segid  B and resid  90 and name HD*  ))    1.80  0.00  2.26
 assign ((segid  B and resid  90 and name HA   ))   ((segid  B and resid  91 and name HB*  ))    1.80  0.00  3.87
 assign ((segid  B and resid  90 and name HA   ))   ((segid  B and resid  93 and name HB   ))    1.80  0.00  3.36
 assign ((segid  B and resid  90 and name HA   ))   ((segid  B and resid  93 and name HG1* ))    1.80  0.00  1.97
 assign ((segid  B and resid  90 and name HB*  ))   ((segid  B and resid  91 and name HB*  ))    1.80  0.00  2.89
 assign ((segid  B and resid  90 and name HB*  ))   ((segid  B and resid  93 and name HG1* ))    1.80  0.00  3.36
 assign ((segid  B and resid  90 and name HB1  ))   ((segid  B and resid  91 and name HN   ))    1.80  0.00  3.14
 assign ((segid  B and resid  90 and name HB2  ))   ((segid  B and resid  91 and name HN   ))    1.80  0.00  3.14
 assign ((segid  B and resid  90 and name HD*  ))   ((segid  B and resid  91 and name HN   ))    1.80  0.00  3.36
 assign ((segid  B and resid  90 and name HD*  ))   ((segid  B and resid  93 and name HG1* ))    1.80  0.00  2.75
 assign ((segid  B and resid  90 and name HN   ))   ((segid  B and resid  90 and name HD*  ))    1.80  0.00  3.07
 assign ((segid  B and resid  90 and name HN   ))   ((segid  B and resid  91 and name HB*  ))    1.80  0.00  3.00
 assign ((segid  B and resid  90 and name HN   ))   ((segid  B and resid  91 and name HN   ))    1.80  0.00  2.26
 assign ((segid  B and resid  91 and name HA   ))   ((segid  B and resid  94 and name HB*  ))    1.80  0.00  3.87
 assign ((segid  B and resid  91 and name HA   ))   ((segid  B and resid  94 and name HE21 ))    1.80  0.00  3.51
 assign ((segid  B and resid  91 and name HA   ))   ((segid  B and resid  94 and name HE22 ))    1.80  0.00  3.51
 assign ((segid  B and resid  91 and name HA   ))   ((segid  B and resid  94 and name HG*  ))    1.80  0.00  2.99
 assign ((segid  B and resid  91 and name HA   ))   ((segid  B and resid  94 and name HN   ))    1.80  0.00  3.45
 assign ((segid  B and resid  91 and name HB*  ))   ((segid  B and resid  93 and name HN   ))    1.80  0.00  3.51
 assign ((segid  B and resid  91 and name HN   ))   ((segid  B and resid  91 and name HB*  ))    1.80  0.00  1.45
 assign ((segid  B and resid  91 and name HN   ))   ((segid  B and resid  92 and name HN   ))    1.80  0.00  2.37
 assign ((segid  B and resid  92 and name HA   ))   ((segid  B and resid  95 and name HB   ))    1.80  0.00  2.48
 assign ((segid  B and resid  92 and name HA   ))   ((segid  B and resid  95 and name HG1* ))    1.80  0.00  3.15
 assign ((segid  B and resid  92 and name HA   ))   ((segid  B and resid  95 and name HG2* ))    1.80  0.00  1.79
 assign ((segid  B and resid  92 and name HA   ))   ((segid  B and resid  95 and name HN   ))    1.80  0.00  2.92
 assign ((segid  B and resid  92 and name HA   ))   ((segid  B and resid  96 and name HN   ))    1.80  0.00  4.12
 assign ((segid  B and resid  92 and name HB*  ))   ((segid  B and resid  93 and name HN   ))    1.80  0.00  2.64
 assign ((segid  B and resid  92 and name HG   ))   ((segid  B and resid  93 and name HA   ))    1.80  0.00  3.74
 assign ((segid  B and resid  92 and name HG   ))   ((segid  B and resid  93 and name HN   ))    1.80  0.00  3.25
 assign ((segid  B and resid  92 and name HN   ))   ((segid  B and resid  93 and name HN   ))    1.80  0.00  2.37
 assign ((segid  B and resid  93 and name HA   ))   ((segid  B and resid  93 and name HG1* ))    1.80  0.00  1.78
 assign ((segid  B and resid  93 and name HA   ))   ((segid  B and resid  93 and name HG2* ))    1.80  0.00  1.58
 assign ((segid  B and resid  93 and name HB   ))   ((segid  B and resid  94 and name HN   ))    1.80  0.00  3.15
 assign ((segid  B and resid  93 and name HG1* ))   ((segid  B and resid  94 and name HN   ))    1.80  0.00  2.16
 assign ((segid  B and resid  93 and name HG2* ))   ((segid  B and resid  94 and name HA   ))    1.80  0.00  4.03
 assign ((segid  B and resid  93 and name HN   ))   ((segid  B and resid  93 and name HB   ))    1.80  0.00  2.19
 assign ((segid  B and resid  93 and name HN   ))   ((segid  B and resid  93 and name HG1* ))    1.80  0.00  1.87
 assign ((segid  B and resid  93 and name HN   ))   ((segid  B and resid  93 and name HG2* ))    1.80  0.00  3.64
 assign ((segid  B and resid  93 and name HN   ))   ((segid  B and resid  94 and name HN   ))    1.80  0.00  2.69
 assign ((segid  B and resid  94 and name HA   ))   ((segid  B and resid  94 and name HE2* ))    1.80  0.00  4.07
 assign ((segid  B and resid  94 and name HA   ))   ((segid  B and resid  97 and name HB*  ))    1.80  0.00  2.12
 assign ((segid  B and resid  94 and name HA   ))   ((segid  B and resid  97 and name HN   ))    1.80  0.00  2.89
 assign ((segid  B and resid  94 and name HA   ))   ((segid  B and resid  98 and name HN   ))    1.80  0.00  3.25
 assign ((segid  B and resid  94 and name HB*  ))   ((segid  B and resid  94 and name HE2* ))    1.80  0.00  3.23
 assign ((segid  B and resid  94 and name HB*  ))   ((segid  B and resid  97 and name HB*  ))    1.80  0.00  4.00
 assign ((segid  B and resid  94 and name HG*  ))   ((segid  B and resid  95 and name HN   ))    1.80  0.00  2.79
 assign ((segid  B and resid  94 and name HN   ))   ((segid  B and resid  94 and name HG*  ))    1.80  0.00  2.24
 assign ((segid  B and resid  94 and name HN   ))   ((segid  B and resid  95 and name HN   ))    1.80  0.00  2.64
 assign ((segid  B and resid  95 and name HA   ))   ((segid  B and resid  95 and name HG1* ))    1.80  0.00  1.75
 assign ((segid  B and resid  95 and name HA   ))   ((segid  B and resid  95 and name HG2* ))    1.80  0.00  1.32
 assign ((segid  B and resid  95 and name HA   ))   ((segid  B and resid  98 and name HB1  ))    1.80  0.00  2.99
 assign ((segid  B and resid  95 and name HA   ))   ((segid  B and resid  98 and name HB2  ))    1.80  0.00  2.99
 assign ((segid  B and resid  95 and name HA   ))   ((segid  B and resid  98 and name HN   ))    1.80  0.00  2.75
 assign ((segid  B and resid  95 and name HA   ))   ((segid  B and resid  99 and name HN   ))    1.80  0.00  3.39
 assign ((segid  B and resid  95 and name HB   ))   ((segid  B and resid  96 and name HN   ))    1.80  0.00  2.84
 assign ((segid  B and resid  95 and name HB   ))   ((segid  B and resid  97 and name HN   ))    1.80  0.00  4.25
 assign ((segid  B and resid  95 and name HG1* ))   ((segid  B and resid  96 and name HA   ))    1.80  0.00  2.20
 assign ((segid  B and resid  95 and name HG1* ))   ((segid  B and resid  96 and name HN   ))    1.80  0.00  2.37
 assign ((segid  B and resid  95 and name HG1* ))   ((segid  B and resid  98 and name HB*  ))    1.80  0.00  4.25
 assign ((segid  B and resid  95 and name HG1* ))   ((segid  B and resid  98 and name HN   ))    1.80  0.00  3.78
 assign ((segid  B and resid  95 and name HG1* ))   ((segid  B and resid  99 and name HB*  ))    1.80  0.00  2.89
 assign ((segid  B and resid  95 and name HG1* ))   ((segid  B and resid  99 and name HG*  ))    1.80  0.00  3.09
 assign ((segid  B and resid  95 and name HG1* ))   ((segid  B and resid  99 and name HN   ))    1.80  0.00  3.34
 assign ((segid  B and resid  95 and name HG2* ))   ((segid  B and resid  96 and name HN   ))    1.80  0.00  2.75
 assign ((segid  B and resid  95 and name HN   ))   ((segid  B and resid  95 and name HB   ))    1.80  0.00  2.29
 assign ((segid  B and resid  95 and name HN   ))   ((segid  B and resid  95 and name HG1* ))    1.80  0.00  2.42
 assign ((segid  B and resid  95 and name HN   ))   ((segid  B and resid  95 and name HG2* ))    1.80  0.00  1.50
 assign ((segid  B and resid  95 and name HN   ))   ((segid  B and resid  96 and name HN   ))    1.80  0.00  2.70
 assign ((segid  B and resid  96 and name HA   ))   ((segid  B and resid  96 and name HG1* ))    1.80  0.00  1.78
 assign ((segid  B and resid  96 and name HA   ))   ((segid  B and resid  99 and name HB*  ))    1.80  0.00  3.70
 assign ((segid  B and resid  96 and name HA   ))   ((segid  B and resid 100 and name HD2  ))    1.80  0.00  3.21
 assign ((segid  B and resid  96 and name HB   ))   ((segid  B and resid  97 and name HN   ))    1.80  0.00  2.96
 assign ((segid  B and resid  96 and name HG1* ))   ((segid  B and resid  97 and name HN   ))    1.80  0.00  3.49
 assign ((segid  B and resid  96 and name HG1* ))   ((segid  B and resid 100 and name HD2  ))    1.80  0.00  3.45
 assign ((segid  B and resid  96 and name HG2* ))   ((segid  B and resid  97 and name HN   ))    1.80  0.00  2.24
 assign ((segid  B and resid  96 and name HG2* ))   ((segid  B and resid 100 and name HD2  ))    1.80  0.00  3.45
 assign ((segid  B and resid  96 and name HN   ))   ((segid  B and resid  96 and name HB   ))    1.80  0.00  2.49
 assign ((segid  B and resid  96 and name HN   ))   ((segid  B and resid  96 and name HG1* ))    1.80  0.00  2.38
 assign ((segid  B and resid  96 and name HN   ))   ((segid  B and resid  96 and name HG2* ))    1.80  0.00  2.18
 assign ((segid  B and resid  96 and name HN   ))   ((segid  B and resid  97 and name HN   ))    1.80  0.00  2.51
 assign ((segid  B and resid  97 and name HA   ))   ((segid  B and resid 101 and name HD2* ))    1.80  0.00  3.63
 assign ((segid  B and resid  97 and name HB*  ))   ((segid  B and resid  98 and name HA   ))    1.80  0.00  3.74
 assign ((segid  B and resid  97 and name HB*  ))   ((segid  B and resid  98 and name HB*  ))    1.80  0.00  3.56
 assign ((segid  B and resid  97 and name HB*  ))   ((segid  B and resid  98 and name HN   ))    1.80  0.00  2.14
 assign ((segid  B and resid  97 and name HB*  ))   ((segid  B and resid 101 and name HD2* ))    1.80  0.00  2.34
 assign ((segid  B and resid  97 and name HN   ))   ((segid  B and resid  97 and name HB*  ))    1.80  0.00  1.67
 assign ((segid  B and resid  98 and name HB1  ))   ((segid  B and resid  99 and name HN   ))    1.80  0.00  3.01
 assign ((segid  B and resid  98 and name HB2  ))   ((segid  B and resid  99 and name HN   ))    1.80  0.00  3.01
 assign ((segid  B and resid  98 and name HN   ))   ((segid  B and resid  98 and name HB1  ))    1.80  0.00  2.12
 assign ((segid  B and resid  98 and name HN   ))   ((segid  B and resid  98 and name HB2  ))    1.80  0.00  2.12
 assign ((segid  B and resid  99 and name HB1  ))   ((segid  B and resid 100 and name HN   ))    1.80  0.00  3.19
 assign ((segid  B and resid  99 and name HB2  ))   ((segid  B and resid 100 and name HN   ))    1.80  0.00  3.19
 assign ((segid  B and resid  99 and name HG*  ))   ((segid  B and resid 100 and name HN   ))    1.80  0.00  3.22
 assign ((segid  B and resid  99 and name HN   ))   ((segid  B and resid  99 and name HB*  ))    1.80  0.00  1.86
 assign ((segid  B and resid  99 and name HN   ))   ((segid  B and resid  99 and name HG1  ))    1.80  0.00  3.35
 assign ((segid  B and resid  99 and name HN   ))   ((segid  B and resid  99 and name HG2  ))    1.80  0.00  3.35
 assign ((segid  B and resid  99 and name HN   ))   ((segid  B and resid 100 and name HN   ))    1.80  0.00  2.61
 assign ((segid  B and resid 100 and name HN   ))   ((segid  B and resid 100 and name HD2  ))    1.80  0.00  3.46
 assign ((segid  B and resid 101 and name HA   ))   ((segid  B and resid 101 and name HD2* ))    1.80  0.00  2.14
 assign ((segid  B and resid 101 and name HB*  ))   ((segid  B and resid 101 and name HD1* ))    1.80  0.00  1.89
 assign ((segid  B and resid 101 and name HB*  ))   ((segid  B and resid 101 and name HD2* ))    1.80  0.00  1.84
 assign ((segid  B and resid 101 and name HB*  ))   ((segid  B and resid 102 and name HN   ))    1.80  0.00  2.41
 assign ((segid  B and resid 101 and name HD2* ))   ((segid  B and resid 102 and name HN   ))    1.80  0.00  3.22
 assign ((segid  B and resid 101 and name HN   ))   ((segid  B and resid 101 and name HD1* ))    1.80  0.00  3.07
 assign ((segid  B and resid 101 and name HN   ))   ((segid  B and resid 101 and name HD2* ))    1.80  0.00  3.27
 assign ((segid  B and resid 101 and name HN   ))   ((segid  B and resid 101 and name HG   ))    1.80  0.00  3.17
 assign ((segid  B and resid 101 and name HN   ))   ((segid  B and resid 102 and name HN   ))    1.80  0.00  2.56
 assign ((segid  B and resid 102 and name HN   ))   ((segid  B and resid 102 and name HG*  ))    1.80  0.00  2.63
 assign ((segid  B and resid 107 and name HB*  ))   ((segid  B and resid 108 and name HN   ))    1.80  0.00  2.58

list of removed NOE constraints

   474-> LEU A  33 HD*  - LEU  A  34 HN    1.80  5.75 	 # Same atoms-diff bounds ( 461)
   636-> ILE A  44 HA   - ILE  A  44 HG2*  1.80  3.78 	 # NoRestrctn I [2.63 3.78] -- intra 
   882-> GLY A  65 HN   - GLY  A  66 HA*   1.80  5.44 	 # NoRestrctn S [2.00 3.55] -- sequential
  1606-> LEU B  33 HD*  - LEU  B  34 HN    1.80  5.75 	 # Same atoms-diff bounds (1593)
  1768-> ILE B  44 HA   - ILE  B  44 HG2*  1.80  3.78 	 # NoRestrctn I [2.63 3.78] -- intra 
  2014-> GLY B  65 HN   - GLY  B  66 HA*   1.80  5.44 	 # NoRestrctn S [2.00 3.55] -- sequential
 ====== TOTAL ======:  6 

table of distance constraints violations


  Residual Violations greater than 0.10 

   22-> LEU  A  12 HG   - GLN  B  29 HG*  [ 1.80  5.35]  0.00  0.10  0.05  0.02  0.00  0.11  0.03  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   5 [ 0.02 ..  0.11]
   42-> ALA  A  16 HB*  - GLY  B  25 HA*  [ 1.80  4.30]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.38  1.01  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.38 ..  1.01]
   55-> LYS  A  20 HN   - ALA  B  23 HB*  [ 1.80  3.96]  0.00  0.00  0.00  0.33  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.33 ..  0.33]
   85-> LEU  B  12 HG   - GLN  A  29 HG*  [ 1.80  5.35]  0.00  0.11  0.05  0.02  0.00  0.11  0.03  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   5 [ 0.02 ..  0.11]
  105-> ALA  B  16 HB*  - GLY  A  25 HA*  [ 1.80  4.30]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.38  1.01  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.38 ..  1.01]
  118-> LYS  B  20 HN   - ALA  A  23 HB*  [ 1.80  3.96]  0.00  0.00  0.00  0.33  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.33 ..  0.33]
  235-> ARG  A  17 HD*  - SER  A  64 HB*  [ 1.80  5.00]  0.28  0.46  0.00  0.19  0.00  0.16  0.38  0.19  0.27  0.19  0.00  0.29  0.00  0.29  0.00  0.00  0.00  0.42 -  11 [ 0.16 ..  0.46]
  310-> ASN  A  24 HN   - LEU  A  28 HD1* [ 1.80  4.00]  0.00  0.00  0.00  0.85  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.85 ..  0.85]
  357-> GLN  A  29 HE2* - MET  A  50 HE*  [ 1.80  5.37]  0.00  0.00  0.00  0.02  0.00  0.06  0.01  0.05  0.00  0.00  0.10  0.09  0.13  0.00  0.06  0.11  0.07  0.00 -  10 [ 0.01 ..  0.13]
  522-> GLU  A  38 HB*  - ARG  A  80 HE   [ 1.80  5.44]  0.01  0.13  0.01  0.00  0.09  0.00  0.00  0.06  0.00  0.05  0.00  0.00  0.00  0.00  0.03  0.00  0.05  0.00 -   8 [ 0.01 ..  0.13]
  835-> LEU  A  62 HA   - LEU  A  67 HD2* [ 1.80  5.13]  0.00  0.00  0.00  0.00  0.02  0.00  0.00  0.11  0.00  0.00  0.00  0.00  0.00  0.00  0.12  0.00  0.05  0.11 -   5 [ 0.02 ..  0.12]
  839-> LEU  A  62 HB*  - LEU  A  67 HD2* [ 1.80  5.36]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.20  0.00  0.00  0.00  0.00  0.00  0.00  0.24  0.00  0.00  0.00 -   2 [ 0.20 ..  0.24]
  897-> LEU  A  67 HB*  - VAL  A  68 HG2* [ 1.80  4.75]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.13  0.00  0.00  0.00  0.00  0.00  0.00  0.09  0.00  0.00  0.00 -   2 [ 0.09 ..  0.13]
  899-> LEU  A  67 HD1* - VAL  A  86 HA   [ 1.80  4.89]  0.00  0.00  0.00  0.00  0.13  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.07  0.15 -   3 [ 0.07 ..  0.15]
  944-> GLU  A  69 HG3  - ALA  A  82 HB*  [ 1.80  3.74]  0.00  0.00  0.00  0.00  0.06  0.00  0.00  0.00  0.04  0.00  0.00  0.00  0.12  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.04 ..  0.12]
 1019-> ARG  A  76 HD*  - GLN  A  77 HN   [ 1.80  4.80]  0.10  0.00  0.11  0.00  0.00  0.00  0.14  0.09  0.03  0.06  0.07  0.00  0.00  0.04  0.04  0.08  0.16  0.05 -  12 [ 0.03 ..  0.16]
 1020-> ARG  A  76 HD*  - TYR  A  78 HE*  [ 1.80  4.09]  0.00  0.00  0.05  0.06  0.00  0.00  0.10  0.15  0.00  0.06  0.05  0.00  0.00  0.16  0.16  0.12  0.09  0.02 -  11 [ 0.02 ..  0.16]
 1144-> LEU  A  89 HD2* - VAL  A  93 HB   [ 1.80  5.01]  0.00  0.00  0.02  0.07  0.00  0.04  0.06  0.00  0.09  0.00  0.36  0.07  0.11  0.11  0.11  0.00  0.00  0.00 -  11 [ 0.00 ..  0.36]
 1153-> PHE  A  90 HA   - VAL  A  93 HG1* [ 1.80  3.77]  0.02  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.15  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.02 ..  0.15]
 1220-> VAL  A  96 HA   - HIS  A 100 HD2  [ 1.80  5.01]  0.00  0.00  0.00  0.00  1.16  0.00  0.00  0.00  0.00  0.00  0.12  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.12 ..  1.16]
 1225-> VAL  A  96 HG2* - HIS  A 100 HD2  [ 1.80  5.25]  0.00  0.15  0.00  0.00  0.91  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.54  0.00  0.00  0.21 -   4 [ 0.15 ..  0.91]
 1230-> ALA  A  97 HA   - LEU  A 101 HD2* [ 1.80  5.43]  0.09  0.00  0.00  0.00  0.00  0.22  0.00  0.07  0.12  0.00  0.00  0.09  0.00  0.00  0.00  0.00  0.00  0.00 -   5 [ 0.07 ..  0.22]
 1258-> HIS  A 107 HB*  - HIS  A 108 HN   [ 1.80  4.38]  0.00  0.02  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.10  0.00  0.00  0.00  0.00  0.01  0.00  0.00  0.00 -   3 [ 0.01 ..  0.10]
 1367-> ARG  B  17 HD*  - SER  B  64 HB*  [ 1.80  5.00]  0.28  0.46  0.00  0.19  0.00  0.16  0.38  0.19  0.27  0.19  0.00  0.29  0.00  0.29  0.00  0.00  0.00  0.42 -  11 [ 0.16 ..  0.46]
 1442-> ASN  B  24 HN   - LEU  B  28 HD1* [ 1.80  4.00]  0.00  0.00  0.00  0.85  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.85 ..  0.85]
 1489-> GLN  B  29 HE2* - MET  B  50 HE*  [ 1.80  5.37]  0.00  0.00  0.00  0.02  0.00  0.06  0.01  0.05  0.00  0.00  0.10  0.09  0.13  0.00  0.06  0.11  0.07  0.00 -  10 [ 0.01 ..  0.13]
 1654-> GLU  B  38 HB*  - ARG  B  80 HE   [ 1.80  5.44]  0.01  0.13  0.01  0.00  0.09  0.00  0.00  0.06  0.00  0.05  0.00  0.00  0.00  0.00  0.03  0.00  0.05  0.00 -   8 [ 0.01 ..  0.13]
 1967-> LEU  B  62 HA   - LEU  B  67 HD2* [ 1.80  5.13]  0.00  0.00  0.00  0.00  0.02  0.00  0.00  0.11  0.00  0.00  0.00  0.00  0.00  0.00  0.12  0.00  0.05  0.11 -   5 [ 0.02 ..  0.12]
 1971-> LEU  B  62 HB*  - LEU  B  67 HD2* [ 1.80  5.36]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.20  0.00  0.00  0.00  0.00  0.00  0.00  0.24  0.00  0.00  0.00 -   2 [ 0.20 ..  0.24]
 2029-> LEU  B  67 HB*  - VAL  B  68 HG2* [ 1.80  4.75]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.13  0.00  0.00  0.00  0.00  0.00  0.00  0.09  0.00  0.00  0.00 -   2 [ 0.09 ..  0.13]
 2031-> LEU  B  67 HD1* - VAL  B  86 HA   [ 1.80  4.89]  0.00  0.00  0.00  0.00  0.14  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.07  0.15 -   3 [ 0.07 ..  0.15]
 2076-> GLU  B  69 HG3  - ALA  B  82 HB*  [ 1.80  3.74]  0.00  0.00  0.00  0.00  0.06  0.00  0.00  0.00  0.04  0.00  0.00  0.00  0.13  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.04 ..  0.13]
 2151-> ARG  B  76 HD*  - GLN  B  77 HN   [ 1.80  4.80]  0.10  0.00  0.11  0.00  0.00  0.00  0.14  0.09  0.03  0.06  0.07  0.00  0.00  0.03  0.04  0.08  0.16  0.05 -  12 [ 0.03 ..  0.16]
 2152-> ARG  B  76 HD*  - TYR  B  78 HE*  [ 1.80  4.09]  0.00  0.00  0.04  0.06  0.00  0.00  0.10  0.15  0.00  0.06  0.05  0.00  0.00  0.16  0.16  0.12  0.09  0.02 -  11 [ 0.02 ..  0.16]
 2276-> LEU  B  89 HD2* - VAL  B  93 HB   [ 1.80  5.01]  0.00  0.00  0.02  0.07  0.00  0.04  0.06  0.00  0.09  0.00  0.36  0.07  0.11  0.11  0.11  0.00  0.00  0.00 -  11 [ 0.00 ..  0.36]
 2285-> PHE  B  90 HA   - VAL  B  93 HG1* [ 1.80  3.77]  0.02  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.15  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.02 ..  0.15]
 2352-> VAL  B  96 HA   - HIS  B 100 HD2  [ 1.80  5.01]  0.00  0.00  0.00  0.00  1.16  0.00  0.00  0.00  0.00  0.00  0.12  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.12 ..  1.16]
 2357-> VAL  B  96 HG2* - HIS  B 100 HD2  [ 1.80  5.25]  0.00  0.15  0.00  0.00  0.91  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.54  0.00  0.00  0.21 -   4 [ 0.15 ..  0.91]
 2362-> ALA  B  97 HA   - LEU  B 101 HD2* [ 1.80  5.43]  0.09  0.00  0.00  0.00  0.00  0.22  0.00  0.07  0.12  0.00  0.00  0.09  0.00  0.00  0.00  0.00  0.00  0.00 -   5 [ 0.07 ..  0.22]
 2390-> HIS  B 107 HB*  - HIS  B 108 HN   [ 1.80  4.38]  0.00  0.02  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.10  0.00  0.00  0.00  0.00  0.01  0.00  0.00  0.00 -   3 [ 0.01 ..  0.10]
 2391-> LEU  A  11 HN   - LYS  A   8 O    [ 1.70  2.30]  0.11  0.02  0.03  0.00  0.10  0.07  0.06  0.07  0.08  0.04  0.02  0.06  0.10  0.09  0.09  0.09  0.09  0.01 -  17 [ 0.01 ..  0.11]
 2393-> GLN  A  14 HN   - ALA  A  10 O    [ 1.70  2.30]  0.00  0.09  0.16  0.04  0.06  0.00  0.01  0.00  0.00  0.08  0.09  0.00  0.00  0.04  0.01  0.02  0.00  0.07 -  11 [ 0.01 ..  0.16]
 2459-> GLY  A  66 HN   - LYS  A  63 O    [ 1.70  2.30]  0.00  0.00  0.08  0.00  0.00  0.00  0.09  0.76  0.00  0.02  0.03  0.03  0.04  0.00  0.72  0.06  0.01  0.07 -  11 [ 0.01 ..  0.76]
 2460-> GLY  A  66 N    - LYS  A  63 O    [ 2.50  3.30]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.64  0.00  0.00  0.00  0.00  0.00  0.00  0.63  0.00  0.00  0.00 -   2 [ 0.63 ..  0.64]
 2493-> GLN  A  94 HN   - PHE  A  90 O    [ 1.70  2.30]  0.00  0.05  0.07  0.11  0.14  0.00  0.06  0.07  0.00  0.00  0.00  0.16  0.12  0.11  0.06  0.14  0.12  0.03 -  13 [ 0.03 ..  0.16]
 2505-> LEU  B  11 HN   - LYS  B   8 O    [ 1.70  2.30]  0.11  0.02  0.03  0.00  0.10  0.07  0.06  0.07  0.08  0.04  0.01  0.06  0.10  0.09  0.08  0.10  0.09  0.01 -  17 [ 0.01 ..  0.11]
 2507-> GLN  B  14 HN   - ALA  B  10 O    [ 1.70  2.30]  0.00  0.09  0.16  0.04  0.06  0.00  0.01  0.00  0.00  0.08  0.09  0.00  0.00  0.04  0.01  0.02  0.00  0.07 -  11 [ 0.01 ..  0.16]
 2573-> GLY  B  66 HN   - LYS  B  63 O    [ 1.70  2.30]  0.00  0.00  0.08  0.00  0.00  0.00  0.09  0.76  0.00  0.02  0.03  0.03  0.04  0.00  0.72  0.06  0.01  0.07 -  11 [ 0.01 ..  0.76]
 2574-> GLY  B  66 N    - LYS  B  63 O    [ 2.50  3.30]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.64  0.00  0.00  0.00  0.00  0.00  0.00  0.63  0.00  0.00  0.00 -   2 [ 0.63 ..  0.64]
 2607-> GLN  B  94 HN   - PHE  B  90 O    [ 1.70  2.30]  0.00  0.05  0.06  0.11  0.14  0.00  0.06  0.07  0.00  0.00  0.00  0.16  0.12  0.11  0.05  0.14  0.12  0.03 -  13 [ 0.03 ..  0.16]
   -------------------------------------------  
       Number of Violations greater than 0.10               6     8     4     8    10     6     4    14     4     6     6     6     8     8    14     6     4     8
   -------------------------------------------  

        ----  Summary Of Residual Distance Constraint Violations ---- 
                      Mod  1 Mod  2 Mod  3 Mod  4 Mod  5 Mod  6 Mod  7 Mod  8 Mod  9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18       Averages   
                      ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~     ~~~~~~~~~~~  
      0.1 - 0.2  ang:      4      6      4      4      6      4      2      8      2      6      2      2      8      6      6      6      4      4         4.67
      0.2 - 0.5  ang:      2      2      0      2      0      2      2      2      2      0      4      2      0      2      2      0      0      4         1.56
        > 0.5    ang:      0      0      0      2      4      0      0      4      0      0      0      2      0      0      6      0      0      0         1.00
        Total       :     28     56     46     66     50     30     44     76     38     48     60     54     42     48     64     40     48     62        50.00
 Minimum Violation  :  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000        0.000
 Maximum Violation  :  0.280  0.464  0.160  0.846  1.161  0.221  0.382  0.759  0.266  0.194  0.380  1.006  0.131  0.292  0.725  0.140  0.165  0.422        1.161
    Max  Intra Viol :  0.063  0.051  0.054  0.029  0.000  0.010  0.012  0.017  0.020  0.083  0.078  0.036  0.000  0.046  0.049  0.038  0.010  0.016        0.083
    Max  Inter Viol :  0.016  0.106  0.052  0.327  0.029  0.107  0.032  0.000  0.052  0.055  0.380  1.006  0.075  0.026  0.019  0.000  0.015  0.028        1.006
    Max  Seque Viol :  0.103  0.085  0.114  0.052  0.020  0.009  0.140  0.128  0.026  0.103  0.073  0.026  0.011  0.035  0.086  0.078  0.165  0.053        0.165
    Max Medium Viol :  0.112  0.148  0.160  0.846  1.161  0.221  0.099  0.759  0.116  0.153  0.357  0.163  0.116  0.158  0.725  0.140  0.120  0.207        1.161
    Max   Long Viol :  0.280  0.464  0.065  0.193  0.135  0.164  0.382  0.205  0.266  0.194  0.098  0.287  0.131  0.292  0.245  0.106  0.076  0.422        0.464
 Average Violation  :  0.001  0.001  0.001  0.002  0.003  0.001  0.001  0.003  0.001  0.001  0.002  0.002  0.001  0.001  0.003  0.001  0.001  0.001      0.00141
    Avge Intra Viol :  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.001  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000      0.00017
    Avge Inter Viol :  0.000  0.003  0.001  0.007  0.000  0.002  0.001  0.000  0.001  0.001  0.006  0.018  0.001  0.001  0.000  0.000  0.000  0.000      0.00239
    Avge Seque Viol :  0.001  0.002  0.002  0.006  0.009  0.002  0.002  0.007  0.002  0.002  0.004  0.003  0.002  0.003  0.009  0.002  0.002  0.003      0.00346
    Avge Mediu Viol :  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.001  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.001  0.000      0.00027
    Avge  Long Viol :  0.001  0.002  0.000  0.001  0.002  0.001  0.002  0.004  0.002  0.001  0.001  0.002  0.002  0.001  0.003  0.001  0.002  0.003      0.00178
 RMS     Violation  :  0.010  0.015  0.008  0.027  0.042  0.009  0.013  0.030  0.010  0.010  0.017  0.030  0.009  0.011  0.033  0.008  0.009  0.015      0.01982
   RMS   Inter      :  0.002  0.017  0.007  0.042  0.004  0.014  0.005  0.000  0.007  0.007  0.048  0.127  0.009  0.004  0.002  0.000  0.002  0.003      0.03417
   RMS   Intra      :  0.004  0.003  0.004  0.002  0.000  0.001  0.001  0.001  0.001  0.006  0.005  0.002  0.000  0.004  0.003  0.002  0.001  0.001      0.00285
   RMS   Sequential :  0.009  0.013  0.014  0.051  0.087  0.015  0.013  0.059  0.012  0.013  0.025  0.016  0.014  0.016  0.066  0.014  0.012  0.015      0.03417
   RMS Medium range :  0.005  0.005  0.006  0.003  0.001  0.000  0.007  0.009  0.001  0.006  0.004  0.001  0.001  0.002  0.005  0.005  0.009  0.003      0.00480
   RMS  Long range  :  0.017  0.028  0.004  0.012  0.013  0.010  0.023  0.021  0.017  0.013  0.010  0.020  0.012  0.018  0.018  0.008  0.010  0.028      0.01700


 Final --global-- Summary for 18 models, 2618 NOEs/model, 47124 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 
     Summ of viol :     66.300
    Summ sq. viol :     18.512
     Maximum viol :      1.161
     Average viol :    0.00141
        RMSD viol :    0.01982
   Std. Dev. viol :    0.01977
      RMS   Inter :    0.03417 
      RMS   Intra :    0.00285 
      RMS   Seque :    0.03417 
      RMS   Medi  :    0.00480 
      RMS   Long  :    0.01700 

table of dihedral angle constraints violations


    ----  ACOSummary Of Residual ACO Constraint Violations ---- 

                      Mod  1 Mod  2 Mod  3 Mod  4 Mod  5 Mod  6 Mod  7 Mod  8 Mod  9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18        Averages  
                      ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~      ~~~~~~~~~~~ 
 1 - 10.  degrees   :      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0          0.00
   > 10.  degrees   :      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0          0.00
        Total       :      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0          0.00
 Minimum Violation  :    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0          0.00
 Maximum Violation  :    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0          0.00
     Max   PHI Viol :    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0          0.00
     Max   PSI Viol :    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0          0.00
 Average Violation  :    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0         0.000
     Avge  PHI Viol :  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000         0.000
     Avge  PSI Viol :  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000         0.000
 RMS     Violation  :  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000         0.000
      RMS  PHI Viol :  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000         0.000
      RMS  PSI Viol :  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000         0.000


 Final --global-- Summary for 18 models, 336 ACOs/model, 6048 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 
      Summ. Viol. :       0.00
  Summ. Sq. Viol. :       0.00
      Max.  Viol. :      0.000
      Avg.  Viol. :    0.00000
      RMS   Viol. :    0.00000
  Std. Dev. Viol. :    0.00000

JPEG image for inter-residue distance constraints per residue plot

constraints_plot.jpg

S(phi)|S(psi) V/S Residue number

Text output from PDBStat of phi psi order


#     CHAIN                                                              .GT.  SUM.GT.
#  RES  ID DIH  S(phi)  S(psi)  S(chi1) S(chi2) S(chi3) S(chi4) S(chi5)  0.90     1.6 
#  ----------------------------------------------------------------------------------- 
   MET  M   1           0.394   0.718   0.432   0.188                                
   ALA  M   2   0.364   0.329                                                        
   GLY  M   3   0.287   0.265                                                        
   GLN  M   4   0.299   0.337   0.586   0.517   0.846                                
   SER  M   5   0.459   0.215   0.380                                                
   ASP  M   6   0.686   0.625   0.535   0.958                                        
   ARG  M   7   0.997   0.996   0.866   0.999   0.922   0.934   1.000       7        7 
   LYS  M   8   0.998   0.989   0.443   0.922   0.397   0.998               8        8 
   ALA  M   9   0.999   0.997                                               9        9 
   ALA  M  10   0.999   0.998                                              10       10 
   LEU  M  11   0.999   0.998   0.844   0.787                              11       11 
   LEU  M  12   0.999   0.998   0.999   0.999                              12       12 
   ASP  M  13   1.000   0.998   1.000   1.000                              13       13 
   GLN  M  14   0.999   0.999   0.809   0.759   0.860                      14       14 
   VAL  M  15   0.997   0.993   0.638                                      15       15 
   ALA  M  16   0.998   0.999                                              16       16 
   ARG  M  17   0.998   0.998   0.640   0.985   0.575   0.391   1.000      17       17 
   VAL  M  18   0.999   0.998   1.000                                      18       18 
   GLY  M  19   0.999   0.999                                              19       19 
   LYS  M  20   0.998   0.999   0.805   0.999   1.000   1.000              20       20 
   ALA  M  21   1.000   0.999                                              21       21 
   LEU  M  22   0.998   0.987   1.000   1.000                              22       22 
   ALA  M  23   0.988   0.806                                                       23 
   ASN  M  24   0.535   0.066   0.675   0.832                                        
   GLY  M  25   0.199   0.692                                                        
   ARG  M  26   0.992   0.990   0.998   0.567   0.857   0.879   1.000      26       26 
   ARG  M  27   0.996   0.995   0.771   0.986   0.548   0.656   1.000      27       27 
   LEU  M  28   0.997   0.995   0.998   0.996                              28       28 
   GLN  M  29   0.999   0.999   0.641   0.999   0.993                      29       29 
   ILE  M  30   1.000   0.999   1.000   0.915                              30       30 
   LEU  M  31   1.000   0.999   1.000   1.000                              31       31 
   ASP  M  32   0.999   0.998   0.994   0.905                              32       32 
   LEU  M  33   0.999   0.998   0.850   0.860                              33       33 
   LEU  M  34   0.999   0.999   1.000   0.999                              34       34 
   ALA  M  35   0.999   1.000                                              35       35 
   GLN  M  36   0.997   0.992   0.999   0.998   0.884                      36       36 
   GLY  M  37   0.992   0.988                                              37       37 
   GLU  M  38   0.998   0.999   0.921   0.997   0.808                      38       38 
   ARG  M  39   0.999   1.000   1.000   0.936   1.000   1.000   1.000      39       39 
   ALA  M  40   0.999   0.999                                              40       40 
   VAL  M  41   1.000   1.000   1.000                                      41       41 
   GLU  M  42   1.000   1.000   0.863   0.999   0.981                      42       42 
   ALA  M  43   1.000   1.000                                              43       43 
   ILE  M  44   1.000   1.000   1.000   1.000                              44       44 
   ALA  M  45   1.000   0.999                                              45       45 
   THR  M  46   1.000   1.000   1.000                                      46       46 
   ALA  M  47   1.000   1.000                                              47       47 
   THR  M  48   0.999   0.998   1.000                                      48       48 
   GLY  M  49   0.999   0.999                                              49       49 
   MET  M  50   0.995   0.996   0.505   0.996   0.269                      50       50 
   ASN  M  51   0.998   0.996   0.815   0.920                              51       51 
   LEU  M  52   0.999   0.998   0.836   0.845                              52       52 
   THR  M  53   0.998   0.998   0.916                                      53       53 
   THR  M  54   1.000   0.999   1.000                                      54       54 
   ALA  M  55   1.000   0.999                                              55       55 
   SER  M  56   0.999   0.996   0.364                                      56       56 
   ALA  M  57   1.000   1.000                                              57       57 
   ASN  M  58   0.999   0.999   0.998   0.969                              58       58 
   LEU  M  59   1.000   1.000   1.000   1.000                              59       59 
   GLN  M  60   1.000   0.999   0.638   0.377   0.853                      60       60 
   ALA  M  61   1.000   1.000                                              61       61 
   LEU  M  62   0.999   0.993   0.999   1.000                              62       62 
   LYS  M  63   0.997   0.996   0.999   0.995   0.640   0.499              63       63 
   SER  M  64   0.999   0.995   0.401                                      64       64 
   GLY  M  65   0.941   0.970                                              65       65 
   GLY  M  66   0.780   0.985                                                        
   LEU  M  67   0.780   0.914   0.958   0.432                                        
   VAL  M  68   0.999   0.999   1.000                                      68       68 
   GLU  M  69   0.996   0.998   0.755   0.874   0.927                      69       69 
   ALA  M  70   0.999   1.000                                              70       70 
   ARG  M  71   0.993   0.995   0.571   0.584   0.785   0.583   1.000      71       71 
   ARG  M  72   0.996   0.993   0.656   0.926   0.853   0.940   1.000      72       72 
   GLU  M  73   0.998   0.998   0.597   0.862   0.957                      73       73 
   GLY  M  74   1.000   1.000                                              74       74 
   THR  M  75   0.999   0.999   1.000                                      75       75 
   ARG  M  76   0.996   0.998   0.818   0.998   0.605   0.559   1.000      76       76 
   GLN  M  77   0.997   0.994   0.681   0.996   0.758                      77       77 
   TYR  M  78   0.996   0.999   0.997   0.887                              78       78 
   TYR  M  79   0.999   0.999   0.999   1.000                              79       79 
   ARG  M  80   1.000   0.998   0.997   0.742   0.930   0.611   1.000      80       80 
   ILE  M  81   0.997   0.999   0.999   0.701                              81       81 
   ALA  M  82   0.981   0.876                                                       82 
   GLY  M  83   0.910   0.987                                              83       83 
   GLU  M  84   1.000   0.998   0.928   0.999   0.946                      84       84 
   ASP  M  85   1.000   0.999   0.999   0.982                              85       85 
   VAL  M  86   1.000   1.000   1.000                                      86       86 
   ALA  M  87   1.000   0.999                                              87       87 
   ARG  M  88   0.999   0.999   1.000   0.999   0.999   0.792   1.000      88       88 
   LEU  M  89   0.999   0.997   0.998   0.854                              89       89 
   PHE  M  90   0.999   1.000   0.997   0.999                              90       90 
   ALA  M  91   1.000   1.000                                              91       91 
   LEU  M  92   0.999   0.999   1.000   1.000                              92       92 
   VAL  M  93   0.999   0.997   0.873                                      93       93 
   GLN  M  94   1.000   0.999   0.880   0.999   0.799                      94       94 
   VAL  M  95   1.000   0.998   1.000                                      95       95 
   VAL  M  96   0.998   0.995   0.811                                      96       96 
   ALA  M  97   0.999   0.999                                              97       97 
   ASP  M  98   0.997   0.994   0.874   0.899                              98       98 
   GLU  M  99   0.995   0.997   0.856   0.465   0.900                      99       99 
   HIS  M 100   0.993   0.993   0.928   0.628                             100      100 
   LEU  M 101   0.975   0.948   0.546   0.539                             101      101 
   GLU  M 102   0.608   0.291   0.503   0.917   0.933                                
   HIS  M 103   0.604   0.427   0.577   0.228                                        
   HIS  M 104   0.778   0.318   0.583   0.146                                        
   HIS  M 105   0.600   0.327   0.573   0.622                                        
   HIS  M 106   0.629   0.317   0.371   0.360                                        
   HIS  M 107   0.567   0.473   0.597   0.600                                        
   HIS  M 108   0.529   0.258   0.783   0.744                                        
   MET  M 119   0.415   0.394   0.718   0.433   0.188                                
   ALA  M 120   0.364   0.329                                                        
   GLY  M 121   0.287   0.265                                                        
   GLN  M 122   0.299   0.337   0.586   0.517   0.846                                
   SER  M 123   0.459   0.215   0.380                                                
   ASP  M 124   0.686   0.625   0.535   0.958                                        
   ARG  M 125   0.997   0.996   0.866   0.999   0.922   0.934   1.000     125      125 
   LYS  M 126   0.998   0.989   0.443   0.922   0.397   0.998             126      126 
   ALA  M 127   0.999   0.997                                             127      127 
   ALA  M 128   0.999   0.998                                             128      128 
   LEU  M 129   0.999   0.998   0.844   0.787                             129      129 
   LEU  M 130   0.999   0.998   0.999   0.999                             130      130 
   ASP  M 131   1.000   0.998   1.000   1.000                             131      131 
   GLN  M 132   0.999   1.000   0.809   0.759   0.860                     132      132 
   VAL  M 133   0.997   0.993   0.638                                     133      133 
   ALA  M 134   0.998   0.999                                             134      134 
   ARG  M 135   0.998   0.998   0.639   0.985   0.574   0.391   1.000     135      135 
   VAL  M 136   0.999   0.998   1.000                                     136      136 
   GLY  M 137   0.999   0.999                                             137      137 
   LYS  M 138   0.999   0.999   0.805   0.999   1.000   1.000             138      138 
   ALA  M 139   1.000   0.999                                             139      139 
   LEU  M 140   0.998   0.987   1.000   1.000                             140      140 
   ALA  M 141   0.988   0.806                                                      141 
   ASN  M 142   0.535   0.066   0.675   0.832                                        
   GLY  M 143   0.198   0.692                                                        
   ARG  M 144   0.992   0.990   0.998   0.567   0.857   0.879   1.000     144      144 
   ARG  M 145   0.996   0.995   0.771   0.986   0.548   0.655   1.000     145      145 
   LEU  M 146   0.997   0.995   0.998   0.996                             146      146 
   GLN  M 147   0.999   0.999   0.641   0.999   0.993                     147      147 
   ILE  M 148   1.000   0.999   1.000   0.915                             148      148 
   LEU  M 149   1.000   0.999   1.000   1.000                             149      149 
   ASP  M 150   0.999   0.998   0.994   0.905                             150      150 
   LEU  M 151   0.999   0.998   0.850   0.859                             151      151 
   LEU  M 152   0.999   0.999   1.000   0.999                             152      152 
   ALA  M 153   0.999   1.000                                             153      153 
   GLN  M 154   0.997   0.992   0.999   0.998   0.884                     154      154 
   GLY  M 155   0.992   0.988                                             155      155 
   GLU  M 156   0.998   0.999   0.921   0.997   0.808                     156      156 
   ARG  M 157   0.999   1.000   1.000   0.936   1.000   1.000   1.000     157      157 
   ALA  M 158   0.999   0.999                                             158      158 
   VAL  M 159   1.000   1.000   1.000                                     159      159 
   GLU  M 160   1.000   1.000   0.863   0.999   0.981                     160      160 
   ALA  M 161   1.000   1.000                                             161      161 
   ILE  M 162   1.000   1.000   1.000   1.000                             162      162 
   ALA  M 163   1.000   0.999                                             163      163 
   THR  M 164   1.000   1.000   1.000                                     164      164 
   ALA  M 165   1.000   1.000                                             165      165 
   THR  M 166   0.999   0.998   1.000                                     166      166 
   GLY  M 167   0.999   0.999                                             167      167 
   MET  M 168   0.995   0.996   0.505   0.996   0.269                     168      168 
   ASN  M 169   0.998   0.996   0.815   0.920                             169      169 
   LEU  M 170   0.999   0.998   0.836   0.845                             170      170 
   THR  M 171   0.998   0.998   0.916                                     171      171 
   THR  M 172   1.000   0.999   1.000                                     172      172 
   ALA  M 173   1.000   0.999                                             173      173 
   SER  M 174   0.999   0.996   0.364                                     174      174 
   ALA  M 175   1.000   1.000                                             175      175 
   ASN  M 176   0.999   0.999   0.998   0.969                             176      176 
   LEU  M 177   1.000   1.000   1.000   1.000                             177      177 
   GLN  M 178   1.000   0.999   0.638   0.377   0.853                     178      178 
   ALA  M 179   1.000   1.000                                             179      179 
   LEU  M 180   0.999   0.993   0.999   1.000                             180      180 
   LYS  M 181   0.997   0.996   0.999   0.995   0.640   0.499             181      181 
   SER  M 182   0.999   0.995   0.401                                     182      182 
   GLY  M 183   0.941   0.970                                             183      183 
   GLY  M 184   0.780   0.985                                                        
   LEU  M 185   0.780   0.914   0.958   0.432                                        
   VAL  M 186   0.999   0.999   1.000                                     186      186 
   GLU  M 187   0.996   0.998   0.755   0.874   0.927                     187      187 
   ALA  M 188   0.999   1.000                                             188      188 
   ARG  M 189   0.993   0.995   0.571   0.584   0.785   0.583   1.000     189      189 
   ARG  M 190   0.996   0.993   0.656   0.926   0.853   0.940   1.000     190      190 
   GLU  M 191   0.998   0.998   0.597   0.862   0.957                     191      191 
   GLY  M 192   1.000   1.000                                             192      192 
   THR  M 193   0.999   0.999   1.000                                     193      193 
   ARG  M 194   0.996   0.998   0.818   0.998   0.605   0.559   1.000     194      194 
   GLN  M 195   0.998   0.994   0.681   0.996   0.758                     195      195 
   TYR  M 196   0.996   0.999   0.997   0.887                             196      196 
   TYR  M 197   0.999   0.999   0.999   1.000                             197      197 
   ARG  M 198   1.000   0.998   0.997   0.742   0.930   0.611   1.000     198      198 
   ILE  M 199   0.997   0.999   0.999   0.701                             199      199 
   ALA  M 200   0.982   0.876                                                      200 
   GLY  M 201   0.910   0.987                                             201      201 
   GLU  M 202   1.000   0.998   0.928   0.999   0.946                     202      202 
   ASP  M 203   1.000   0.999   0.999   0.982                             203      203 
   VAL  M 204   1.000   1.000   1.000                                     204      204 
   ALA  M 205   1.000   0.999                                             205      205 
   ARG  M 206   0.999   0.999   1.000   0.999   0.999   0.792   1.000     206      206 
   LEU  M 207   0.999   0.997   0.998   0.854                             207      207 
   PHE  M 208   0.999   1.000   0.997   0.999                             208      208 
   ALA  M 209   1.000   1.000                                             209      209 
   LEU  M 210   0.999   0.999   1.000   1.000                             210      210 
   VAL  M 211   0.999   0.997   0.873                                     211      211 
   GLN  M 212   1.000   0.999   0.880   0.999   0.799                     212      212 
   VAL  M 213   1.000   0.998   1.000                                     213      213 
   VAL  M 214   0.998   0.995   0.811                                     214      214 
   ALA  M 215   0.999   0.999                                             215      215 
   ASP  M 216   0.997   0.994   0.874   0.899                             216      216 
   GLU  M 217   0.995   0.997   0.856   0.465   0.900                     217      217 
   HIS  M 218   0.993   0.993   0.928   0.628                             218      218 
   LEU  M 219   0.975   0.948   0.546   0.539                             219      219 
   GLU  M 220   0.608   0.291   0.503   0.917   0.933                                
   HIS  M 221   0.604   0.427   0.577   0.228                                        
   HIS  M 222   0.779   0.318   0.583   0.146                                        
   HIS  M 223   0.600   0.327   0.573   0.622                                        
   HIS  M 224   0.629   0.317   0.371   0.360                                        
   HIS  M 225   0.567   0.473   0.597   0.600                                        
   HIS  M 226   0.529           0.783   0.744                                        

JPEG image of S(phi)~Residue_number Plot

phi_plot.jpg

JPEG image of S(psi)~Residue_number Plot

psi_plot.jpg

Table of Backbone and Heavy Atom RMSD

Text report of backbone and heavy atom RMSD for ordered regions

 > 
 > Kabsch RMSD data for family `MBR242E_R3Cons_em_bcr3.pdb' 
 > 
 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model  1 is: 1.000
 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model  2 is: 0.828
 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model  3 is: 0.861
 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model  4 is: 0.872
 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model  5 is: 0.692
 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model  6 is: 0.494
 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model  7 is: 0.472 (*)
 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model  8 is: 0.728
 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model  9 is: 0.750
 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 10 is: 0.630
 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 11 is: 0.809
 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 12 is: 0.836
 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 13 is: 0.666
 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 14 is: 0.660
 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 15 is: 0.711
 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 16 is: 0.793
 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 17 is: 0.895
 > Kabsch RMSD of backbone atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 18 is: 0.664
 >
 > Kabsch RMSD statistics for 18 structures: 
 > Mean RMSD using as refer. str. `average' for res.[7..22],[26..65],[68..81],[83..101],[125..140],[144..183],[186..199],[201..219], is: 0.742 
 > Range of RMSD values to reference struct. is 0.472 to 1.000 


 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model  1 is: 1.302
 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model  2 is: 1.147
 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model  3 is: 1.144
 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model  4 is: 1.193
 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model  5 is: 0.980
 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model  6 is: 0.839 (*)
 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model  7 is: 0.855
 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model  8 is: 1.051
 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model  9 is: 1.041
 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 10 is: 0.993
 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 11 is: 1.113
 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 12 is: 1.023
 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 13 is: 0.962
 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 14 is: 0.986
 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 15 is: 0.960
 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 16 is: 1.263
 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 17 is: 1.178
 > Kabsch RMSD of heavy atoms in res. M[7..22],M[26..65],M[68..81],M[83..101],M[125..140],M[144..183],M[186..199],M[201..219],for model 18 is: 1.040
 >
 > Kabsch RMSD statistics for 18 structures: 
 > Mean RMSD using as refer. str. `average' for res.[7..22],[26..65],[68..81],[83..101],[125..140],[144..183],[186..199],[201..219], is: 1.059 
 > Range of RMSD values to reference struct. is 0.839 to 1.302 

Text report of backbone RMSD for entire protein

 > Kabsch RMSD of backb atoms in res. *[1..226],for model  1 is: 2.800
 > Kabsch RMSD of backb atoms in res. *[1..226],for model  2 is: 2.826
 > Kabsch RMSD of backb atoms in res. *[1..226],for model  3 is: 2.679
 > Kabsch RMSD of backb atoms in res. *[1..226],for model  4 is: 3.251
 > Kabsch RMSD of backb atoms in res. *[1..226],for model  5 is: 3.369
 > Kabsch RMSD of backb atoms in res. *[1..226],for model  6 is: 2.964
 > Kabsch RMSD of backb atoms in res. *[1..226],for model  7 is: 3.435
 > Kabsch RMSD of backb atoms in res. *[1..226],for model  8 is: 2.513
 > Kabsch RMSD of backb atoms in res. *[1..226],for model  9 is: 2.132
 > Kabsch RMSD of backb atoms in res. *[1..226],for model 10 is: 2.712
 > Kabsch RMSD of backb atoms in res. *[1..226],for model 11 is: 2.406
 > Kabsch RMSD of backb atoms in res. *[1..226],for model 12 is: 2.045 (*)
 > Kabsch RMSD of backb atoms in res. *[1..226],for model 13 is: 2.134
 > Kabsch RMSD of backb atoms in res. *[1..226],for model 14 is: 2.152
 > Kabsch RMSD of backb atoms in res. *[1..226],for model 15 is: 3.339
 > Kabsch RMSD of backb atoms in res. *[1..226],for model 16 is: 3.764
 > Kabsch RMSD of backb atoms in res. *[1..226],for model 17 is: 2.092
 > Kabsch RMSD of backb atoms in res. *[1..226],for model 18 is: 3.045
 >
 > Kabsch RMSD statistics for 18 structures: 
 > Mean RMSD using as refer. str. `average' for res.[1..226], is: 2.759 
 > Range of RMSD values to reference struct. is 2.045 to 3.764 

Text report of heavy atom RMSD for entire protein

 > Kabsch RMSD of heavy atoms in res. *[1..226],for model  1 is: 3.097
 > Kabsch RMSD of heavy atoms in res. *[1..226],for model  2 is: 3.268
 > Kabsch RMSD of heavy atoms in res. *[1..226],for model  3 is: 3.066
 > Kabsch RMSD of heavy atoms in res. *[1..226],for model  4 is: 3.828
 > Kabsch RMSD of heavy atoms in res. *[1..226],for model  5 is: 3.574
 > Kabsch RMSD of heavy atoms in res. *[1..226],for model  6 is: 3.467
 > Kabsch RMSD of heavy atoms in res. *[1..226],for model  7 is: 4.025
 > Kabsch RMSD of heavy atoms in res. *[1..226],for model  8 is: 3.109
 > Kabsch RMSD of heavy atoms in res. *[1..226],for model  9 is: 2.578
 > Kabsch RMSD of heavy atoms in res. *[1..226],for model 10 is: 3.159
 > Kabsch RMSD of heavy atoms in res. *[1..226],for model 11 is: 2.846
 > Kabsch RMSD of heavy atoms in res. *[1..226],for model 12 is: 2.615
 > Kabsch RMSD of heavy atoms in res. *[1..226],for model 13 is: 2.487
 > Kabsch RMSD of heavy atoms in res. *[1..226],for model 14 is: 2.467 (*)
 > Kabsch RMSD of heavy atoms in res. *[1..226],for model 15 is: 3.744
 > Kabsch RMSD of heavy atoms in res. *[1..226],for model 16 is: 3.988
 > Kabsch RMSD of heavy atoms in res. *[1..226],for model 17 is: 2.500
 > Kabsch RMSD of heavy atoms in res. *[1..226],for model 18 is: 3.381
 >
 > Kabsch RMSD statistics for 18 structures: 
 > Mean RMSD using as refer. str. `average' for res.[1..226], is: 3.178 
 > Range of RMSD values to reference struct. is 2.467 to 4.025 

Summary of heavy atom and backbone RMSDs over the whole protein and ordered residues

RMSD Values
	all residues	ordered residues	selected residues
All backbone atoms	2.8	0.7	0.7
All heavy atoms	3.2	1.1	1.1

Contact Map (constraints list and 3D Coordinates)

JPEG image of Contact Map for Constraints

MBR242E_R3Cons_em_bcr3.upl.jpg

JPEG image of Contact Map for Coordinates

MBR242E_R3Cons_em_bcr3.pdb.jpg

Output from PROCHECK

Ramachandran Plot for all models

Text summary of Ramachandran Plot


 +----------<<<  P  R  O  C  H  E  C  K     S  U  M  M  A  R  Y  >>>----------+
 |                                                                            |
 | MBR242E_R3Cons_em_bcr3_018.rin   0.0                         3258 residues |
 |                                                                            |
 | Ramachandran plot:   99.7% core    0.3% allow    0.0% gener    0.0% disall |
 |                                                                            |
+| All Ramachandrans:    2 labelled residues (out of3258)                     |
 | Chi1-chi2 plots:      0 labelled residues (out of1872)                     |

JPEG image for all model Ramachandran Plot

MBR242E_R3Cons_em_bcr3_01_ramachand.jpg

Residue Properties for all models

JPEG for all model Residue Properties - page $num_n

MBR242E_R3Cons_em_bcr3_10_residprop-0.jpg

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Model Secondary Structures from Procheck

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Ramachandran Plots for each residue

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Ramachandran analysis for each residue from Molprobity

Chi1-Chi2 Plots for each residue

JPEG for residue Chi1-Chi2 Plots - page $num_n

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Procheck G-factors for phi-psi for each residue

JPEG image for residue phi-psi G-factors

phipsi_gfactor.jpg

Table of Procheck G-factors for phi-psi for ordered residues

#phipsi_gfactor
#Residue\Model	average
7	0.77
8	0.91
9	0.80
10	0.91
11	1.01
12	0.62
13	1.17
14	0.86
15	0.68
16	0.88
17	1.00
18	0.75
19	1.01
20	1.11
21	0.46
22	-0.58
26	0.28
27	0.66
28	0.73
29	1.07
30	0.98
31	0.98
32	1.22
33	0.84
34	0.02
35	0.33
36	-0.34
37	-0.71
38	-0.35
39	-0.10
40	-0.40
41	0.24
42	0.86
43	0.98
44	0.91
45	0.70
46	1.17
47	0.46
48	-0.01
49	0.72
50	-1.24
51	-0.63
52	1.06
53	1.05
54	1.18
55	0.90
56	1.04
57	0.93
58	1.15
59	1.01
60	1.11
61	0.98
62	0.95
63	1.04
64	1.04
65	-0.17
68	-0.34
69	-0.49
70	-0.83
71	-0.54
72	-0.46
73	-1.06
74	-0.36
75	0.00
76	-0.21
77	-0.23
78	0.35
79	0.45
80	-0.46
81	-0.80
82	0.14
83	-0.27
84	1.03
85	1.19
86	0.84
87	0.94
88	0.69
89	0.91
90	1.20
91	0.98
92	0.84
93	0.39
94	1.18
95	1.00
96	0.93
97	0.93
98	1.08
99	0.71
100	0.09
101	0.31
125	0.77
126	0.91
127	0.80
128	0.91
129	1.01
130	0.62
131	1.17
132	0.92
133	0.69
134	0.88
135	1.00
136	0.73
137	1.01
138	1.11
139	0.46
140	-0.58
144	0.28
145	0.66
146	0.73
147	1.09
148	0.98
149	0.98
150	1.22
151	0.86
152	-0.01
153	0.33
154	-0.34
155	-0.71
156	-0.35
157	-0.09
158	-0.40
159	0.18
160	0.86
161	0.98
162	0.91
163	0.71
164	1.17
165	0.46
166	-0.01
167	0.72
168	-1.24
169	-0.63
170	1.06
171	1.05
172	1.18
173	0.90
174	1.04
175	0.93
176	1.15
177	1.01
178	1.11
179	0.98
180	0.95
181	1.04
182	1.04
183	-0.17
184	-0.33
185	-1.15
186	-0.34
187	-0.49
188	-0.83
189	-0.53
190	-0.46
191	-1.06
192	-0.36
193	0.00
194	-0.21
195	-0.23
196	0.35
197	0.45
198	-0.46
199	-0.80
200	0.14
201	-0.27
202	1.03
203	1.20
204	0.84
205	0.94
206	0.69
207	0.91
208	1.20
209	0.99
210	0.84
211	0.34
212	1.18
213	1.00
214	0.93
215	0.93
216	1.08
217	0.71
218	0.11
#Reported_Model_Average	0.489
#Overall_Average_Reported	0.489

Procheck G-factors for all dihedral angles for each residue

JPEG image for residue all dihedral G-factors

all_gfactor.jpg

Table of Procheck G-factors for all dihedrals for ordered residues

#alldih_gfactor
#Residue\Model	average
7	0.92
8	0.84
9	0.80
10	0.91
11	0.71
12	0.76
13	1.15
14	0.52
15	0.55
16	0.88
17	0.91
18	0.72
19	1.01
20	0.99
21	0.46
22	0.16
26	0.50
27	0.73
28	0.76
29	1.00
30	0.91
31	0.94
32	0.22
33	0.69
34	0.45
35	0.33
36	0.36
37	-0.71
38	0.19
39	0.15
40	-0.40
41	0.48
42	1.02
43	0.98
44	0.90
45	0.70
46	0.94
47	0.46
48	0.18
49	0.72
50	-0.34
51	0.22
52	0.70
53	0.88
54	0.79
55	0.90
56	0.83
57	0.93
58	1.07
59	0.69
60	0.80
61	0.98
62	0.89
63	0.88
64	0.95
65	-0.17
68	-0.48
69	0.14
70	-0.83
71	-0.03
72	0.20
73	-0.08
74	-0.36
75	0.29
76	0.37
77	0.28
78	0.28
79	0.26
80	-0.53
81	-0.09
82	0.14
83	-0.27
84	0.92
85	1.13
86	0.73
87	0.94
88	0.92
89	0.55
90	0.91
91	0.98
92	0.60
93	-0.22
94	1.06
95	0.88
96	0.71
97	0.93
98	0.47
99	0.68
100	0.26
101	0.51
125	0.92
126	0.84
127	0.80
128	0.91
129	0.71
130	0.76
131	1.15
132	0.55
133	0.54
134	0.88
135	0.91
136	0.70
137	1.01
138	0.99
139	0.46
140	0.16
144	0.50
145	0.73
146	0.76
147	1.01
148	0.91
149	0.94
150	0.22
151	0.70
152	0.44
153	0.33
154	0.37
155	-0.71
156	0.19
157	0.15
158	-0.40
159	0.45
160	1.02
161	0.98
162	0.90
163	0.71
164	0.90
165	0.46
166	0.19
167	0.72
168	-0.34
169	0.22
170	0.70
171	0.87
172	0.77
173	0.90
174	0.79
175	0.93
176	1.07
177	0.69
178	0.80
179	0.98
180	0.89
181	0.88
182	0.95
183	-0.17
184	-0.33
185	-1.14
186	-0.44
187	0.14
188	-0.83
189	-0.02
190	0.20
191	-0.08
192	-0.36
193	0.28
194	0.37
195	0.28
196	0.28
197	0.26
198	-0.53
199	-0.09
200	0.14
201	-0.27
202	0.93
203	1.14
204	0.74
205	0.94
206	0.92
207	0.55
208	0.91
209	0.99
210	0.60
211	-0.26
212	1.06
213	0.90
214	0.70
215	0.93
216	0.47
217	0.68
218	0.27
#Reported_Model_Average	0.520
#Overall_Average_Reported	0.520

Output from Verify3D

Verify3D Score over a window of $winsize_s residues

JPEG image for Verify3D Score

profile3d_plot.jpg

Table of Verify3D scores for ordered residues across all models

#verify3d
#Residue\Model	1	2	3	4	5	6	7	8	9	10	11	12	13	14	15	16	17	18
7	0.24	-0.41	-0.41	-0.41	-0.41	0.71	0.24	-0.41	-0.41	-0.41	-0.41	-0.41	-0.41	-0.41	0.24	0.24	-0.41	-0.41
8	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.08	0.47	0.47	0.47	0.47	0.47
9	-0.25	-0.25	0.49	0.14	-0.25	0.14	-0.25	-0.25	0.14	-0.25	-0.25	0.14	-0.25	0.14	0.14	0.14	0.14	-0.25
10	0.49	0.14	0.14	0.14	-0.25	-0.25	0.49	0.14	0.14	0.14	0.14	0.14	0.14	0.14	-0.25	-0.25	0.14	0.14
11	0.29	0.29	0.29	0.29	0.29	0.77	0.29	0.29	0.29	0.29	-0.68	0.29	0.29	0.77	-0.33	0.77	0.29	-0.33
12	0.77	1.06	1.06	0.77	0.77	0.77	0.77	0.77	0.77	0.77	1.06	0.77	0.77	0.77	0.77	0.77	0.77	0.77
13	0.51	0.51	0.51	0.23	0.51	0.23	0.51	0.51	0.51	0.23	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51
14	-0.87	0.10	0.10	-0.57	-0.87	-0.87	-0.87	-0.84	-0.87	-0.87	-0.87	-0.87	-0.87	-0.57	-0.87	0.10	0.10	0.10
15	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
16	0.49	-0.25	-0.25	0.14	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	0.49	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25
17	0.24	0.24	0.24	0.24	0.71	0.24	0.71	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24
18	1.00	1.00	1.00	0.66	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	0.66
19	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
20	0.47	0.47	0.47	0.47	0.47	-0.10	0.47	0.47	0.47	0.47	0.47	0.47	-0.10	0.47	0.47	0.47	0.47	0.47
21	0.49	0.49	0.49	-0.25	0.49	-0.25	0.49	0.49	0.49	0.49	0.49	0.49	0.49	-0.25	-0.25	-0.25	0.49	0.49
22	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
26	0.24	0.24	0.71	-0.41	0.24	-0.41	0.24	0.24	-0.41	0.24	0.71	0.24	0.24	-0.41	0.24	0.24	0.24	0.24
27	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.24	0.71	0.71	0.71	0.71
28	0.77	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	0.77	1.06	1.06	1.06	1.06
29	0.10	0.10	0.10	-0.57	-0.57	0.25	0.25	-0.57	0.25	-0.87	-0.57	-0.57	0.10	0.25	0.25	-0.57	-0.57	-0.87
30	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93
31	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
32	0.51	0.51	0.34	0.51	0.51	0.51	0.51	0.34	0.51	0.51	0.51	0.51	0.51	0.34	0.51	0.51	0.51	0.34
33	0.77	0.29	0.29	0.29	0.29	0.77	0.29	0.29	0.29	0.77	0.29	0.29	0.77	0.29	0.29	0.29	0.29	1.06
34	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
35	0.49	-0.25	-0.25	0.49	0.49	0.49	0.14	0.49	0.49	0.14	0.14	0.49	0.49	0.49	0.49	0.14	-0.25	0.14
36	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25
37	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
38	0.28	-0.59	0.28	-0.59	-0.59	-0.59	0.28	0.28	0.28	-0.59	-0.59	0.28	-0.46	-0.59	-0.59	-0.46	0.28	-0.59
39	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.24	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71
40	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49
41	1.00	-0.09	1.00	-0.09	-0.09	-0.09	1.00	0.66	0.66	-0.09	1.00	-0.40	1.00	1.00	-0.09	1.00	-0.09	1.00
42	-0.59	0.28	-0.59	0.28	0.28	-0.59	-0.59	-0.59	-0.59	-0.59	0.28	-0.59	0.28	-0.59	-0.59	0.28	-0.59	-0.59
43	0.49	0.49	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.49	0.14	0.14	0.14	0.14	-0.25	0.14	0.49	0.14
44	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93
45	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49
46	0.08	0.08	0.55	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08
47	0.49	0.49	0.14	0.14	0.14	0.49	-0.25	0.49	0.14	0.49	0.14	0.14	0.49	0.14	-0.25	0.14	-0.25	0.49
48	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55
49	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
50	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.23	1.00	0.23	1.00	0.23	0.23	0.23	0.23	1.00	0.23
51	0.41	0.41	0.41	0.41	0.41	0.41	0.51	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41
52	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68
53	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08
54	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08
55	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49
56	0.59	0.59	0.59	0.59	0.59	0.59	0.17	0.59	0.59	0.59	0.59	0.17	0.59	0.17	0.34	0.17	0.59	0.17
57	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14
58	-0.26	-0.26	-0.26	-0.26	-0.56	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26
59	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
60	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	-0.03	0.25	0.25
61	-0.25	0.14	-0.25	0.14	-0.25	-0.25	0.14	-0.25	-0.25	-0.25	0.14	0.14	-0.25	0.14	-0.25	-0.25	-0.25	-0.25
62	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
63	0.47	0.08	0.08	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.08	0.08	0.47	0.47	0.47	0.47	0.08
64	0.34	0.34	0.34	0.17	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34
65	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
68	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
69	0.28	-0.46	0.28	0.28	0.28	0.28	0.28	-0.46	-0.46	0.28	0.28	0.28	-0.46	0.28	0.28	0.28	0.28	-0.46
70	0.49	-0.25	-0.25	0.49	-0.25	0.49	0.49	0.49	-0.25	0.49	0.49	0.49	-0.25	0.49	-0.25	0.49	0.49	0.49
71	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.71	0.24	0.24	0.24	0.24	0.24	-0.41	0.24	0.24	0.24	0.71
72	-0.41	-0.41	0.24	0.24	-0.41	-0.41	0.24	0.24	0.24	-0.41	0.24	0.24	-0.41	-0.41	-0.41	-0.41	0.24	0.24
73	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.04	0.28	0.28	0.28	0.04	0.04	0.28	0.28	0.28
74	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
75	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08
76	0.24	0.24	0.24	0.24	0.24	0.71	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24
77	0.25	0.25	0.25	0.25	0.25	0.10	0.25	0.25	0.25	0.10	0.25	0.25	0.25	0.25	0.25	0.25	-0.57	0.25
78	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25
79	0.52	1.14	1.14	1.14	1.14	1.14	1.14	0.52	1.14	1.14	1.14	1.14	0.52	0.52	1.14	0.52	1.14	0.52
80	0.71	0.71	0.71	0.24	0.24	0.71	0.24	0.71	0.71	0.71	0.71	0.71	0.71	0.24	0.71	0.24	0.24	0.24
81	0.81	0.93	0.81	0.81	0.81	0.81	0.81	0.81	0.81	0.81	0.81	0.81	0.81	0.81	0.81	0.81	0.81	0.81
82	0.49	-0.25	0.49	0.49	-0.25	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49
83	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
84	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.04	0.28	0.28	0.28	0.28	0.28
85	0.23	0.34	0.34	0.34	0.34	0.34	0.51	0.34	0.34	0.51	0.34	0.34	0.34	0.34	0.51	0.51	0.34	0.34
86	0.66	0.66	0.66	0.66	1.00	1.00	0.66	0.66	0.66	0.66	1.00	0.66	0.66	0.66	-0.40	0.66	0.66	0.66
87	0.49	0.49	0.14	0.49	0.49	0.49	0.49	0.14	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49
88	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24
89	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
90	1.40	1.40	1.40	1.40	1.04	1.40	1.40	1.04	1.40	1.40	1.40	1.04	1.40	1.40	1.04	1.04	1.04	1.04
91	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14
92	0.77	0.77	0.77	0.77	0.77	-0.33	0.77	0.77	-0.33	0.77	0.77	0.77	0.77	0.77	0.77	0.77	0.77	-0.33
93	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
94	-0.57	-0.87	-0.57	-0.87	-0.57	-0.57	-0.87	-0.57	-0.87	-0.87	-0.57	-0.57	-0.57	-0.87	-0.87	-0.84	-0.87	-0.87
95	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74
96	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	0.66	1.00	1.00	1.00	1.00	1.00
97	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49
98	0.51	0.34	0.51	0.51	0.23	0.51	0.51	0.51	0.51	0.34	0.34	0.51	0.23	0.51	0.34	0.34	0.51	0.51
99	0.28	-0.46	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28
100	0.20	0.54	1.04	1.04	0.54	1.04	0.20	-0.61	1.04	1.04	1.04	1.04	1.04	0.54	1.04	1.04	1.04	0.54
101	0.29	-0.68	-0.68	0.29	0.29	0.29	0.29	-0.68	-0.68	-0.68	-0.68	-0.68	-0.33	-0.68	0.29	0.29	0.29	-0.68
125	0.24	-0.41	-0.41	-0.41	-0.41	0.24	0.24	-0.41	-0.41	-0.41	-0.41	-0.41	-0.41	-0.41	-0.41	0.24	-0.41	-0.41
126	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.08	0.47	0.47	0.08	0.47	0.47	0.47	0.47	0.47
127	0.14	-0.25	-0.25	-0.25	0.14	0.14	-0.25	0.49	0.14	-0.25	-0.25	0.14	-0.25	0.14	0.14	0.14	0.14	-0.25
128	0.49	0.14	0.14	0.14	-0.25	-0.25	-0.25	0.14	0.14	0.14	0.14	0.14	0.14	0.14	-0.25	-0.25	0.14	0.14
129	0.29	0.29	-0.33	0.29	0.29	0.77	0.29	0.29	-0.33	0.29	0.29	0.29	0.29	0.77	0.29	0.77	0.29	0.29
130	0.77	1.06	1.06	1.06	0.77	0.77	0.77	0.77	0.77	0.77	1.06	0.77	0.77	0.77	0.77	0.77	0.77	0.77
131	0.51	0.51	0.51	0.23	0.51	0.23	0.51	0.51	0.23	0.23	0.51	0.51	0.51	0.51	0.51	0.51	0.23	0.51
132	-0.57	0.10	0.10	-0.87	-0.87	0.10	0.10	-0.87	-0.87	-0.87	-0.87	0.10	0.10	-0.57	-0.87	0.10	0.10	0.10
133	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
134	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	0.49	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25
135	0.24	0.24	0.24	0.24	0.71	0.24	0.71	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24
136	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
137	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
138	0.47	0.47	0.47	-0.10	0.47	0.47	0.47	0.47	0.47	0.47	-0.10	0.47	0.47	0.47	0.47	0.47	0.47	0.47
139	0.49	0.49	0.49	-0.25	0.49	0.49	0.49	-0.25	0.49	0.49	0.49	-0.25	0.49	0.49	-0.25	0.49	0.49	0.49
140	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
144	0.24	0.24	0.71	-0.41	0.24	-0.41	0.24	0.24	-0.41	0.24	0.24	0.24	0.24	-0.41	-0.41	0.24	0.24	0.24
145	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.24	0.71	0.71	0.71	0.71
146	0.77	1.06	1.06	0.77	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	0.77	1.06	1.06	1.06	1.06
147	0.10	0.10	0.10	-0.57	-0.57	0.25	0.25	-0.57	0.25	-0.87	-0.57	0.10	0.10	0.25	0.25	0.25	-0.57	-0.87
148	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93
149	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
150	0.51	0.51	0.34	0.51	0.51	0.51	0.51	0.34	0.51	0.51	0.51	0.51	0.51	0.34	0.51	0.51	0.51	0.51
151	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.77	0.77	0.29	0.29	0.29	0.29	0.77
152	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	0.77	1.06
153	0.49	0.49	0.14	0.49	0.49	0.49	-0.25	0.49	0.49	0.14	-0.25	0.49	0.49	0.49	0.49	0.49	0.49	0.49
154	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25
155	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
156	0.28	-0.59	-0.59	0.28	-0.59	-0.59	0.28	0.28	0.28	-0.59	0.28	0.28	-0.46	0.28	0.28	-0.46	0.28	-0.59
157	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71
158	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49
159	1.00	-0.09	1.00	1.00	0.66	-0.09	1.00	0.66	1.00	-0.09	1.00	-0.09	1.00	0.66	0.66	0.66	0.66	0.66
160	-0.59	0.28	-0.59	0.28	0.28	-0.59	-0.59	0.28	-0.59	-0.59	-0.59	-0.59	0.28	-0.59	-0.59	0.28	-0.59	-0.59
161	0.14	0.49	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.49	0.14	0.49	0.14	0.14	0.14	0.14	0.14	0.14
162	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93
163	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49
164	0.08	0.08	0.55	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08
165	0.14	0.49	0.49	0.49	0.14	0.14	0.14	0.49	0.14	0.49	0.14	0.49	0.49	0.14	0.14	0.14	0.14	0.49
166	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55
167	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
168	0.23	0.23	1.00	0.23	1.00	0.23	0.23	0.23	0.23	0.23	0.23	1.00	0.23	0.23	0.23	0.23	1.00	0.23
169	0.41	0.41	0.41	0.41	0.41	0.41	0.51	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41
170	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68
171	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08
172	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08
173	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49
174	0.59	0.59	0.17	0.59	0.59	0.17	0.59	0.59	0.59	0.59	0.59	0.17	0.59	0.17	0.34	0.59	0.17	0.17
175	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14
176	-0.26	-0.26	-0.26	-0.26	-0.56	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26
177	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
178	0.25	0.25	0.25	0.25	0.25	0.25	0.25	-0.03	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25
179	-0.25	0.14	-0.25	0.14	-0.25	-0.25	0.14	-0.25	-0.25	-0.25	0.14	-0.25	-0.25	0.14	-0.25	-0.25	-0.25	0.14
180	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
181	0.47	0.08	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.08	0.08	0.47	0.47	0.47	0.47	0.08
182	0.34	0.34	0.34	0.17	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34
183	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
184	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
185	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
186	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
187	0.28	0.28	0.28	0.28	0.28	0.28	0.28	-0.46	-0.46	0.28	0.28	0.28	-0.46	0.28	0.28	0.28	0.28	-0.46
188	0.49	-0.25	-0.25	0.49	0.49	0.49	0.49	0.49	-0.25	0.49	0.49	0.49	-0.25	0.49	0.49	0.49	0.49	0.49
189	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.71	0.24	0.24	0.24	0.24	0.24	-0.41	0.24	0.24	-0.41	0.71
190	-0.41	0.24	-0.41	0.24	0.24	-0.41	0.24	0.24	-0.41	0.24	-0.41	-0.41	-0.41	0.24	0.24	0.24	0.24	0.24
191	0.28	0.28	0.04	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.04	0.28	0.28	0.28	0.28
192	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
193	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08
194	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24
195	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25
196	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25
197	0.52	1.14	1.14	0.52	1.14	1.14	1.14	0.52	1.14	1.14	0.52	1.14	1.14	1.14	1.14	1.14	1.14	0.52
198	0.71	0.71	0.71	0.24	0.71	0.71	0.24	0.71	0.71	0.71	0.24	0.71	0.71	0.24	0.71	0.24	0.24	0.24
199	0.81	0.93	0.81	0.81	0.81	0.93	0.81	0.81	0.81	0.81	0.81	0.81	0.81	0.81	0.81	0.81	0.81	0.93
200	0.49	-0.25	0.49	0.49	-0.25	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	-0.25	0.49
201	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
202	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.04	0.28	0.28	0.28	0.28
203	0.34	0.34	0.51	0.34	0.34	0.34	0.51	0.34	0.34	0.34	0.34	0.51	0.34	0.34	0.51	0.34	0.34	0.34
204	0.66	0.66	0.66	0.66	1.00	1.00	0.66	0.66	0.66	0.66	1.00	0.66	0.66	1.00	0.66	0.66	0.66	1.00
205	0.49	0.49	0.49	0.49	0.14	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.14	0.49	0.49	0.14	0.49
206	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24
207	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
208	1.40	1.40	1.04	1.40	1.04	1.40	1.40	1.04	1.40	1.40	1.40	1.04	1.40	1.40	1.04	1.04	1.04	1.40
209	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14
210	0.77	0.77	0.77	0.29	0.77	0.77	0.77	0.77	0.77	0.77	0.29	0.77	0.77	0.77	0.77	0.77	0.77	-0.33
211	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
212	-0.57	-0.87	-0.57	-0.87	-0.57	-0.57	-0.57	-0.57	-0.84	-0.87	-0.57	-0.84	-0.57	-0.87	-0.57	-0.57	-0.57	-0.57
213	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74
214	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	0.66	1.00	0.66	1.00	1.00	1.00	1.00	1.00
215	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49
216	0.51	0.51	0.51	0.51	0.23	0.51	0.51	0.51	0.51	0.51	0.34	0.51	0.23	0.51	0.34	0.51	0.51	0.51
217	0.28	-0.46	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28
218	0.20	0.54	1.04	1.04	0.54	1.04	-1.21	-0.61	1.04	0.20	1.04	1.04	1.04	1.04	-1.21	1.04	1.04	0.54
#Reported_Model_Average	0.477	0.438	0.471	0.442	0.438	0.457	0.471	0.433	0.433	0.433	0.449	0.470	0.444	0.430	0.416	0.471	0.452	0.424
#Overall_Average_Reported	0.447

Output from ProsaII

ProsaII Score over a window of $winsize_s residues

JPEG image for ProsaII Score

prosaII_plot.jpg

Table of Verify3D scores for ordered residues across all models

#verify3d
#Residue\Model	1	2	3	4	5	6	7	8	9	10	11	12	13	14	15	16	17	18
7	0.24	-0.41	-0.41	-0.41	-0.41	0.71	0.24	-0.41	-0.41	-0.41	-0.41	-0.41	-0.41	-0.41	0.24	0.24	-0.41	-0.41
8	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.08	0.47	0.47	0.47	0.47	0.47
9	-0.25	-0.25	0.49	0.14	-0.25	0.14	-0.25	-0.25	0.14	-0.25	-0.25	0.14	-0.25	0.14	0.14	0.14	0.14	-0.25
10	0.49	0.14	0.14	0.14	-0.25	-0.25	0.49	0.14	0.14	0.14	0.14	0.14	0.14	0.14	-0.25	-0.25	0.14	0.14
11	0.29	0.29	0.29	0.29	0.29	0.77	0.29	0.29	0.29	0.29	-0.68	0.29	0.29	0.77	-0.33	0.77	0.29	-0.33
12	0.77	1.06	1.06	0.77	0.77	0.77	0.77	0.77	0.77	0.77	1.06	0.77	0.77	0.77	0.77	0.77	0.77	0.77
13	0.51	0.51	0.51	0.23	0.51	0.23	0.51	0.51	0.51	0.23	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51
14	-0.87	0.10	0.10	-0.57	-0.87	-0.87	-0.87	-0.84	-0.87	-0.87	-0.87	-0.87	-0.87	-0.57	-0.87	0.10	0.10	0.10
15	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
16	0.49	-0.25	-0.25	0.14	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	0.49	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25
17	0.24	0.24	0.24	0.24	0.71	0.24	0.71	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24
18	1.00	1.00	1.00	0.66	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	0.66
19	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
20	0.47	0.47	0.47	0.47	0.47	-0.10	0.47	0.47	0.47	0.47	0.47	0.47	-0.10	0.47	0.47	0.47	0.47	0.47
21	0.49	0.49	0.49	-0.25	0.49	-0.25	0.49	0.49	0.49	0.49	0.49	0.49	0.49	-0.25	-0.25	-0.25	0.49	0.49
22	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
26	0.24	0.24	0.71	-0.41	0.24	-0.41	0.24	0.24	-0.41	0.24	0.71	0.24	0.24	-0.41	0.24	0.24	0.24	0.24
27	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.24	0.71	0.71	0.71	0.71
28	0.77	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	0.77	1.06	1.06	1.06	1.06
29	0.10	0.10	0.10	-0.57	-0.57	0.25	0.25	-0.57	0.25	-0.87	-0.57	-0.57	0.10	0.25	0.25	-0.57	-0.57	-0.87
30	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93
31	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
32	0.51	0.51	0.34	0.51	0.51	0.51	0.51	0.34	0.51	0.51	0.51	0.51	0.51	0.34	0.51	0.51	0.51	0.34
33	0.77	0.29	0.29	0.29	0.29	0.77	0.29	0.29	0.29	0.77	0.29	0.29	0.77	0.29	0.29	0.29	0.29	1.06
34	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
35	0.49	-0.25	-0.25	0.49	0.49	0.49	0.14	0.49	0.49	0.14	0.14	0.49	0.49	0.49	0.49	0.14	-0.25	0.14
36	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25
37	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
38	0.28	-0.59	0.28	-0.59	-0.59	-0.59	0.28	0.28	0.28	-0.59	-0.59	0.28	-0.46	-0.59	-0.59	-0.46	0.28	-0.59
39	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.24	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71
40	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49
41	1.00	-0.09	1.00	-0.09	-0.09	-0.09	1.00	0.66	0.66	-0.09	1.00	-0.40	1.00	1.00	-0.09	1.00	-0.09	1.00
42	-0.59	0.28	-0.59	0.28	0.28	-0.59	-0.59	-0.59	-0.59	-0.59	0.28	-0.59	0.28	-0.59	-0.59	0.28	-0.59	-0.59
43	0.49	0.49	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.49	0.14	0.14	0.14	0.14	-0.25	0.14	0.49	0.14
44	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93
45	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49
46	0.08	0.08	0.55	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08
47	0.49	0.49	0.14	0.14	0.14	0.49	-0.25	0.49	0.14	0.49	0.14	0.14	0.49	0.14	-0.25	0.14	-0.25	0.49
48	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55
49	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
50	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.23	1.00	0.23	1.00	0.23	0.23	0.23	0.23	1.00	0.23
51	0.41	0.41	0.41	0.41	0.41	0.41	0.51	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41
52	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68
53	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08
54	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08
55	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49
56	0.59	0.59	0.59	0.59	0.59	0.59	0.17	0.59	0.59	0.59	0.59	0.17	0.59	0.17	0.34	0.17	0.59	0.17
57	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14
58	-0.26	-0.26	-0.26	-0.26	-0.56	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26
59	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
60	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	-0.03	0.25	0.25
61	-0.25	0.14	-0.25	0.14	-0.25	-0.25	0.14	-0.25	-0.25	-0.25	0.14	0.14	-0.25	0.14	-0.25	-0.25	-0.25	-0.25
62	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
63	0.47	0.08	0.08	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.08	0.08	0.47	0.47	0.47	0.47	0.08
64	0.34	0.34	0.34	0.17	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34
65	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
68	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
69	0.28	-0.46	0.28	0.28	0.28	0.28	0.28	-0.46	-0.46	0.28	0.28	0.28	-0.46	0.28	0.28	0.28	0.28	-0.46
70	0.49	-0.25	-0.25	0.49	-0.25	0.49	0.49	0.49	-0.25	0.49	0.49	0.49	-0.25	0.49	-0.25	0.49	0.49	0.49
71	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.71	0.24	0.24	0.24	0.24	0.24	-0.41	0.24	0.24	0.24	0.71
72	-0.41	-0.41	0.24	0.24	-0.41	-0.41	0.24	0.24	0.24	-0.41	0.24	0.24	-0.41	-0.41	-0.41	-0.41	0.24	0.24
73	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.04	0.28	0.28	0.28	0.04	0.04	0.28	0.28	0.28
74	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
75	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08
76	0.24	0.24	0.24	0.24	0.24	0.71	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24
77	0.25	0.25	0.25	0.25	0.25	0.10	0.25	0.25	0.25	0.10	0.25	0.25	0.25	0.25	0.25	0.25	-0.57	0.25
78	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25
79	0.52	1.14	1.14	1.14	1.14	1.14	1.14	0.52	1.14	1.14	1.14	1.14	0.52	0.52	1.14	0.52	1.14	0.52
80	0.71	0.71	0.71	0.24	0.24	0.71	0.24	0.71	0.71	0.71	0.71	0.71	0.71	0.24	0.71	0.24	0.24	0.24
81	0.81	0.93	0.81	0.81	0.81	0.81	0.81	0.81	0.81	0.81	0.81	0.81	0.81	0.81	0.81	0.81	0.81	0.81
82	0.49	-0.25	0.49	0.49	-0.25	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49
83	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
84	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.04	0.28	0.28	0.28	0.28	0.28
85	0.23	0.34	0.34	0.34	0.34	0.34	0.51	0.34	0.34	0.51	0.34	0.34	0.34	0.34	0.51	0.51	0.34	0.34
86	0.66	0.66	0.66	0.66	1.00	1.00	0.66	0.66	0.66	0.66	1.00	0.66	0.66	0.66	-0.40	0.66	0.66	0.66
87	0.49	0.49	0.14	0.49	0.49	0.49	0.49	0.14	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49
88	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24
89	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
90	1.40	1.40	1.40	1.40	1.04	1.40	1.40	1.04	1.40	1.40	1.40	1.04	1.40	1.40	1.04	1.04	1.04	1.04
91	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14
92	0.77	0.77	0.77	0.77	0.77	-0.33	0.77	0.77	-0.33	0.77	0.77	0.77	0.77	0.77	0.77	0.77	0.77	-0.33
93	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
94	-0.57	-0.87	-0.57	-0.87	-0.57	-0.57	-0.87	-0.57	-0.87	-0.87	-0.57	-0.57	-0.57	-0.87	-0.87	-0.84	-0.87	-0.87
95	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74
96	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	0.66	1.00	1.00	1.00	1.00	1.00
97	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49
98	0.51	0.34	0.51	0.51	0.23	0.51	0.51	0.51	0.51	0.34	0.34	0.51	0.23	0.51	0.34	0.34	0.51	0.51
99	0.28	-0.46	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28
100	0.20	0.54	1.04	1.04	0.54	1.04	0.20	-0.61	1.04	1.04	1.04	1.04	1.04	0.54	1.04	1.04	1.04	0.54
101	0.29	-0.68	-0.68	0.29	0.29	0.29	0.29	-0.68	-0.68	-0.68	-0.68	-0.68	-0.33	-0.68	0.29	0.29	0.29	-0.68
125	0.24	-0.41	-0.41	-0.41	-0.41	0.24	0.24	-0.41	-0.41	-0.41	-0.41	-0.41	-0.41	-0.41	-0.41	0.24	-0.41	-0.41
126	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.08	0.47	0.47	0.08	0.47	0.47	0.47	0.47	0.47
127	0.14	-0.25	-0.25	-0.25	0.14	0.14	-0.25	0.49	0.14	-0.25	-0.25	0.14	-0.25	0.14	0.14	0.14	0.14	-0.25
128	0.49	0.14	0.14	0.14	-0.25	-0.25	-0.25	0.14	0.14	0.14	0.14	0.14	0.14	0.14	-0.25	-0.25	0.14	0.14
129	0.29	0.29	-0.33	0.29	0.29	0.77	0.29	0.29	-0.33	0.29	0.29	0.29	0.29	0.77	0.29	0.77	0.29	0.29
130	0.77	1.06	1.06	1.06	0.77	0.77	0.77	0.77	0.77	0.77	1.06	0.77	0.77	0.77	0.77	0.77	0.77	0.77
131	0.51	0.51	0.51	0.23	0.51	0.23	0.51	0.51	0.23	0.23	0.51	0.51	0.51	0.51	0.51	0.51	0.23	0.51
132	-0.57	0.10	0.10	-0.87	-0.87	0.10	0.10	-0.87	-0.87	-0.87	-0.87	0.10	0.10	-0.57	-0.87	0.10	0.10	0.10
133	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
134	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	0.49	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25
135	0.24	0.24	0.24	0.24	0.71	0.24	0.71	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24
136	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
137	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
138	0.47	0.47	0.47	-0.10	0.47	0.47	0.47	0.47	0.47	0.47	-0.10	0.47	0.47	0.47	0.47	0.47	0.47	0.47
139	0.49	0.49	0.49	-0.25	0.49	0.49	0.49	-0.25	0.49	0.49	0.49	-0.25	0.49	0.49	-0.25	0.49	0.49	0.49
140	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
144	0.24	0.24	0.71	-0.41	0.24	-0.41	0.24	0.24	-0.41	0.24	0.24	0.24	0.24	-0.41	-0.41	0.24	0.24	0.24
145	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.24	0.71	0.71	0.71	0.71
146	0.77	1.06	1.06	0.77	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	0.77	1.06	1.06	1.06	1.06
147	0.10	0.10	0.10	-0.57	-0.57	0.25	0.25	-0.57	0.25	-0.87	-0.57	0.10	0.10	0.25	0.25	0.25	-0.57	-0.87
148	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93
149	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
150	0.51	0.51	0.34	0.51	0.51	0.51	0.51	0.34	0.51	0.51	0.51	0.51	0.51	0.34	0.51	0.51	0.51	0.51
151	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.77	0.77	0.29	0.29	0.29	0.29	0.77
152	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	0.77	1.06
153	0.49	0.49	0.14	0.49	0.49	0.49	-0.25	0.49	0.49	0.14	-0.25	0.49	0.49	0.49	0.49	0.49	0.49	0.49
154	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25
155	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
156	0.28	-0.59	-0.59	0.28	-0.59	-0.59	0.28	0.28	0.28	-0.59	0.28	0.28	-0.46	0.28	0.28	-0.46	0.28	-0.59
157	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71
158	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49
159	1.00	-0.09	1.00	1.00	0.66	-0.09	1.00	0.66	1.00	-0.09	1.00	-0.09	1.00	0.66	0.66	0.66	0.66	0.66
160	-0.59	0.28	-0.59	0.28	0.28	-0.59	-0.59	0.28	-0.59	-0.59	-0.59	-0.59	0.28	-0.59	-0.59	0.28	-0.59	-0.59
161	0.14	0.49	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.49	0.14	0.49	0.14	0.14	0.14	0.14	0.14	0.14
162	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93	0.93
163	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49
164	0.08	0.08	0.55	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08
165	0.14	0.49	0.49	0.49	0.14	0.14	0.14	0.49	0.14	0.49	0.14	0.49	0.49	0.14	0.14	0.14	0.14	0.49
166	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55
167	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
168	0.23	0.23	1.00	0.23	1.00	0.23	0.23	0.23	0.23	0.23	0.23	1.00	0.23	0.23	0.23	0.23	1.00	0.23
169	0.41	0.41	0.41	0.41	0.41	0.41	0.51	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41	0.41
170	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68	-0.68
171	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08
172	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08
173	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49
174	0.59	0.59	0.17	0.59	0.59	0.17	0.59	0.59	0.59	0.59	0.59	0.17	0.59	0.17	0.34	0.59	0.17	0.17
175	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14
176	-0.26	-0.26	-0.26	-0.26	-0.56	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26	-0.26
177	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
178	0.25	0.25	0.25	0.25	0.25	0.25	0.25	-0.03	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25
179	-0.25	0.14	-0.25	0.14	-0.25	-0.25	0.14	-0.25	-0.25	-0.25	0.14	-0.25	-0.25	0.14	-0.25	-0.25	-0.25	0.14
180	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
181	0.47	0.08	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.08	0.08	0.47	0.47	0.47	0.47	0.08
182	0.34	0.34	0.34	0.17	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34	0.34
183	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
184	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
185	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
186	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
187	0.28	0.28	0.28	0.28	0.28	0.28	0.28	-0.46	-0.46	0.28	0.28	0.28	-0.46	0.28	0.28	0.28	0.28	-0.46
188	0.49	-0.25	-0.25	0.49	0.49	0.49	0.49	0.49	-0.25	0.49	0.49	0.49	-0.25	0.49	0.49	0.49	0.49	0.49
189	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.71	0.24	0.24	0.24	0.24	0.24	-0.41	0.24	0.24	-0.41	0.71
190	-0.41	0.24	-0.41	0.24	0.24	-0.41	0.24	0.24	-0.41	0.24	-0.41	-0.41	-0.41	0.24	0.24	0.24	0.24	0.24
191	0.28	0.28	0.04	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.04	0.28	0.28	0.28	0.28
192	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
193	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08
194	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24
195	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25
196	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25	1.25
197	0.52	1.14	1.14	0.52	1.14	1.14	1.14	0.52	1.14	1.14	0.52	1.14	1.14	1.14	1.14	1.14	1.14	0.52
198	0.71	0.71	0.71	0.24	0.71	0.71	0.24	0.71	0.71	0.71	0.24	0.71	0.71	0.24	0.71	0.24	0.24	0.24
199	0.81	0.93	0.81	0.81	0.81	0.93	0.81	0.81	0.81	0.81	0.81	0.81	0.81	0.81	0.81	0.81	0.81	0.93
200	0.49	-0.25	0.49	0.49	-0.25	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	-0.25	0.49
201	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
202	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.04	0.28	0.28	0.28	0.28
203	0.34	0.34	0.51	0.34	0.34	0.34	0.51	0.34	0.34	0.34	0.34	0.51	0.34	0.34	0.51	0.34	0.34	0.34
204	0.66	0.66	0.66	0.66	1.00	1.00	0.66	0.66	0.66	0.66	1.00	0.66	0.66	1.00	0.66	0.66	0.66	1.00
205	0.49	0.49	0.49	0.49	0.14	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.14	0.49	0.49	0.14	0.49
206	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24	0.24
207	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06	1.06
208	1.40	1.40	1.04	1.40	1.04	1.40	1.40	1.04	1.40	1.40	1.40	1.04	1.40	1.40	1.04	1.04	1.04	1.40
209	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14	0.14
210	0.77	0.77	0.77	0.29	0.77	0.77	0.77	0.77	0.77	0.77	0.29	0.77	0.77	0.77	0.77	0.77	0.77	-0.33
211	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
212	-0.57	-0.87	-0.57	-0.87	-0.57	-0.57	-0.57	-0.57	-0.84	-0.87	-0.57	-0.84	-0.57	-0.87	-0.57	-0.57	-0.57	-0.57
213	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74	-0.74
214	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	0.66	1.00	0.66	1.00	1.00	1.00	1.00	1.00
215	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49
216	0.51	0.51	0.51	0.51	0.23	0.51	0.51	0.51	0.51	0.51	0.34	0.51	0.23	0.51	0.34	0.51	0.51	0.51
217	0.28	-0.46	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28
218	0.20	0.54	1.04	1.04	0.54	1.04	-1.21	-0.61	1.04	0.20	1.04	1.04	1.04	1.04	-1.21	1.04	1.04	0.54
#Reported_Model_Average	0.477	0.438	0.471	0.442	0.438	0.457	0.471	0.433	0.433	0.433	0.449	0.470	0.444	0.430	0.416	0.471	0.452	0.424
#Overall_Average_Reported	0.447

Output from MolProbity

VdW violations from MAGE

JPEG image for MAGE VdW violation

vdw_viol_plot.jpg

Table of MAGE VdW violations for ordered residues across all models

#mage_clash
#Residue\Model	1	2	3	4	5	6	7	8	9	10	11	12	13	14	15	16	17	18
7.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
8.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
9.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
10.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
11.000	0	0	0	0	0	4	0	0	0	0	0	0	0	0	0	1	0	0
12.000	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0
13.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
14.000	0	0	0	2	1	0	0	0	0	1	0	0	0	1	0	0	0	0
15.000	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	1	0	0
16.000	0	0	0	2	0	1	0	0	1	0	1	2	0	0	0	0	0	0
17.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
18.000	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	1	0
19.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
20.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
21.000	0	0	1	0	0	0	0	0	1	0	0	0	1	0	0	0	1	0
22.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
26.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
27.000	1	1	2	0	0	0	1	1	1	0	3	1	1	0	0	0	0	1
28.000	0	0	1	1	0	1	0	0	0	1	0	1	0	0	0	0	0	0
29.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
30.000	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0
31.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
32.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
33.000	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0
34.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
35.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
36.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
37.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
38.000	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0
39.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
40.000	1	0	0	0	0	1	1	0	0	1	0	0	1	0	0	0	0	0
41.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
42.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
43.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
44.000	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0
45.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
46.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
47.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1
48.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
49.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
50.000	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1
51.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
52.000	6	0	0	0	0	0	0	0	6	0	0	0	0	0	0	0	0	6
53.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
54.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
55.000	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1
56.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
57.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
58.000	1	0	1	0	0	0	1	0	0	0	1	0	0	0	0	0	0	0
59.000	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
60.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
61.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
62.000	0	1	1	0	0	0	0	3	0	0	1	1	1	0	3	0	1	1
63.000	0	0	2	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0
64.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
65.000	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0
68.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
69.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
70.000	1	0	0	1	0	0	0	0	0	0	1	0	0	1	0	0	0	1
71.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
72.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
73.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
74.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
75.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
76.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
77.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
78.000	1	0	0	0	0	1	1	0	0	1	0	0	1	0	0	0	0	0
79.000	2	0	0	1	0	0	0	0	0	0	1	0	0	1	0	0	0	1
80.000	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0
81.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
82.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
83.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
84.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
85.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
86.000	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0
87.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
88.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
89.000	7	0	1	1	1	0	1	0	1	8	2	0	2	1	0	0	0	0
90.000	0	0	1	1	1	0	0	1	1	0	0	1	1	1	0	0	0	1
91.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
92.000	0	0	0	0	0	0	0	0	1	0	1	0	1	1	0	0	0	0
93.000	1	0	1	1	2	0	0	1	1	4	0	1	1	1	0	0	0	1
94.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
95.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
96.000	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
97.000	0	0	0	1	2	0	0	0	1	0	0	0	0	0	0	0	0	0
98.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
99.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
100.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1
101.000	0	0	1	1	1	0	1	0	1	1	1	0	0	1	2	0	0	0
125.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
126.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
127.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
128.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
129.000	0	0	0	0	0	4	0	0	0	0	0	0	0	0	0	1	0	0
130.000	0	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0
131.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
132.000	0	0	1	2	1	0	0	0	0	1	0	0	0	1	0	0	0	0
133.000	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	1	0	0
134.000	0	0	0	2	0	1	0	0	1	0	1	2	0	0	0	0	0	0
135.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
136.000	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	1	0
137.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
138.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
139.000	0	0	1	0	0	0	0	0	1	0	0	0	1	0	0	0	1	0
140.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
144.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1
145.000	1	1	2	0	0	0	0	1	1	0	3	0	1	0	0	1	0	1
146.000	0	0	0	2	0	1	0	0	0	1	0	1	0	0	0	0	0	0
147.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
148.000	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0
149.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
150.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
151.000	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0
152.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
153.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
154.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
155.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
156.000	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0
157.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
158.000	1	0	0	0	1	1	1	0	0	1	0	0	1	1	0	0	0	0
159.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
160.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
161.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
162.000	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0
163.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
164.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
165.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1
166.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
167.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
168.000	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	2
169.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
170.000	6	0	0	0	0	0	0	0	6	0	0	0	0	0	0	0	0	6
171.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
172.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
173.000	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	1
174.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
175.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
176.000	1	0	1	0	0	0	0	0	0	0	1	0	0	0	0	1	0	0
177.000	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
178.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
179.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
180.000	0	1	1	0	0	0	0	3	0	0	1	0	1	0	3	0	1	1
181.000	0	0	2	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0
182.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
183.000	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0
184.000	0	0	0	0	0	0	0	2	0	0	0	0	0	0	3	0	0	0
185.000	0	2	2	0	2	0	0	2	0	0	0	0	0	0	2	2	2	0
186.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
187.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
188.000	0	0	0	1	0	0	0	0	0	0	1	0	0	1	0	0	0	0
189.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
190.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
191.000	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0
192.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
193.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
194.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
195.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
196.000	1	0	0	0	2	1	1	0	0	1	0	0	1	1	0	0	0	0
197.000	1	0	0	1	0	0	0	0	0	0	1	0	0	1	0	0	0	0
198.000	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0
199.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
200.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0
201.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
202.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
203.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
204.000	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	1	1	0
205.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
206.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
207.000	7	0	1	1	1	0	1	0	1	8	2	0	2	2	0	0	0	0
208.000	0	0	1	1	1	0	0	1	0	0	0	1	1	1	0	0	0	1
209.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
210.000	0	0	0	0	0	0	0	0	1	0	1	0	1	0	0	0	0	0
211.000	1	0	1	1	2	0	0	1	0	4	0	1	1	1	0	0	0	1
212.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
213.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
214.000	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
215.000	0	0	0	1	2	0	0	0	1	0	0	0	0	0	0	0	0	0
216.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
217.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
218.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1
#Reported_Model_Average	0.232	0.055	0.144	0.133	0.171	0.088	0.050	0.088	0.182	0.204	0.138	0.099	0.122	0.094	0.083	0.055	0.055	0.177
#Overall_Average_Reported	0.121

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  3297:M  89 LEU 3HD2 :M  89 LEU  C   :   -0.702:        0
:  3297:M  89 LEU  C   :M  89 LEU  CD2 :   -0.536:        0
:  3297:M  89 LEU 3HD2 :M  89 LEU  O   :   -0.504:        0
:  3297:M 211 VAL 2HG2 :M  89 LEU 1HD1 :   -0.415:        0

:  3297:M 207 LEU 3HD2 :M 207 LEU  C   :   -0.697:        0
:  3297:M 207 LEU  C   :M 207 LEU  CD2 :   -0.539:        0
:  3297:M 207 LEU 3HD2 :M 207 LEU  O   :   -0.498:        0
:  3297:M 207 LEU 1HD1 :M  93 VAL 2HG2 :   -0.404:        0

:  3297:M  52 LEU  C   :M  52 LEU 3HD2 :   -0.565:        0
:  3297:M  52 LEU  O   :M  52 LEU 3HD2 :   -0.525:        0
:  3297:M  52 LEU  C   :M  52 LEU  CD2 :   -0.419:        0

:  3297:M 170 LEU 3HD2 :M 170 LEU  C   :   -0.555:        0
:  3297:M 170 LEU  O   :M 170 LEU 3HD2 :   -0.525:        0
:  3297:M 170 LEU  C   :M 170 LEU  CD2 :   -0.405:        0

:  3297:M 196 TYR  HA  :M 158 ALA  HA  :   -0.464:        0

:  3297:M  40 ALA  HA  :M  78 TYR  HA  :   -0.457:        0

:  3297:M  79 TYR  CD1 :M  59 LEU 3HD1 :   -0.407:        0
:  3297:M  79 TYR  CE2 :M  70 ALA 2HB  :   -0.404:        0

:  3297:M  58 ASN 2HB  :M  27 ARG 1HG  :   -0.405:        0

:  3297:M 197 TYR  CD1 :M 177 LEU 3HD1 :   -0.401:        0

:  3297:M 176 ASN 2HB  :M 145 ARG 1HG  :   -0.401:        0
#sum2 ::6.37 clashscore : 6.37 clashscore B<40 
#summary::3297 atoms:3297 atoms B<40:370276 potential dots:23140.0 A^2:21 bumps:21 bumps B<40:1358 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  3297:M  27 ARG 1HD  :M  62 LEU  HG  :   -0.503:        0

:  3297:M 145 ARG 1HD  :M 180 LEU  HG  :   -0.498:        0

:  3297:M   5 SER  N   :M   3 GLY  O   :   -0.454:        0

:  3297:M 204 VAL 2HG2 :M  96 VAL 3HG1 :   -0.454:        0

:  3297:M  86 VAL 2HG2 :M 214 VAL 3HG1 :   -0.453:        0

:  3297:M 121 GLY  O   :M 123 SER  N   :   -0.449:        0

:  3297:M 185 LEU  HA  :M 185 LEU 3HD1 :   -0.410:        0

:  3297:M  67 LEU 3HD1 :M  67 LEU  HA  :   -0.400:        0
#sum2 ::2.43 clashscore : 2.43 clashscore B<40 
#summary::3297 atoms:3297 atoms B<40:370195 potential dots:23140.0 A^2:8 bumps:8 bumps B<40:1555 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  3297:M 139 ALA 1HB  :M 180 LEU 3HD2 :   -0.472:        0

:  3297:M  62 LEU 3HD2 :M  21 ALA 1HB  :   -0.469:        0

:  3297:M 208 PHE  O   :M 211 VAL 2HG1 :   -0.462:        0

:  3297:M 176 ASN 2HB  :M 145 ARG 1HG  :   -0.455:        0
:  3297:M 142 ASN 2HB  :M 145 ARG 1HB  :   -0.412:        0

:  3297:M  90 PHE  O   :M  93 VAL 2HG1 :   -0.454:        0

:  3297:M 105 HIS 2HB  :M 104 HIS  O   :   -0.443:        0

:  3297:M  63 LYS 1HB  :M  63 LYS 2HE  :   -0.441:        0

:  3297:M 223 HIS 2HB  :M 222 HIS  O   :   -0.441:        0

:  3297:M 185 LEU  N   :M 185 LEU 2HD2 :   -0.439:        0

:  3297:M  58 ASN 2HB  :M  27 ARG 1HG  :   -0.437:        0
:  3297:M  27 ARG 1HB  :M  24 ASN 2HB  :   -0.411:        0

:  3297:M  67 LEU 2HD2 :M  67 LEU  N   :   -0.432:        0

:  3297:M 221 HIS  ND1 :M 221 HIS  O   :   -0.423:        0

:  3297:M 103 HIS  ND1 :M 103 HIS  O   :   -0.416:        0

:  3297:M 181 LYS 1HB  :M 181 LYS 2HE  :   -0.411:        0

:  3297:M 132 GLN 1HG  :M 101 LEU 1HB  :   -0.407:        0

:  3297:M 130 LEU 2HD2 :M  28 LEU 2HB  :   -0.405:        0

:  3297:M 207 LEU 2HD1 :M  89 LEU 2HD1 :   -0.405:        0
#sum2 ::5.76 clashscore : 5.76 clashscore B<40 
#summary::3297 atoms:3297 atoms B<40:370403 potential dots:23150.0 A^2:19 bumps:19 bumps B<40:1357 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  3297:M 207 LEU 2HD1 :M  89 LEU 2HD1 :   -0.527:        0

:  3297:M  24 ASN 2HB  :M  28 LEU 1HD1 :   -0.500:        0
:  3297:M 134 ALA  HA  :M  24 ASN  CB  :   -0.429:        0
:  3297:M  24 ASN  ND2 :M 134 ALA  HA  :   -0.417:        0

:  3297:M 146 LEU 1HD1 :M 142 ASN 2HB  :   -0.481:        0

:  3297:M 101 LEU  HG  :M 132 GLN 1HG  :   -0.481:        0

:  3297:M 142 ASN  CB  :M  16 ALA  HA  :   -0.430:        0

:  3297:M 132 GLN 2HB  :M  97 ALA 1HB  :   -0.419:        0

:  3297:M 142 ASN  ND2 :M  16 ALA  HA  :   -0.416:        0
:  3297:M 146 LEU 1HD2 :M 142 ASN  OD1 :   -0.401:        0

:  3297:M 219 LEU  HG  :M  14 GLN 1HG  :   -0.477:        0
:  3297:M  14 GLN 2HB  :M 215 ALA 1HB  :   -0.410:        0

:  3297:M 208 PHE  O   :M 211 VAL 2HG1 :   -0.440:        0

:  3297:M  90 PHE  O   :M  93 VAL 2HG1 :   -0.435:        0

:  3297:M  79 TYR  CE2 :M  70 ALA 2HB  :   -0.413:        0

:  3297:M 188 ALA 2HB  :M 197 TYR  CE2 :   -0.409:        0

:  3297:M 222 HIS  H   :M 220 GLU 1HG  :   -0.404:        0
#sum2 ::5.16 clashscore : 5.16 clashscore B<40 
#summary::3297 atoms:3297 atoms B<40:370334 potential dots:23150.0 A^2:17 bumps:17 bumps B<40:1324 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  3297:M  67 LEU 2HD2 :M  86 VAL 3HG1 :   -0.466:        0

:  3297:M 204 VAL 3HG1 :M 185 LEU 2HD2 :   -0.466:        0
:  3297:M 185 LEU 1HD2 :M 136 VAL 3HG1 :   -0.453:        0

:  3297:M  67 LEU 1HD2 :M  18 VAL 3HG1 :   -0.446:        0
:  3297:M 208 PHE  O   :M 211 VAL 2HG1 :   -0.446:        0

:  3297:M  90 PHE  O   :M  93 VAL 2HG1 :   -0.445:        0

:  3297:M  18 VAL 1HG1 :M 211 VAL 3HG2 :   -0.423:        0

:  3297:M 136 VAL 1HG1 :M  93 VAL 3HG2 :   -0.417:        0

:  3297:M 219 LEU 1HB  :M 215 ALA  O   :   -0.451:        0
:  3297:M  14 GLN 2HB  :M 215 ALA 1HB  :   -0.423:        0

:  3297:M 101 LEU 1HB  :M  97 ALA  O   :   -0.442:        0
:  3297:M 132 GLN 2HB  :M  97 ALA 1HB  :   -0.432:        0

:  3297:M  33 LEU  CD2 :M  44 ILE  HA  :   -0.432:        0

:  3297:M 162 ILE  HA  :M 151 LEU  CD2 :   -0.429:        0

:  3297:M 191 GLU 2HB  :M 196 TYR  CE1 :   -0.404:        0
:  3297:M 196 TYR  HA  :M 158 ALA  HA  :   -0.400:        0

:  3297:M 207 LEU 2HD1 :M  89 LEU 2HD1 :   -0.401:        0
#sum2 ::5.16 clashscore : 5.16 clashscore B<40 
#summary::3297 atoms:3297 atoms B<40:370274 potential dots:23140.0 A^2:17 bumps:17 bumps B<40:1412 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  3297:M 129 LEU  O   :M 129 LEU 3HD2 :   -0.605:        0
:  3297:M 129 LEU 3HD2 :M 129 LEU  C   :   -0.497:        0

:  3297:M  11 LEU  O   :M  11 LEU 3HD2 :   -0.601:        0
:  3297:M  11 LEU  C   :M  11 LEU 3HD2 :   -0.498:        0

:  3297:M 124 ASP 1HB  :M 123 SER  O   :   -0.551:        0

:  3297:M   5 SER  O   :M   6 ASP 1HB  :   -0.549:        0

:  3297:M 196 TYR  HA  :M 158 ALA  HA  :   -0.470:        0

:  3297:M  40 ALA  HA  :M  78 TYR  HA  :   -0.466:        0

:  3297:M  16 ALA  HA  :M 141 ALA  HA  :   -0.459:        0

:  3297:M 134 ALA  HA  :M  23 ALA  HA  :   -0.459:        0

:  3297:M 146 LEU 2HD1 :M 143 GLY 1HA  :   -0.400:        0

:  3297:M  25 GLY 1HA  :M  28 LEU 2HD1 :   -0.400:        0
#sum2 ::3.64 clashscore : 3.64 clashscore B<40 
#summary::3297 atoms:3297 atoms B<40:370352 potential dots:23150.0 A^2:12 bumps:12 bumps B<40:1376 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  3297:M 207 LEU 2HD1 :M  89 LEU 2HD1 :   -0.457:        0

:  3297:M 196 TYR  HA  :M 158 ALA  HA  :   -0.428:        0

:  3297:M  40 ALA  HA  :M  78 TYR  HA  :   -0.425:        0

:  3297:M 122 GLN 2HG  :M 120 ALA 3HB  :   -0.408:        0

:  3297:M 101 LEU  O   :M 102 GLU  C   :   -0.408:        0

:  3297:M   2 ALA 3HB  :M   4 GLN 2HG  :   -0.404:        0

:  3297:M  58 ASN 2HB  :M  27 ARG 1HG  :   -0.401:        0
#sum2 ::2.12 clashscore : 2.12 clashscore B<40 
#summary::3297 atoms:3297 atoms B<40:370504 potential dots:23160.0 A^2:7 bumps:7 bumps B<40:1471 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  3297:M 185 LEU  N   :M 185 LEU 3HD2 :   -0.538:        0

:  3297:M  67 LEU  N   :M  67 LEU 3HD2 :   -0.529:        0

:  3297:M  27 ARG 2HB  :M  62 LEU 1HD2 :   -0.489:        0
:  3297:M  66 GLY 2HA  :M  62 LEU  HA  :   -0.479:        0
:  3297:M  62 LEU  O   :M  66 GLY  CA  :   -0.404:        0

:  3297:M 180 LEU  HA  :M 184 GLY 2HA  :   -0.482:        0
:  3297:M 145 ARG 2HB  :M 180 LEU 1HD2 :   -0.480:        0
:  3297:M 180 LEU  O   :M 184 GLY  CA  :   -0.404:        0

:  3297:M  90 PHE  O   :M  93 VAL 2HG1 :   -0.421:        0

:  3297:M 208 PHE  O   :M 211 VAL 2HG1 :   -0.416:        0
#sum2 ::3.03 clashscore : 3.03 clashscore B<40 
#summary::3297 atoms:3297 atoms B<40:370610 potential dots:23160.0 A^2:10 bumps:10 bumps B<40:1367 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  3297:M 170 LEU  O   :M 170 LEU 3HD2 :   -0.697:        0
:  3297:M 170 LEU  C   :M 170 LEU 3HD2 :   -0.643:        0
:  3297:M 170 LEU  CD2 :M 170 LEU  C   :   -0.499:        0

:  3297:M  52 LEU 3HD2 :M  52 LEU  O   :   -0.689:        0
:  3297:M  52 LEU 3HD2 :M  52 LEU  C   :   -0.633:        0
:  3297:M  52 LEU  C   :M  52 LEU  CD2 :   -0.495:        0

:  3297:M 142 ASN 2HB  :M 145 ARG 1HB  :   -0.501:        0

:  3297:M  27 ARG 1HB  :M  24 ASN 2HB  :   -0.484:        0

:  3297:M  21 ALA 2HB  :M  65 GLY 2HA  :   -0.472:        0

:  3297:M 134 ALA  HA  :M  23 ALA  HA  :   -0.465:        0

:  3297:M 139 ALA 2HB  :M 183 GLY 2HA  :   -0.463:        0

:  3297:M 141 ALA  HA  :M  16 ALA  HA  :   -0.458:        0

:  3297:M  38 GLU  CB  :M  80 ARG 2HB  :   -0.454:        0

:  3297:M 156 GLU  CB  :M 198 ARG 2HB  :   -0.453:        0

:  3297:M 210 LEU 3HD2 :M  89 LEU  HA  :   -0.431:        0

:  3297:M 207 LEU  HA  :M  92 LEU 3HD2 :   -0.426:        0

:  3297:M   3 GLY  O   :M   4 GLN 1HB  :   -0.415:        0

:  3297:M  97 ALA  O   :M 101 LEU  N   :   -0.409:        0

:  3297:M 122 GLN 1HB  :M 121 GLY  O   :   -0.408:        0

:  3297:M  90 PHE  O   :M  93 VAL 2HG1 :   -0.404:        0

:  3297:M 215 ALA  O   :M 219 LEU  N   :   -0.400:        0
#sum2 ::6.37 clashscore : 6.37 clashscore B<40 
#summary::3297 atoms:3297 atoms B<40:370277 potential dots:23140.0 A^2:21 bumps:21 bumps B<40:1426 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  3297:M 207 LEU  C   :M 207 LEU 3HD2 :   -0.705:        0
:  3297:M  89 LEU  C   :M  89 LEU 3HD2 :   -0.701:        0
:  3297:M  89 LEU  CD2 :M  89 LEU  C   :   -0.608:        0
:  3297:M 207 LEU  CD2 :M 207 LEU  C   :   -0.600:        0
:  3297:M  89 LEU  O   :M  89 LEU 3HD2 :   -0.563:        0
:  3297:M 207 LEU  O   :M 207 LEU 3HD2 :   -0.561:        0
:  3297:M  15 VAL 3HG1 :M 211 VAL  CG1 :   -0.462:        0
:  3297:M 133 VAL 3HG1 :M  93 VAL  CG1 :   -0.455:        0
:  3297:M 211 VAL 2HG1 :M  15 VAL 3HG1 :   -0.446:        0
:  3297:M  89 LEU 1HD1 :M 211 VAL 2HG2 :   -0.445:        0
:  3297:M 207 LEU  O   :M 211 VAL 3HG2 :   -0.441:        0
:  3297:M 207 LEU 1HD1 :M  93 VAL 2HG2 :   -0.439:        0
:  3297:M  89 LEU  O   :M  93 VAL 3HG2 :   -0.437:        0
:  3297:M 133 VAL 3HG1 :M  93 VAL 2HG1 :   -0.435:        0

:  3297:M 132 GLN 1HG  :M 101 LEU  HG  :   -0.494:        0

:  3297:M 219 LEU  HG  :M  14 GLN 1HG  :   -0.489:        0

:  3297:M 143 GLY 1HA  :M 146 LEU 2HD1 :   -0.444:        0

:  3297:M  25 GLY 1HA  :M  28 LEU 2HD1 :   -0.436:        0

:  3297:M 158 ALA  HA  :M 196 TYR  HA  :   -0.415:        0

:  3297:M  78 TYR  HA  :M  40 ALA  HA  :   -0.409:        0
#sum2 ::6.07 clashscore : 6.07 clashscore B<40 
#summary::3297 atoms:3297 atoms B<40:370423 potential dots:23150.0 A^2:20 bumps:20 bumps B<40:1433 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  3297:M  58 ASN 2HB  :M  27 ARG 1HG  :   -0.600:        0
:  3297:M  27 ARG 1HD  :M  62 LEU  HG  :   -0.462:        0
:  3297:M  30 ILE 2HD1 :M  27 ARG  HA  :   -0.424:        0

:  3297:M 176 ASN 2HB  :M 145 ARG 1HG  :   -0.598:        0
:  3297:M 145 ARG 1HD  :M 180 LEU  HG  :   -0.469:        0
:  3297:M 145 ARG  HA  :M 148 ILE 2HD1 :   -0.414:        0

:  3297:M  79 TYR  CE2 :M  70 ALA 2HB  :   -0.462:        0

:  3297:M 197 TYR  CE2 :M 188 ALA 2HB  :   -0.460:        0

:  3297:M 102 GLU 1HB  :M 101 LEU  O   :   -0.458:        0

:  3297:M 220 GLU 1HB  :M 219 LEU  O   :   -0.454:        0

:  3297:M 207 LEU 2HD1 :M  89 LEU 2HD1 :   -0.439:        0
:  3297:M  89 LEU  HA  :M 210 LEU 3HD2 :   -0.428:        0
:  3297:M 207 LEU  HA  :M  92 LEU 3HD2 :   -0.424:        0

:  3297:M  24 ASN  HA  :M 134 ALA 1HB  :   -0.424:        0

:  3297:M 142 ASN  HA  :M  16 ALA 1HB  :   -0.413:        0
#sum2 ::4.55 clashscore : 4.55 clashscore B<40 
#summary::3297 atoms:3297 atoms B<40:370318 potential dots:23140.0 A^2:15 bumps:15 bumps B<40:1457 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  3297:M  24 ASN 1HB  :M 134 ALA  CB  :   -0.517:        0
:  3297:M  24 ASN 1HB  :M 134 ALA 1HB  :   -0.425:        0

:  3297:M 142 ASN 1HB  :M  16 ALA  CB  :   -0.514:        0
:  3297:M  16 ALA 1HB  :M 142 ASN 1HB  :   -0.432:        0

:  3297:M  90 PHE  O   :M  93 VAL 2HG1 :   -0.416:        0

:  3297:M 208 PHE  O   :M 211 VAL 2HG1 :   -0.414:        0

:  3297:M  55 ALA  HA  :M  50 MET  SD  :   -0.408:        0

:  3297:M 168 MET  SD  :M 173 ALA  HA  :   -0.407:        0

:  3297:M 130 LEU 2HD2 :M  28 LEU 2HB  :   -0.405:        0

:  3297:M  12 LEU 2HD2 :M 146 LEU 2HB  :   -0.403:        0

:  3297:M  27 ARG 2HB  :M  62 LEU 1HD2 :   -0.400:        0
#sum2 ::3.34 clashscore : 3.34 clashscore B<40 
#summary::3297 atoms:3297 atoms B<40:370532 potential dots:23160.0 A^2:11 bumps:11 bumps B<40:1338 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  3297:M 207 LEU 2HD1 :M  89 LEU 2HD1 :   -0.466:        0
:  3297:M 207 LEU  HA  :M  92 LEU 3HD2 :   -0.411:        0
:  3297:M  89 LEU  HA  :M 210 LEU 3HD2 :   -0.400:        0

:  3297:M 196 TYR  HA  :M 158 ALA  HA  :   -0.436:        0

:  3297:M  62 LEU 3HD2 :M  21 ALA 1HB  :   -0.432:        0

:  3297:M  40 ALA  HA  :M  78 TYR  HA  :   -0.430:        0

:  3297:M 139 ALA 1HB  :M 180 LEU 3HD2 :   -0.422:        0

:  3297:M 142 ASN 2HB  :M 145 ARG 1HD  :   -0.421:        0

:  3297:M  27 ARG 1HD  :M  24 ASN 2HB  :   -0.417:        0

:  3297:M  63 LYS 1HB  :M  63 LYS 2HE  :   -0.404:        0

:  3297:M  90 PHE  O   :M  93 VAL 2HG1 :   -0.402:        0

:  3297:M 211 VAL 2HG1 :M 208 PHE  O   :   -0.402:        0
#sum2 ::3.64 clashscore : 3.64 clashscore B<40 
#summary::3297 atoms:3297 atoms B<40:370617 potential dots:23160.0 A^2:12 bumps:12 bumps B<40:1447 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  3297:M 207 LEU 2HD1 :M  89 LEU 2HD1 :   -0.467:        0
:  3297:M 207 LEU  HA  :M  92 LEU 3HD2 :   -0.402:        0

:  3297:M  90 PHE  O   :M  93 VAL 2HG1 :   -0.454:        0

:  3297:M 208 PHE  O   :M 211 VAL 2HG1 :   -0.451:        0

:  3297:M 219 LEU 1HD2 :M  14 GLN 2HG  :   -0.429:        0

:  3297:M 132 GLN 2HG  :M 101 LEU 1HD2 :   -0.426:        0

:  3297:M 197 TYR  CE2 :M 188 ALA 2HB  :   -0.414:        0

:  3297:M 196 TYR  HA  :M 158 ALA  HA  :   -0.411:        0

:  3297:M  79 TYR  CE2 :M  70 ALA 2HB  :   -0.411:        0

:  3297:M  67 LEU 3HD1 :M  67 LEU  HA  :   -0.411:        0
#sum2 ::3.03 clashscore : 3.03 clashscore B<40 
#summary::3297 atoms:3297 atoms B<40:370429 potential dots:23150.0 A^2:10 bumps:10 bumps B<40:1427 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  3297:M 180 LEU  HA  :M 184 GLY 2HA  :   -0.459:        0
:  3297:M 180 LEU  CA  :M 184 GLY 2HA  :   -0.430:        0
:  3297:M 184 GLY  CA  :M 180 LEU  O   :   -0.424:        0

:  3297:M 102 GLU 2HB  :M 101 LEU  O   :   -0.455:        0

:  3297:M  66 GLY 2HA  :M  62 LEU  HA  :   -0.455:        0
:  3297:M  62 LEU  CA  :M  66 GLY 2HA  :   -0.430:        0
:  3297:M  62 LEU  O   :M  66 GLY  CA  :   -0.417:        0

:  3297:M 101 LEU  O   :M 102 GLU  CB  :   -0.412:        0

:  3297:M 219 LEU  O   :M 220 GLU 2HB  :   -0.449:        0
:  3297:M 219 LEU  O   :M 220 GLU  CB  :   -0.411:        0

:  3297:M 185 LEU  N   :M 185 LEU 3HD2 :   -0.444:        0

:  3297:M  67 LEU  N   :M  67 LEU 3HD2 :   -0.439:        0

:  3297:M 181 LYS 2HE  :M 181 LYS 1HB  :   -0.407:        0
#sum2 ::3.94 clashscore : 3.94 clashscore B<40 
#summary::3297 atoms:3297 atoms B<40:370192 potential dots:23140.0 A^2:13 bumps:13 bumps B<40:1275 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  3297:M 133 VAL 3HG2 :M 129 LEU  O   :   -0.425:        0

:  3297:M  15 VAL 3HG2 :M  11 LEU  O   :   -0.421:        0

:  3297:M  67 LEU 2HD2 :M  67 LEU  N   :   -0.414:        0

:  3297:M 185 LEU  N   :M 185 LEU 2HD2 :   -0.414:        0

:  3297:M  67 LEU 3HD1 :M  67 LEU  HA  :   -0.409:        0

:  3297:M 204 VAL 1HG2 :M 200 ALA 3HB  :   -0.401:        0

:  3297:M 176 ASN 2HB  :M 145 ARG 1HG  :   -0.400:        0
#sum2 ::2.12 clashscore : 2.12 clashscore B<40 
#summary::3297 atoms:3297 atoms B<40:370655 potential dots:23170.0 A^2:7 bumps:7 bumps B<40:1408 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  3297:M 185 LEU 1HD2 :M 136 VAL 3HG1 :   -0.456:        0
:  3297:M 204 VAL 3HG1 :M 185 LEU 2HD2 :   -0.404:        0

:  3297:M  62 LEU 3HD2 :M  21 ALA 1HB  :   -0.441:        0

:  3297:M  67 LEU 1HD2 :M  18 VAL 3HG1 :   -0.439:        0

:  3297:M 139 ALA 1HB  :M 180 LEU 3HD2 :   -0.439:        0

:  3297:M  67 LEU 2HD2 :M  86 VAL 3HG1 :   -0.401:        0
#sum2 ::1.82 clashscore : 1.82 clashscore B<40 
#summary::3297 atoms:3297 atoms B<40:370662 potential dots:23170.0 A^2:6 bumps:6 bumps B<40:1384 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  3297:M  52 LEU  O   :M  52 LEU 3HD2 :   -0.736:        0
:  3297:M  52 LEU  C   :M  52 LEU 3HD2 :   -0.650:        0
:  3297:M  52 LEU  CD2 :M  52 LEU  C   :   -0.505:        0

:  3297:M 170 LEU  O   :M 170 LEU 3HD2 :   -0.716:        0
:  3297:M 170 LEU 3HD2 :M 170 LEU  C   :   -0.640:        0
:  3297:M 170 LEU  C   :M 170 LEU  CD2 :   -0.495:        0

:  3297:M 100 HIS  HA  :M 103 HIS 1HB  :   -0.455:        0

:  3297:M 168 MET 1HE  :M 144 ARG 2HB  :   -0.437:        0
:  3297:M 168 MET  SD  :M 173 ALA  HA  :   -0.416:        0

:  3297:M 221 HIS 1HB  :M 218 HIS  HA  :   -0.435:        0

:  3297:M  27 ARG 2HB  :M  62 LEU 1HD2 :   -0.431:        0

:  3297:M   2 ALA  HA  :M 165 ALA  HA  :   -0.425:        0

:  3297:M  47 ALA  HA  :M 120 ALA  HA  :   -0.424:        0

:  3297:M  90 PHE  O   :M  93 VAL 2HG1 :   -0.422:        0

:  3297:M 145 ARG 2HB  :M 180 LEU 1HD2 :   -0.413:        0

:  3297:M  55 ALA  HA  :M  50 MET  SD  :   -0.413:        0

:  3297:M 208 PHE  O   :M 211 VAL 2HG1 :   -0.412:        0

:  3297:M  70 ALA 2HB  :M  79 TYR  CE2 :   -0.401:        0
#sum2 ::5.46 clashscore : 5.46 clashscore B<40 
#summary::3297 atoms:3297 atoms B<40:370260 potential dots:23140.0 A^2:18 bumps:18 bumps B<40:1496 score

Output from PDB validation software

Summary from PDB validation

                                                       May. 14, 14:22:26 2013

[ Text modified to reflect that this was run under PSVS - Aneerban Bhattacharya: Dec 2005 ]


The following checks were made on :
-----------------------------------------

CLOSE CONTACTS

==> Distances smaller than 2.2 Angstroms are considered as close contacts
    for heavy atoms, 1.6 Angstroms for hydrogens.

      none



DISTANCES AND ANGLES 

We have checked your intra and intermolecular distances and angles with the
procedures currently in place at PDB:

==> Bond and angle checks are performed by first computing the average rms
    error for all bonds and angles relative to standard values for nucleotide
    units [L. Clowney et al., Geometric Parameters in Nucleic Acids: Nitrogenous
    Bases, J.Am.Chem.Soc. 1996, 118, 509-518; A. Gelbin et al., Geometric
    Parameters in Nucleic Acids: Sugar and Phosphate Constituents, J.Am.Chem.Soc.
    1996, 118, 519-529] and amino acid units [R.A. Engh and R. Huber, Accurate
    Bond and Angle Parameters for X-ray protein structure refinement, Acta
    Crystallogr. 1991, A47, 392-400]. Any bond or angle which deviates from the
    dictionary values by more than six times this computed rms error is 
    identified as an outlier.



    *** Covalent Bond Lengths:


The RMS deviation for covalent bonds relative to the standard 
dictionary is   0.009 Angstroms

All covalent bonds lie within a 6.0*RMSD range about the 
standard dictionary values.

    *** Covalent Angle Values:


The RMS deviation for covalent angles relative to the standard 
dictionary is    0.7 degrees.


All covalent bond angles lie within a 6.0*RMSD range about the 
standard dictionary values.


TORSION ANGLES
 
The torsion angle distributions have been checked.  The postscript file of the
conformation rings showing the torsion angle distributions will be sent in a
separate E-mail message.


CHIRALITY

The chirality has been checked. O1P, O2P, and hydrogen atoms which do not
follow the convention defined in the IUBMB (Liebecq, C. Compendium of
Biochemical Nomenclature and Related Documents, 2nd ed.; Portland Press:
London and Chapel Hill, 1992) and IUPAC nomenclature (J.L. Markley, A. Bax,
Y. Arata, C.W. Hilbers, R. Kaptein, B.D. Sykes, P.E. Wright and K. Wüthrich,
Recommendations for the Presentation of NMR Structures of Proteins and
Nucleic Acids, Pure & Appl. Chem., Vol. 70, pp. 117-142, 1998) have been
standardized.  Any other stereochemical violations are listed below.


E/Z NOMENCLATURE

E/Z nomenclature of hydrogens and/or nitrogens on Arg, Asn or Gln residues needs
to be corrected to conform with the standard for E/Z orientation presented in
[J.L. Markley, et al., Recommendations for the Presentation of NMR Structures of
Proteins and Nucleic Acids, Pure & Appl. Chem., 1998, 70, 117-142]. 

Model  Chain  Residue  Residue  Atom Name  Original
               Name    Number              Atom Name
-----  -----  -------  -------  --------   ---------
  1    A       GLN        4      1HE2
  1    A       GLN        4      2HE2
  1    A       GLN       14      1HE2
  1    A       GLN       14      2HE2
  1    A       ASN       24      1HD2
  1    A       ASN       24      2HD2
  1    A       GLN       29      1HE2
  1    A       GLN       29      2HE2
  1    A       GLN       36      1HE2
  1    A       GLN       36      2HE2
  1    A       ASN       51      1HD2
  1    A       ASN       51      2HD2
  1    A       ASN       58      1HD2
  1    A       ASN       58      2HD2
  1    A       GLN       60      1HE2
  1    A       GLN       60      2HE2
  1    A       GLN       77      1HE2
  1    A       GLN       77      2HE2
  1    A       GLN       94      1HE2
  1    A       GLN       94      2HE2
  1    B       GLN        4      1HE2
  1    B       GLN        4      2HE2
  1    B       GLN       14      1HE2
  1    B       GLN       14      2HE2
  1    B       ASN       24      1HD2
  1    B       ASN       24      2HD2
  1    B       GLN       29      1HE2
  1    B       GLN       29      2HE2
  1    B       GLN       36      1HE2
  1    B       GLN       36      2HE2
  1    B       ASN       51      1HD2
  1    B       ASN       51      2HD2
  1    B       ASN       58      1HD2
  1    B       ASN       58      2HD2
  1    B       GLN       60      1HE2
  1    B       GLN       60      2HE2
  1    B       GLN       77      1HE2
  1    B       GLN       77      2HE2
  1    B       GLN       94      1HE2
  1    B       GLN       94      2HE2
  2    A       GLN        4      1HE2
  2    A       GLN        4      2HE2
  2    A       GLN       14      1HE2
  2    A       GLN       14      2HE2
  2    A       ASN       24      1HD2
  2    A       ASN       24      2HD2
  2    A       GLN       29      1HE2
  2    A       GLN       29      2HE2
  2    A       GLN       36      1HE2
  2    A       GLN       36      2HE2
  2    A       ASN       51      1HD2
  2    A       ASN       51      2HD2
  2    A       ASN       58      1HD2
  2    A       ASN       58      2HD2
  2    A       GLN       60      1HE2
  2    A       GLN       60      2HE2
  2    A       GLN       77      1HE2
  2    A       GLN       77      2HE2
  2    A       GLN       94      1HE2
  2    A       GLN       94      2HE2
  2    B       GLN        4      1HE2
  2    B       GLN        4      2HE2
  2    B       GLN       14      1HE2
  2    B       GLN       14      2HE2
  2    B       ASN       24      1HD2
  2    B       ASN       24      2HD2
  2    B       GLN       29      1HE2
  2    B       GLN       29      2HE2
  2    B       GLN       36      1HE2
  2    B       GLN       36      2HE2
  2    B       ASN       51      1HD2
  2    B       ASN       51      2HD2
  2    B       ASN       58      1HD2
  2    B       ASN       58      2HD2
  2    B       GLN       60      1HE2
  2    B       GLN       60      2HE2
  2    B       GLN       77      1HE2
  2    B       GLN       77      2HE2
  2    B       GLN       94      1HE2
  2    B       GLN       94      2HE2
  3    A       GLN        4      1HE2
  3    A       GLN        4      2HE2
  3    A       GLN       14      1HE2
  3    A       GLN       14      2HE2
  3    A       ASN       24      1HD2
  3    A       ASN       24      2HD2
  3    A       GLN       29      1HE2
  3    A       GLN       29      2HE2
  3    A       GLN       36      1HE2
  3    A       GLN       36      2HE2
  3    A       ASN       51      1HD2
  3    A       ASN       51      2HD2
  3    A       ASN       58      1HD2
  3    A       ASN       58      2HD2
  3    A       GLN       60      1HE2
  3    A       GLN       60      2HE2
  3    A       GLN       77      1HE2
  3    A       GLN       77      2HE2
  3    A       GLN       94      1HE2
  3    A       GLN       94      2HE2
  3    B       GLN        4      1HE2
  3    B       GLN        4      2HE2
  3    B       GLN       14      1HE2
  3    B       GLN       14      2HE2
  3    B       ASN       24      1HD2
  3    B       ASN       24      2HD2
  3    B       GLN       29      1HE2
  3    B       GLN       29      2HE2
  3    B       GLN       36      1HE2
  3    B       GLN       36      2HE2
  3    B       ASN       51      1HD2
  3    B       ASN       51      2HD2
  3    B       ASN       58      1HD2
  3    B       ASN       58      2HD2
  3    B       GLN       60      1HE2
  3    B       GLN       60      2HE2
  3    B       GLN       77      1HE2
  3    B       GLN       77      2HE2
  3    B       GLN       94      1HE2
  3    B       GLN       94      2HE2
  4    A       GLN        4      1HE2
  4    A       GLN        4      2HE2
  4    A       GLN       14      1HE2
  4    A       GLN       14      2HE2
  4    A       ASN       24      1HD2
  4    A       ASN       24      2HD2
  4    A       GLN       29      1HE2
  4    A       GLN       29      2HE2
  4    A       GLN       36      1HE2
  4    A       GLN       36      2HE2
  4    A       ASN       51      1HD2
  4    A       ASN       51      2HD2
  4    A       ASN       58      1HD2
  4    A       ASN       58      2HD2
  4    A       GLN       60      1HE2
  4    A       GLN       60      2HE2
  4    A       GLN       77      1HE2
  4    A       GLN       77      2HE2
  4    A       GLN       94      1HE2
  4    A       GLN       94      2HE2
  4    B       GLN        4      1HE2
  4    B       GLN        4      2HE2
  4    B       GLN       14      1HE2
  4    B       GLN       14      2HE2
  4    B       ASN       24      1HD2
  4    B       ASN       24      2HD2
  4    B       GLN       29      1HE2
  4    B       GLN       29      2HE2
  4    B       GLN       36      1HE2
  4    B       GLN       36      2HE2
  4    B       ASN       51      1HD2
  4    B       ASN       51      2HD2
  4    B       ASN       58      1HD2
  4    B       ASN       58      2HD2
  4    B       GLN       60      1HE2
  4    B       GLN       60      2HE2
  4    B       GLN       77      1HE2
  4    B       GLN       77      2HE2
  4    B       GLN       94      1HE2
  4    B       GLN       94      2HE2
  5    A       GLN        4      1HE2
  5    A       GLN        4      2HE2
  5    A       GLN       14      1HE2
  5    A       GLN       14      2HE2
  5    A       ASN       24      1HD2
  5    A       ASN       24      2HD2
  5    A       GLN       29      1HE2
  5    A       GLN       29      2HE2
  5    A       GLN       36      1HE2
  5    A       GLN       36      2HE2
  5    A       ASN       51      1HD2
  5    A       ASN       51      2HD2
  5    A       ASN       58      1HD2
  5    A       ASN       58      2HD2
  5    A       GLN       60      1HE2
  5    A       GLN       60      2HE2
  5    A       GLN       77      1HE2
  5    A       GLN       77      2HE2
  5    A       GLN       94      1HE2
  5    A       GLN       94      2HE2
  5    B       GLN        4      1HE2
  5    B       GLN        4      2HE2
  5    B       GLN       14      1HE2
  5    B       GLN       14      2HE2
  5    B       ASN       24      1HD2
  5    B       ASN       24      2HD2
  5    B       GLN       29      1HE2
  5    B       GLN       29      2HE2
  5    B       GLN       36      1HE2
  5    B       GLN       36      2HE2
  5    B       ASN       51      1HD2
  5    B       ASN       51      2HD2
  5    B       ASN       58      1HD2
  5    B       ASN       58      2HD2
  5    B       GLN       60      1HE2
  5    B       GLN       60      2HE2
  5    B       GLN       77      1HE2
  5    B       GLN       77      2HE2
  5    B       GLN       94      1HE2
  5    B       GLN       94      2HE2
  6    A       GLN        4      1HE2
  6    A       GLN        4      2HE2
  6    A       GLN       14      1HE2
  6    A       GLN       14      2HE2
  6    A       ASN       24      1HD2
  6    A       ASN       24      2HD2
  6    A       GLN       29      1HE2
  6    A       GLN       29      2HE2
  6    A       GLN       36      1HE2
  6    A       GLN       36      2HE2
  6    A       ASN       51      1HD2
  6    A       ASN       51      2HD2
  6    A       ASN       58      1HD2
  6    A       ASN       58      2HD2
  6    A       GLN       60      1HE2
  6    A       GLN       60      2HE2
  6    A       GLN       77      1HE2
  6    A       GLN       77      2HE2
  6    A       GLN       94      1HE2
  6    A       GLN       94      2HE2
  6    B       GLN        4      1HE2
  6    B       GLN        4      2HE2
  6    B       GLN       14      1HE2
  6    B       GLN       14      2HE2
  6    B       ASN       24      1HD2
  6    B       ASN       24      2HD2
  6    B       GLN       29      1HE2
  6    B       GLN       29      2HE2
  6    B       GLN       36      1HE2
  6    B       GLN       36      2HE2
  6    B       ASN       51      1HD2
  6    B       ASN       51      2HD2
  6    B       ASN       58      1HD2
  6    B       ASN       58      2HD2
  6    B       GLN       60      1HE2
  6    B       GLN       60      2HE2
  6    B       GLN       77      1HE2
  6    B       GLN       77      2HE2
  6    B       GLN       94      1HE2
  6    B       GLN       94      2HE2
  7    A       GLN        4      1HE2
  7    A       GLN        4      2HE2
  7    A       GLN       14      1HE2
  7    A       GLN       14      2HE2
  7    A       ASN       24      1HD2
  7    A       ASN       24      2HD2
  7    A       GLN       29      1HE2
  7    A       GLN       29      2HE2
  7    A       GLN       36      1HE2
  7    A       GLN       36      2HE2
  7    A       ASN       51      1HD2
  7    A       ASN       51      2HD2
  7    A       ASN       58      1HD2
  7    A       ASN       58      2HD2
  7    A       GLN       60      1HE2
  7    A       GLN       60      2HE2
  7    A       GLN       77      1HE2
  7    A       GLN       77      2HE2
  7    A       GLN       94      1HE2
  7    A       GLN       94      2HE2
  7    B       GLN        4      1HE2
  7    B       GLN        4      2HE2
  7    B       GLN       14      1HE2
  7    B       GLN       14      2HE2
  7    B       ASN       24      1HD2
  7    B       ASN       24      2HD2
  7    B       GLN       29      1HE2
  7    B       GLN       29      2HE2
  7    B       GLN       36      1HE2
  7    B       GLN       36      2HE2
  7    B       ASN       51      1HD2
  7    B       ASN       51      2HD2
  7    B       ASN       58      1HD2
  7    B       ASN       58      2HD2
  7    B       GLN       60      1HE2
  7    B       GLN       60      2HE2
  7    B       GLN       77      1HE2
  7    B       GLN       77      2HE2
  7    B       GLN       94      1HE2
  7    B       GLN       94      2HE2
  8    A       GLN        4      1HE2
  8    A       GLN        4      2HE2
  8    A       GLN       14      1HE2
  8    A       GLN       14      2HE2
  8    A       ASN       24      1HD2
  8    A       ASN       24      2HD2
  8    A       GLN       29      1HE2
  8    A       GLN       29      2HE2
  8    A       GLN       36      1HE2
  8    A       GLN       36      2HE2
  8    A       ASN       51      1HD2
  8    A       ASN       51      2HD2
  8    A       ASN       58      1HD2
  8    A       ASN       58      2HD2
  8    A       GLN       60      1HE2
  8    A       GLN       60      2HE2
  8    A       GLN       77      1HE2
  8    A       GLN       77      2HE2
  8    A       GLN       94      1HE2
  8    A       GLN       94      2HE2
  8    B       GLN        4      1HE2
  8    B       GLN        4      2HE2
  8    B       GLN       14      1HE2
  8    B       GLN       14      2HE2
  8    B       ASN       24      1HD2
  8    B       ASN       24      2HD2
  8    B       GLN       29      1HE2
  8    B       GLN       29      2HE2
  8    B       GLN       36      1HE2
  8    B       GLN       36      2HE2
  8    B       ASN       51      1HD2
  8    B       ASN       51      2HD2
  8    B       ASN       58      1HD2
  8    B       ASN       58      2HD2
  8    B       GLN       60      1HE2
  8    B       GLN       60      2HE2
  8    B       GLN       77      1HE2
  8    B       GLN       77      2HE2
  8    B       GLN       94      1HE2
  8    B       GLN       94      2HE2
  9    A       GLN        4      1HE2
  9    A       GLN        4      2HE2
  9    A       GLN       14      1HE2
  9    A       GLN       14      2HE2
  9    A       ASN       24      1HD2
  9    A       ASN       24      2HD2
  9    A       GLN       29      1HE2
  9    A       GLN       29      2HE2
  9    A       GLN       36      1HE2
  9    A       GLN       36      2HE2
  9    A       ASN       51      1HD2
  9    A       ASN       51      2HD2
  9    A       ASN       58      1HD2
  9    A       ASN       58      2HD2
  9    A       GLN       60      1HE2
  9    A       GLN       60      2HE2
  9    A       GLN       77      1HE2
  9    A       GLN       77      2HE2
  9    A       GLN       94      1HE2
  9    A       GLN       94      2HE2
  9    B       GLN        4      1HE2
  9    B       GLN        4      2HE2
  9    B       GLN       14      1HE2
  9    B       GLN       14      2HE2
  9    B       ASN       24      1HD2
  9    B       ASN       24      2HD2
  9    B       GLN       29      1HE2
  9    B       GLN       29      2HE2
  9    B       GLN       36      1HE2
  9    B       GLN       36      2HE2
  9    B       ASN       51      1HD2
  9    B       ASN       51      2HD2
  9    B       ASN       58      1HD2
  9    B       ASN       58      2HD2
  9    B       GLN       60      1HE2
  9    B       GLN       60      2HE2
  9    B       GLN       77      1HE2
  9    B       GLN       77      2HE2
  9    B       GLN       94      1HE2
  9    B       GLN       94      2HE2
 10    A       GLN        4      1HE2
 10    A       GLN        4      2HE2
 10    A       GLN       14      1HE2
 10    A       GLN       14      2HE2
 10    A       ASN       24      1HD2
 10    A       ASN       24      2HD2
 10    A       GLN       29      1HE2
 10    A       GLN       29      2HE2
 10    A       GLN       36      1HE2
 10    A       GLN       36      2HE2
 10    A       ASN       51      1HD2
 10    A       ASN       51      2HD2
 10    A       ASN       58      1HD2
 10    A       ASN       58      2HD2
 10    A       GLN       60      1HE2
 10    A       GLN       60      2HE2
 10    A       GLN       77      1HE2
 10    A       GLN       77      2HE2
 10    A       GLN       94      1HE2
 10    A       GLN       94      2HE2
 10    B       GLN        4      1HE2
 10    B       GLN        4      2HE2
 10    B       GLN       14      1HE2
 10    B       GLN       14      2HE2
 10    B       ASN       24      1HD2
 10    B       ASN       24      2HD2
 10    B       GLN       29      1HE2
 10    B       GLN       29      2HE2
 10    B       GLN       36      1HE2
 10    B       GLN       36      2HE2
 10    B       ASN       51      1HD2
 10    B       ASN       51      2HD2
 10    B       ASN       58      1HD2
 10    B       ASN       58      2HD2
 10    B       GLN       60      1HE2
 10    B       GLN       60      2HE2
 10    B       GLN       77      1HE2
 10    B       GLN       77      2HE2
 10    B       GLN       94      1HE2
 10    B       GLN       94      2HE2
 11    A       GLN        4      1HE2
 11    A       GLN        4      2HE2
 11    A       GLN       14      1HE2
 11    A       GLN       14      2HE2
 11    A       ASN       24      1HD2
 11    A       ASN       24      2HD2
 11    A       GLN       29      1HE2
 11    A       GLN       29      2HE2
 11    A       GLN       36      1HE2
 11    A       GLN       36      2HE2
 11    A       ASN       51      1HD2
 11    A       ASN       51      2HD2
 11    A       ASN       58      1HD2
 11    A       ASN       58      2HD2
 11    A       GLN       60      1HE2
 11    A       GLN       60      2HE2
 11    A       GLN       77      1HE2
 11    A       GLN       77      2HE2
 11    A       GLN       94      1HE2
 11    A       GLN       94      2HE2
 11    B       GLN        4      1HE2
 11    B       GLN        4      2HE2
 11    B       GLN       14      1HE2
 11    B       GLN       14      2HE2
 11    B       ASN       24      1HD2
 11    B       ASN       24      2HD2
 11    B       GLN       29      1HE2
 11    B       GLN       29      2HE2
 11    B       GLN       36      1HE2
 11    B       GLN       36      2HE2
 11    B       ASN       51      1HD2
 11    B       ASN       51      2HD2
 11    B       ASN       58      1HD2
 11    B       ASN       58      2HD2
 11    B       GLN       60      1HE2
 11    B       GLN       60      2HE2
 11    B       GLN       77      1HE2
 11    B       GLN       77      2HE2
 11    B       GLN       94      1HE2
 11    B       GLN       94      2HE2
 12    A       GLN        4      1HE2
 12    A       GLN        4      2HE2
 12    A       GLN       14      1HE2
 12    A       GLN       14      2HE2
 12    A       ASN       24      1HD2
 12    A       ASN       24      2HD2
 12    A       GLN       29      1HE2
 12    A       GLN       29      2HE2
 12    A       GLN       36      1HE2
 12    A       GLN       36      2HE2
 12    A       ASN       51      1HD2
 12    A       ASN       51      2HD2
 12    A       ASN       58      1HD2
 12    A       ASN       58      2HD2
 12    A       GLN       60      1HE2
 12    A       GLN       60      2HE2
 12    A       GLN       77      1HE2
 12    A       GLN       77      2HE2
 12    A       GLN       94      1HE2
 12    A       GLN       94      2HE2
 12    B       GLN        4      1HE2
 12    B       GLN        4      2HE2
 12    B       GLN       14      1HE2
 12    B       GLN       14      2HE2
 12    B       ASN       24      1HD2
 12    B       ASN       24      2HD2
 12    B       GLN       29      1HE2
 12    B       GLN       29      2HE2
 12    B       GLN       36      1HE2
 12    B       GLN       36      2HE2
 12    B       ASN       51      1HD2
 12    B       ASN       51      2HD2
 12    B       ASN       58      1HD2
 12    B       ASN       58      2HD2
 12    B       GLN       60      1HE2
 12    B       GLN       60      2HE2
 12    B       GLN       77      1HE2
 12    B       GLN       77      2HE2
 12    B       GLN       94      1HE2
 12    B       GLN       94      2HE2
 13    A       GLN        4      1HE2
 13    A       GLN        4      2HE2
 13    A       GLN       14      1HE2
 13    A       GLN       14      2HE2
 13    A       ASN       24      1HD2
 13    A       ASN       24      2HD2
 13    A       GLN       29      1HE2
 13    A       GLN       29      2HE2
 13    A       GLN       36      1HE2
 13    A       GLN       36      2HE2
 13    A       ASN       51      1HD2
 13    A       ASN       51      2HD2
 13    A       ASN       58      1HD2
 13    A       ASN       58      2HD2
 13    A       GLN       60      1HE2
 13    A       GLN       60      2HE2
 13    A       GLN       77      1HE2
 13    A       GLN       77      2HE2
 13    A       GLN       94      1HE2
 13    A       GLN       94      2HE2
 13    B       GLN        4      1HE2
 13    B       GLN        4      2HE2
 13    B       GLN       14      1HE2
 13    B       GLN       14      2HE2
 13    B       ASN       24      1HD2
 13    B       ASN       24      2HD2
 13    B       GLN       29      1HE2
 13    B       GLN       29      2HE2
 13    B       GLN       36      1HE2
 13    B       GLN       36      2HE2
 13    B       ASN       51      1HD2
 13    B       ASN       51      2HD2
 13    B       ASN       58      1HD2
 13    B       ASN       58      2HD2
 13    B       GLN       60      1HE2
 13    B       GLN       60      2HE2
 13    B       GLN       77      1HE2
 13    B       GLN       77      2HE2
 13    B       GLN       94      1HE2
 13    B       GLN       94      2HE2
 14    A       GLN        4      1HE2
 14    A       GLN        4      2HE2
 14    A       GLN       14      1HE2
 14    A       GLN       14      2HE2
 14    A       ASN       24      1HD2
 14    A       ASN       24      2HD2
 14    A       GLN       29      1HE2
 14    A       GLN       29      2HE2
 14    A       GLN       36      1HE2
 14    A       GLN       36      2HE2
 14    A       ASN       51      1HD2
 14    A       ASN       51      2HD2
 14    A       ASN       58      1HD2
 14    A       ASN       58      2HD2
 14    A       GLN       60      1HE2
 14    A       GLN       60      2HE2
 14    A       GLN       77      1HE2
 14    A       GLN       77      2HE2
 14    A       GLN       94      1HE2
 14    A       GLN       94      2HE2
 14    B       GLN        4      1HE2
 14    B       GLN        4      2HE2
 14    B       GLN       14      1HE2
 14    B       GLN       14      2HE2
 14    B       ASN       24      1HD2
 14    B       ASN       24      2HD2
 14    B       GLN       29      1HE2
 14    B       GLN       29      2HE2
 14    B       GLN       36      1HE2
 14    B       GLN       36      2HE2
 14    B       ASN       51      1HD2
 14    B       ASN       51      2HD2
 14    B       ASN       58      1HD2
 14    B       ASN       58      2HD2
 14    B       GLN       60      1HE2
 14    B       GLN       60      2HE2
 14    B       GLN       77      1HE2
 14    B       GLN       77      2HE2
 14    B       GLN       94      1HE2
 14    B       GLN       94      2HE2
 15    A       GLN        4      1HE2
 15    A       GLN        4      2HE2
 15    A       GLN       14      1HE2
 15    A       GLN       14      2HE2
 15    A       ASN       24      1HD2
 15    A       ASN       24      2HD2
 15    A       GLN       29      1HE2
 15    A       GLN       29      2HE2
 15    A       GLN       36      1HE2
 15    A       GLN       36      2HE2
 15    A       ASN       51      1HD2
 15    A       ASN       51      2HD2
 15    A       ASN       58      1HD2
 15    A       ASN       58      2HD2
 15    A       GLN       60      1HE2
 15    A       GLN       60      2HE2
 15    A       GLN       77      1HE2
 15    A       GLN       77      2HE2
 15    A       GLN       94      1HE2
 15    A       GLN       94      2HE2
 15    B       GLN        4      1HE2
 15    B       GLN        4      2HE2
 15    B       GLN       14      1HE2
 15    B       GLN       14      2HE2
 15    B       ASN       24      1HD2
 15    B       ASN       24      2HD2
 15    B       GLN       29      1HE2
 15    B       GLN       29      2HE2
 15    B       GLN       36      1HE2
 15    B       GLN       36      2HE2
 15    B       ASN       51      1HD2
 15    B       ASN       51      2HD2
 15    B       ASN       58      1HD2
 15    B       ASN       58      2HD2
 15    B       GLN       60      1HE2
 15    B       GLN       60      2HE2
 15    B       GLN       77      1HE2
 15    B       GLN       77      2HE2
 15    B       GLN       94      1HE2
 15    B       GLN       94      2HE2
 16    A       GLN        4      1HE2
 16    A       GLN        4      2HE2
 16    A       GLN       14      1HE2
 16    A       GLN       14      2HE2
 16    A       ASN       24      1HD2
 16    A       ASN       24      2HD2
 16    A       GLN       29      1HE2
 16    A       GLN       29      2HE2
 16    A       GLN       36      1HE2
 16    A       GLN       36      2HE2
 16    A       ASN       51      1HD2
 16    A       ASN       51      2HD2
 16    A       ASN       58      1HD2
 16    A       ASN       58      2HD2
 16    A       GLN       60      1HE2
 16    A       GLN       60      2HE2
 16    A       GLN       77      1HE2
 16    A       GLN       77      2HE2
 16    A       GLN       94      1HE2
 16    A       GLN       94      2HE2
 16    B       GLN        4      1HE2
 16    B       GLN        4      2HE2
 16    B       GLN       14      1HE2
 16    B       GLN       14      2HE2
 16    B       ASN       24      1HD2
 16    B       ASN       24      2HD2
 16    B       GLN       29      1HE2
 16    B       GLN       29      2HE2
 16    B       GLN       36      1HE2
 16    B       GLN       36      2HE2
 16    B       ASN       51      1HD2
 16    B       ASN       51      2HD2
 16    B       ASN       58      1HD2
 16    B       ASN       58      2HD2
 16    B       GLN       60      1HE2
 16    B       GLN       60      2HE2
 16    B       GLN       77      1HE2
 16    B       GLN       77      2HE2
 16    B       GLN       94      1HE2
 16    B       GLN       94      2HE2
 17    A       GLN        4      1HE2
 17    A       GLN        4      2HE2
 17    A       GLN       14      1HE2
 17    A       GLN       14      2HE2
 17    A       ASN       24      1HD2
 17    A       ASN       24      2HD2
 17    A       GLN       29      1HE2
 17    A       GLN       29      2HE2
 17    A       GLN       36      1HE2
 17    A       GLN       36      2HE2
 17    A       ASN       51      1HD2
 17    A       ASN       51      2HD2
 17    A       ASN       58      1HD2
 17    A       ASN       58      2HD2
 17    A       GLN       60      1HE2
 17    A       GLN       60      2HE2
 17    A       GLN       77      1HE2
 17    A       GLN       77      2HE2
 17    A       GLN       94      1HE2
 17    A       GLN       94      2HE2
 17    B       GLN        4      1HE2
 17    B       GLN        4      2HE2
 17    B       GLN       14      1HE2
 17    B       GLN       14      2HE2
 17    B       ASN       24      1HD2
 17    B       ASN       24      2HD2
 17    B       GLN       29      1HE2
 17    B       GLN       29      2HE2
 17    B       GLN       36      1HE2
 17    B       GLN       36      2HE2
 17    B       ASN       51      1HD2
 17    B       ASN       51      2HD2
 17    B       ASN       58      1HD2
 17    B       ASN       58      2HD2
 17    B       GLN       60      1HE2
 17    B       GLN       60      2HE2
 17    B       GLN       77      1HE2
 17    B       GLN       77      2HE2
 17    B       GLN       94      1HE2
 17    B       GLN       94      2HE2
 18    A       GLN        4      1HE2
 18    A       GLN        4      2HE2
 18    A       GLN       14      1HE2
 18    A       GLN       14      2HE2
 18    A       ASN       24      1HD2
 18    A       ASN       24      2HD2
 18    A       GLN       29      1HE2
 18    A       GLN       29      2HE2
 18    A       GLN       36      1HE2
 18    A       GLN       36      2HE2
 18    A       ASN       51      1HD2
 18    A       ASN       51      2HD2
 18    A       ASN       58      1HD2
 18    A       ASN       58      2HD2
 18    A       GLN       60      1HE2
 18    A       GLN       60      2HE2
 18    A       GLN       77      1HE2
 18    A       GLN       77      2HE2
 18    A       GLN       94      1HE2
 18    A       GLN       94      2HE2
 18    B       GLN        4      1HE2
 18    B       GLN        4      2HE2
 18    B       GLN       14      1HE2
 18    B       GLN       14      2HE2
 18    B       ASN       24      1HD2
 18    B       ASN       24      2HD2
 18    B       GLN       29      1HE2
 18    B       GLN       29      2HE2
 18    B       GLN       36      1HE2
 18    B       GLN       36      2HE2
 18    B       ASN       51      1HD2
 18    B       ASN       51      2HD2
 18    B       ASN       58      1HD2
 18    B       ASN       58      2HD2
 18    B       GLN       60      1HE2
 18    B       GLN       60      2HE2
 18    B       GLN       77      1HE2
 18    B       GLN       77      2HE2
 18    B       GLN       94      1HE2
 18    B       GLN       94      2HE2

OTHER IMPORTANT ISSUES



==> The following residues have missing atoms:                        

     RES MOD#C SEQ          ATOMS

     ASP(  1 A   6)         HD2 
     ASP(  1 A  13)         HD2 
     ASP(  1 A  32)         HD2 
     GLU(  1 A  38)         HE2 
     GLU(  1 A  42)         HE2 
     GLU(  1 A  69)         HE2 
     GLU(  1 A  73)         HE2 
     GLU(  1 A  84)         HE2 
     ASP(  1 A  85)         HD2 
     ASP(  1 A  98)         HD2 
     GLU(  1 A  99)         HE2 
     HIS(  1 A 100)         HD1 
     GLU(  1 A 102)         HE2 
     HIS(  1 A 103)         HE2 
     HIS(  1 A 104)         HE2 
     HIS(  1 A 105)         HE2 
     HIS(  1 A 106)         HD1 
     HIS(  1 A 107)         HD1 
     HIS(  1 A 108)         HE2 
     ASP(  1 B   6)         HD2 
     ASP(  1 B  13)         HD2 
     ASP(  1 B  32)         HD2 
     GLU(  1 B  38)         HE2 
     GLU(  1 B  42)         HE2 
     GLU(  1 B  69)         HE2 
     GLU(  1 B  73)         HE2 
     GLU(  1 B  84)         HE2 
     ASP(  1 B  85)         HD2 
     ASP(  1 B  98)         HD2 
     GLU(  1 B  99)         HE2 
     HIS(  1 B 100)         HD1 
     GLU(  1 B 102)         HE2 
     HIS(  1 B 103)         HE2 
     HIS(  1 B 104)         HE2 
     HIS(  1 B 105)         HE2 
     HIS(  1 B 106)         HD1 
     HIS(  1 B 107)         HD1 
     HIS(  1 B 108)         HE2 
     ASP(  2 A   6)         HD2 
     ASP(  2 A  13)         HD2 
     ASP(  2 A  32)         HD2 
     GLU(  2 A  38)         HE2 
     GLU(  2 A  42)         HE2 
     GLU(  2 A  69)         HE2 
     GLU(  2 A  73)         HE2 
     GLU(  2 A  84)         HE2 
     ASP(  2 A  85)         HD2 
     ASP(  2 A  98)         HD2 
     GLU(  2 A  99)         HE2 
     HIS(  2 A 100)         HD1 
     GLU(  2 A 102)         HE2 
     HIS(  2 A 103)         HD1 
     HIS(  2 A 104)         HD1 
     HIS(  2 A 105)         HE2 
     HIS(  2 A 106)         HD1 
     HIS(  2 A 107)         HE2 
     HIS(  2 A 108)         HE2 
     ASP(  2 B   6)         HD2 
     ASP(  2 B  13)         HD2 
     ASP(  2 B  32)         HD2 
     GLU(  2 B  38)         HE2 
     GLU(  2 B  42)         HE2 
     GLU(  2 B  69)         HE2 
     GLU(  2 B  73)         HE2 
     GLU(  2 B  84)         HE2 
     ASP(  2 B  85)         HD2 
     ASP(  2 B  98)         HD2 
     GLU(  2 B  99)         HE2 
     HIS(  2 B 100)         HD1 
     GLU(  2 B 102)         HE2 
     HIS(  2 B 103)         HD1 
     HIS(  2 B 104)         HD1 
     HIS(  2 B 105)         HE2 
     HIS(  2 B 106)         HD1 
     HIS(  2 B 107)         HE2 
     HIS(  2 B 108)         HE2 
     ASP(  3 A   6)         HD2 
     ASP(  3 A  13)         HD2 
     ASP(  3 A  32)         HD2 
     GLU(  3 A  38)         HE2 
     GLU(  3 A  42)         HE2 
     GLU(  3 A  69)         HE2 
     GLU(  3 A  73)         HE2 
     GLU(  3 A  84)         HE2 
     ASP(  3 A  85)         HD2 
     ASP(  3 A  98)         HD2 
     GLU(  3 A  99)         HE2 
     HIS(  3 A 100)         HD1 
     GLU(  3 A 102)         HE2 
     HIS(  3 A 103)         HD1 
     HIS(  3 A 104)         HE2 
     HIS(  3 A 105)         HD1 
     HIS(  3 A 106)         HD1 
     HIS(  3 A 107)         HE2 
     HIS(  3 A 108)         HE2 
     ASP(  3 B   6)         HD2 
     ASP(  3 B  13)         HD2 
     ASP(  3 B  32)         HD2 
     GLU(  3 B  38)         HE2 
     GLU(  3 B  42)         HE2 
     GLU(  3 B  69)         HE2 
     GLU(  3 B  73)         HE2 
     GLU(  3 B  84)         HE2 
     ASP(  3 B  85)         HD2 
     ASP(  3 B  98)         HD2 
     GLU(  3 B  99)         HE2 
     HIS(  3 B 100)         HD1 
     GLU(  3 B 102)         HE2 
     HIS(  3 B 103)         HD1 
     HIS(  3 B 104)         HE2 
     HIS(  3 B 105)         HD1 
     HIS(  3 B 106)         HD1 
     HIS(  3 B 107)         HE2 
     HIS(  3 B 108)         HE2 
     ASP(  4 A   6)         HD2 
     ASP(  4 A  13)         HD2 
     ASP(  4 A  32)         HD2 
     GLU(  4 A  38)         HE2 
     GLU(  4 A  42)         HE2 
     GLU(  4 A  69)         HE2 
     GLU(  4 A  73)         HE2 
     GLU(  4 A  84)         HE2 
     ASP(  4 A  85)         HD2 
     ASP(  4 A  98)         HD2 
     GLU(  4 A  99)         HE2 
     HIS(  4 A 100)         HD1 
     GLU(  4 A 102)         HE2 
     HIS(  4 A 103)         HE2 
     HIS(  4 A 104)         HD1 
     HIS(  4 A 105)         HD1 
     HIS(  4 A 106)         HD1 
     HIS(  4 A 107)         HE2 
     HIS(  4 A 108)         HD1 
     ASP(  4 B   6)         HD2 
     ASP(  4 B  13)         HD2 
     ASP(  4 B  32)         HD2 
     GLU(  4 B  38)         HE2 
     GLU(  4 B  42)         HE2 
     GLU(  4 B  69)         HE2 
     GLU(  4 B  73)         HE2 
     GLU(  4 B  84)         HE2 
     ASP(  4 B  85)         HD2 
     ASP(  4 B  98)         HD2 
     GLU(  4 B  99)         HE2 
     HIS(  4 B 100)         HD1 
     GLU(  4 B 102)         HE2 
     HIS(  4 B 103)         HE2 
     HIS(  4 B 104)         HD1 
     HIS(  4 B 105)         HD1 
     HIS(  4 B 106)         HD1 
     HIS(  4 B 107)         HE2 
     HIS(  4 B 108)         HD1 
     ASP(  5 A   6)         HD2 
     ASP(  5 A  13)         HD2 
     ASP(  5 A  32)         HD2 
     GLU(  5 A  38)         HE2 
     GLU(  5 A  42)         HE2 
     GLU(  5 A  69)         HE2 
     GLU(  5 A  73)         HE2 
     GLU(  5 A  84)         HE2 
     ASP(  5 A  85)         HD2 
     ASP(  5 A  98)         HD2 
     GLU(  5 A  99)         HE2 
     HIS(  5 A 100)         HD1 
     GLU(  5 A 102)         HE2 
     HIS(  5 A 103)         HD1 
     HIS(  5 A 104)         HD1 
     HIS(  5 A 105)         HE2 
     HIS(  5 A 106)         HD1 
     HIS(  5 A 107)         HD1 
     HIS(  5 A 108)         HD1 
     ASP(  5 B   6)         HD2 
     ASP(  5 B  13)         HD2 
     ASP(  5 B  32)         HD2 
     GLU(  5 B  38)         HE2 
     GLU(  5 B  42)         HE2 
     GLU(  5 B  69)         HE2 
     GLU(  5 B  73)         HE2 
     GLU(  5 B  84)         HE2 
     ASP(  5 B  85)         HD2 
     ASP(  5 B  98)         HD2 
     GLU(  5 B  99)         HE2 
     HIS(  5 B 100)         HD1 
     GLU(  5 B 102)         HE2 
     HIS(  5 B 103)         HD1 
     HIS(  5 B 104)         HD1 
     HIS(  5 B 105)         HE2 
     HIS(  5 B 106)         HD1 
     HIS(  5 B 107)         HD1 
     HIS(  5 B 108)         HD1 
     ASP(  6 A   6)         HD2 
     ASP(  6 A  13)         HD2 
     ASP(  6 A  32)         HD2 
     GLU(  6 A  38)         HE2 
     GLU(  6 A  42)         HE2 
     GLU(  6 A  69)         HE2 
     GLU(  6 A  73)         HE2 
     GLU(  6 A  84)         HE2 
     ASP(  6 A  85)         HD2 
     ASP(  6 A  98)         HD2 
     GLU(  6 A  99)         HE2 
     HIS(  6 A 100)         HD1 
     GLU(  6 A 102)         HE2 
     HIS(  6 A 103)         HE2 
     HIS(  6 A 104)         HE2 
     HIS(  6 A 105)         HE2 
     HIS(  6 A 106)         HD1 
     HIS(  6 A 107)         HD1 
     HIS(  6 A 108)         HE2 
     ASP(  6 B   6)         HD2 
     ASP(  6 B  13)         HD2 
     ASP(  6 B  32)         HD2 
     GLU(  6 B  38)         HE2 
     GLU(  6 B  42)         HE2 
     GLU(  6 B  69)         HE2 
     GLU(  6 B  73)         HE2 
     GLU(  6 B  84)         HE2 
     ASP(  6 B  85)         HD2 
     ASP(  6 B  98)         HD2 
     GLU(  6 B  99)         HE2 
     HIS(  6 B 100)         HD1 
     GLU(  6 B 102)         HE2 
     HIS(  6 B 103)         HE2 
     HIS(  6 B 104)         HE2 
     HIS(  6 B 105)         HE2 
     HIS(  6 B 106)         HD1 
     HIS(  6 B 107)         HD1 
     HIS(  6 B 108)         HE2 
     ASP(  7 A   6)         HD2 
     ASP(  7 A  13)         HD2 
     ASP(  7 A  32)         HD2 
     GLU(  7 A  38)         HE2 
     GLU(  7 A  42)         HE2 
     GLU(  7 A  69)         HE2 
     GLU(  7 A  73)         HE2 
     GLU(  7 A  84)         HE2 
     ASP(  7 A  85)         HD2 
     ASP(  7 A  98)         HD2 
     GLU(  7 A  99)         HE2 
     HIS(  7 A 100)         HD1 
     GLU(  7 A 102)         HE2 
     HIS(  7 A 103)         HE2 
     HIS(  7 A 104)         HE2 
     HIS(  7 A 105)         HE2 
     HIS(  7 A 106)         HD1 
     HIS(  7 A 107)         HE2 
     HIS(  7 A 108)         HE2 
     ASP(  7 B   6)         HD2 
     ASP(  7 B  13)         HD2 
     ASP(  7 B  32)         HD2 
     GLU(  7 B  38)         HE2 
     GLU(  7 B  42)         HE2 
     GLU(  7 B  69)         HE2 
     GLU(  7 B  73)         HE2 
     GLU(  7 B  84)         HE2 
     ASP(  7 B  85)         HD2 
     ASP(  7 B  98)         HD2 
     GLU(  7 B  99)         HE2 
     HIS(  7 B 100)         HD1 
     GLU(  7 B 102)         HE2 
     HIS(  7 B 103)         HE2 
     HIS(  7 B 104)         HE2 
     HIS(  7 B 105)         HE2 
     HIS(  7 B 106)         HD1 
     HIS(  7 B 107)         HE2 
     HIS(  7 B 108)         HE2 
     ASP(  8 A   6)         HD2 
     ASP(  8 A  13)         HD2 
     ASP(  8 A  32)         HD2 
     GLU(  8 A  38)         HE2 
     GLU(  8 A  42)         HE2 
     GLU(  8 A  69)         HE2 
     GLU(  8 A  73)         HE2 
     GLU(  8 A  84)         HE2 
     ASP(  8 A  85)         HD2 
     ASP(  8 A  98)         HD2 
     GLU(  8 A  99)         HE2 
     HIS(  8 A 100)         HD1 
     GLU(  8 A 102)         HE2 
     HIS(  8 A 103)         HE2 
     HIS(  8 A 104)         HE2 
     HIS(  8 A 105)         HE2 
     HIS(  8 A 106)         HE2 
     HIS(  8 A 107)         HD1 
     HIS(  8 A 108)         HE2 
     ASP(  8 B   6)         HD2 
     ASP(  8 B  13)         HD2 
     ASP(  8 B  32)         HD2 
     GLU(  8 B  38)         HE2 
     GLU(  8 B  42)         HE2 
     GLU(  8 B  69)         HE2 
     GLU(  8 B  73)         HE2 
     GLU(  8 B  84)         HE2 
     ASP(  8 B  85)         HD2 
     ASP(  8 B  98)         HD2 
     GLU(  8 B  99)         HE2 
     HIS(  8 B 100)         HD1 
     GLU(  8 B 102)         HE2 
     HIS(  8 B 103)         HE2 
     HIS(  8 B 104)         HE2 
     HIS(  8 B 105)         HE2 
     HIS(  8 B 106)         HE2 
     HIS(  8 B 107)         HD1 
     HIS(  8 B 108)         HE2 
     ASP(  9 A   6)         HD2 
     ASP(  9 A  13)         HD2 
     ASP(  9 A  32)         HD2 
     GLU(  9 A  38)         HE2 
     GLU(  9 A  42)         HE2 
     GLU(  9 A  69)         HE2 
     GLU(  9 A  73)         HE2 
     GLU(  9 A  84)         HE2 
     ASP(  9 A  85)         HD2 
     ASP(  9 A  98)         HD2 
     GLU(  9 A  99)         HE2 
     HIS(  9 A 100)         HD1 
     GLU(  9 A 102)         HE2 
     HIS(  9 A 103)         HD1 
     HIS(  9 A 104)         HD1 
     HIS(  9 A 105)         HE2 
     HIS(  9 A 106)         HE2 
     HIS(  9 A 107)         HD1 
     HIS(  9 A 108)         HE2 
     ASP(  9 B   6)         HD2 
     ASP(  9 B  13)         HD2 
     ASP(  9 B  32)         HD2 
     GLU(  9 B  38)         HE2 
     GLU(  9 B  42)         HE2 
     GLU(  9 B  69)         HE2 
     GLU(  9 B  73)         HE2 
     GLU(  9 B  84)         HE2 
     ASP(  9 B  85)         HD2 
     ASP(  9 B  98)         HD2 
     GLU(  9 B  99)         HE2 
     HIS(  9 B 100)         HD1 
     GLU(  9 B 102)         HE2 
     HIS(  9 B 103)         HD1 
     HIS(  9 B 104)         HD1 
     HIS(  9 B 105)         HE2 
     HIS(  9 B 106)         HE2 
     HIS(  9 B 107)         HD1 
     HIS(  9 B 108)         HE2 
     ASP( 10 A   6)         HD2 
     ASP( 10 A  13)         HD2 
     ASP( 10 A  32)         HD2 
     GLU( 10 A  38)         HE2 
     GLU( 10 A  42)         HE2 
     GLU( 10 A  69)         HE2 
     GLU( 10 A  73)         HE2 
     GLU( 10 A  84)         HE2 
     ASP( 10 A  85)         HD2 
     ASP( 10 A  98)         HD2 
     GLU( 10 A  99)         HE2 
     HIS( 10 A 100)         HD1 
     GLU( 10 A 102)         HE2 
     HIS( 10 A 103)         HE2 
     HIS( 10 A 104)         HE2 
     HIS( 10 A 105)         HE2 
     HIS( 10 A 106)         HE2 
     HIS( 10 A 107)         HE2 
     HIS( 10 A 108)         HD1 
     ASP( 10 B   6)         HD2 
     ASP( 10 B  13)         HD2 
     ASP( 10 B  32)         HD2 
     GLU( 10 B  38)         HE2 
     GLU( 10 B  42)         HE2 
     GLU( 10 B  69)         HE2 
     GLU( 10 B  73)         HE2 
     GLU( 10 B  84)         HE2 
     ASP( 10 B  85)         HD2 
     ASP( 10 B  98)         HD2 
     GLU( 10 B  99)         HE2 
     HIS( 10 B 100)         HD1 
     GLU( 10 B 102)         HE2 
     HIS( 10 B 103)         HE2 
     HIS( 10 B 104)         HE2 
     HIS( 10 B 105)         HE2 
     HIS( 10 B 106)         HE2 
     HIS( 10 B 107)         HE2 
     HIS( 10 B 108)         HD1 
     ASP( 11 A   6)         HD2 
     ASP( 11 A  13)         HD2 
     ASP( 11 A  32)         HD2 
     GLU( 11 A  38)         HE2 
     GLU( 11 A  42)         HE2 
     GLU( 11 A  69)         HE2 
     GLU( 11 A  73)         HE2 
     GLU( 11 A  84)         HE2 
     ASP( 11 A  85)         HD2 
     ASP( 11 A  98)         HD2 
     GLU( 11 A  99)         HE2 
     HIS( 11 A 100)         HD1 
     GLU( 11 A 102)         HE2 
     HIS( 11 A 103)         HD1 
     HIS( 11 A 104)         HD1 
     HIS( 11 A 105)         HD1 
     HIS( 11 A 106)         HD1 
     HIS( 11 A 107)         HE2 
     HIS( 11 A 108)         HD1 
     ASP( 11 B   6)         HD2 
     ASP( 11 B  13)         HD2 
     ASP( 11 B  32)         HD2 
     GLU( 11 B  38)         HE2 
     GLU( 11 B  42)         HE2 
     GLU( 11 B  69)         HE2 
     GLU( 11 B  73)         HE2 
     GLU( 11 B  84)         HE2 
     ASP( 11 B  85)         HD2 
     ASP( 11 B  98)         HD2 
     GLU( 11 B  99)         HE2 
     HIS( 11 B 100)         HD1 
     GLU( 11 B 102)         HE2 
     HIS( 11 B 103)         HD1 
     HIS( 11 B 104)         HD1 
     HIS( 11 B 105)         HD1 
     HIS( 11 B 106)         HD1 
     HIS( 11 B 107)         HE2 
     HIS( 11 B 108)         HD1 
     ASP( 12 A   6)         HD2 
     ASP( 12 A  13)         HD2 
     ASP( 12 A  32)         HD2 
     GLU( 12 A  38)         HE2 
     GLU( 12 A  42)         HE2 
     GLU( 12 A  69)         HE2 
     GLU( 12 A  73)         HE2 
     GLU( 12 A  84)         HE2 
     ASP( 12 A  85)         HD2 
     ASP( 12 A  98)         HD2 
     GLU( 12 A  99)         HE2 
     HIS( 12 A 100)         HD1 
     GLU( 12 A 102)         HE2 
     HIS( 12 A 103)         HD1 
     HIS( 12 A 104)         HD1 
     HIS( 12 A 105)         HE2 
     HIS( 12 A 106)         HE2 
     HIS( 12 A 107)         HD1 
     HIS( 12 A 108)         HD1 
     ASP( 12 B   6)         HD2 
     ASP( 12 B  13)         HD2 
     ASP( 12 B  32)         HD2 
     GLU( 12 B  38)         HE2 
     GLU( 12 B  42)         HE2 
     GLU( 12 B  69)         HE2 
     GLU( 12 B  73)         HE2 
     GLU( 12 B  84)         HE2 
     ASP( 12 B  85)         HD2 
     ASP( 12 B  98)         HD2 
     GLU( 12 B  99)         HE2 
     HIS( 12 B 100)         HD1 
     GLU( 12 B 102)         HE2 
     HIS( 12 B 103)         HD1 
     HIS( 12 B 104)         HD1 
     HIS( 12 B 105)         HE2 
     HIS( 12 B 106)         HE2 
     HIS( 12 B 107)         HD1 
     HIS( 12 B 108)         HD1 
     ASP( 13 A   6)         HD2 
     ASP( 13 A  13)         HD2 
     ASP( 13 A  32)         HD2 
     GLU( 13 A  38)         HE2 
     GLU( 13 A  42)         HE2 
     GLU( 13 A  69)         HE2 
     GLU( 13 A  73)         HE2 
     GLU( 13 A  84)         HE2 
     ASP( 13 A  85)         HD2 
     ASP( 13 A  98)         HD2 
     GLU( 13 A  99)         HE2 
     HIS( 13 A 100)         HD1 
     GLU( 13 A 102)         HE2 
     HIS( 13 A 103)         HE2 
     HIS( 13 A 104)         HD1 
     HIS( 13 A 105)         HD1 
     HIS( 13 A 106)         HE2 
     HIS( 13 A 107)         HE2 
     HIS( 13 A 108)         HE2 
     ASP( 13 B   6)         HD2 
     ASP( 13 B  13)         HD2 
     ASP( 13 B  32)         HD2 
     GLU( 13 B  38)         HE2 
     GLU( 13 B  42)         HE2 
     GLU( 13 B  69)         HE2 
     GLU( 13 B  73)         HE2 
     GLU( 13 B  84)         HE2 
     ASP( 13 B  85)         HD2 
     ASP( 13 B  98)         HD2 
     GLU( 13 B  99)         HE2 
     HIS( 13 B 100)         HD1 
     GLU( 13 B 102)         HE2 
     HIS( 13 B 103)         HE2 
     HIS( 13 B 104)         HD1 
     HIS( 13 B 105)         HD1 
     HIS( 13 B 106)         HE2 
     HIS( 13 B 107)         HE2 
     HIS( 13 B 108)         HE2 
     ASP( 14 A   6)         HD2 
     ASP( 14 A  13)         HD2 
     ASP( 14 A  32)         HD2 
     GLU( 14 A  38)         HE2 
     GLU( 14 A  42)         HE2 
     GLU( 14 A  69)         HE2 
     GLU( 14 A  73)         HE2 
     GLU( 14 A  84)         HE2 
     ASP( 14 A  85)         HD2 
     ASP( 14 A  98)         HD2 
     GLU( 14 A  99)         HE2 
     HIS( 14 A 100)         HD1 
     GLU( 14 A 102)         HE2 
     HIS( 14 A 103)         HE2 
     HIS( 14 A 104)         HE2 
     HIS( 14 A 105)         HE2 
     HIS( 14 A 106)         HE2 
     HIS( 14 A 107)         HD1 
     HIS( 14 A 108)         HE2 
     ASP( 14 B   6)         HD2 
     ASP( 14 B  13)         HD2 
     ASP( 14 B  32)         HD2 
     GLU( 14 B  38)         HE2 
     GLU( 14 B  42)         HE2 
     GLU( 14 B  69)         HE2 
     GLU( 14 B  73)         HE2 
     GLU( 14 B  84)         HE2 
     ASP( 14 B  85)         HD2 
     ASP( 14 B  98)         HD2 
     GLU( 14 B  99)         HE2 
     HIS( 14 B 100)         HD1 
     GLU( 14 B 102)         HE2 
     HIS( 14 B 103)         HE2 
     HIS( 14 B 104)         HE2 
     HIS( 14 B 105)         HE2 
     HIS( 14 B 106)         HE2 
     HIS( 14 B 107)         HD1 
     HIS( 14 B 108)         HE2 
     ASP( 15 A   6)         HD2 
     ASP( 15 A  13)         HD2 
     ASP( 15 A  32)         HD2 
     GLU( 15 A  38)         HE2 
     GLU( 15 A  42)         HE2 
     GLU( 15 A  69)         HE2 
     GLU( 15 A  73)         HE2 
     GLU( 15 A  84)         HE2 
     ASP( 15 A  85)         HD2 
     ASP( 15 A  98)         HD2 
     GLU( 15 A  99)         HE2 
     HIS( 15 A 100)         HD1 
     GLU( 15 A 102)         HE2 
     HIS( 15 A 103)         HE2 
     HIS( 15 A 104)         HE2 
     HIS( 15 A 105)         HE2 
     HIS( 15 A 106)         HD1 
     HIS( 15 A 107)         HE2 
     HIS( 15 A 108)         HE2 
     ASP( 15 B   6)         HD2 
     ASP( 15 B  13)         HD2 
     ASP( 15 B  32)         HD2 
     GLU( 15 B  38)         HE2 
     GLU( 15 B  42)         HE2 
     GLU( 15 B  69)         HE2 
     GLU( 15 B  73)         HE2 
     GLU( 15 B  84)         HE2 
     ASP( 15 B  85)         HD2 
     ASP( 15 B  98)         HD2 
     GLU( 15 B  99)         HE2 
     HIS( 15 B 100)         HD1 
     GLU( 15 B 102)         HE2 
     HIS( 15 B 103)         HE2 
     HIS( 15 B 104)         HE2 
     HIS( 15 B 105)         HE2 
     HIS( 15 B 106)         HD1 
     HIS( 15 B 107)         HE2 
     HIS( 15 B 108)         HE2 
     ASP( 16 A   6)         HD2 
     ASP( 16 A  13)         HD2 
     ASP( 16 A  32)         HD2 
     GLU( 16 A  38)         HE2 
     GLU( 16 A  42)         HE2 
     GLU( 16 A  69)         HE2 
     GLU( 16 A  73)         HE2 
     GLU( 16 A  84)         HE2 
     ASP( 16 A  85)         HD2 
     ASP( 16 A  98)         HD2 
     GLU( 16 A  99)         HE2 
     HIS( 16 A 100)         HD1 
     GLU( 16 A 102)         HE2 
     HIS( 16 A 103)         HE2 
     HIS( 16 A 104)         HE2 
     HIS( 16 A 105)         HE2 
     HIS( 16 A 106)         HD1 
     HIS( 16 A 107)         HE2 
     HIS( 16 A 108)         HD1 
     ASP( 16 B   6)         HD2 
     ASP( 16 B  13)         HD2 
     ASP( 16 B  32)         HD2 
     GLU( 16 B  38)         HE2 
     GLU( 16 B  42)         HE2 
     GLU( 16 B  69)         HE2 
     GLU( 16 B  73)         HE2 
     GLU( 16 B  84)         HE2 
     ASP( 16 B  85)         HD2 
     ASP( 16 B  98)         HD2 
     GLU( 16 B  99)         HE2 
     HIS( 16 B 100)         HD1 
     GLU( 16 B 102)         HE2 
     HIS( 16 B 103)         HE2 
     HIS( 16 B 104)         HE2 
     HIS( 16 B 105)         HE2 
     HIS( 16 B 106)         HD1 
     HIS( 16 B 107)         HE2 
     HIS( 16 B 108)         HD1 
     ASP( 17 A   6)         HD2 
     ASP( 17 A  13)         HD2 
     ASP( 17 A  32)         HD2 
     GLU( 17 A  38)         HE2 
     GLU( 17 A  42)         HE2 
     GLU( 17 A  69)         HE2 
     GLU( 17 A  73)         HE2 
     GLU( 17 A  84)         HE2 
     ASP( 17 A  85)         HD2 
     ASP( 17 A  98)         HD2 
     GLU( 17 A  99)         HE2 
     HIS( 17 A 100)         HD1 
     GLU( 17 A 102)         HE2 
     HIS( 17 A 103)         HD1 
     HIS( 17 A 104)         HD1 
     HIS( 17 A 105)         HE2 
     HIS( 17 A 106)         HD1 
     HIS( 17 A 107)         HE2 
     HIS( 17 A 108)         HE2 
     ASP( 17 B   6)         HD2 
     ASP( 17 B  13)         HD2 
     ASP( 17 B  32)         HD2 
     GLU( 17 B  38)         HE2 
     GLU( 17 B  42)         HE2 
     GLU( 17 B  69)         HE2 
     GLU( 17 B  73)         HE2 
     GLU( 17 B  84)         HE2 
     ASP( 17 B  85)         HD2 
     ASP( 17 B  98)         HD2 
     GLU( 17 B  99)         HE2 
     HIS( 17 B 100)         HD1 
     GLU( 17 B 102)         HE2 
     HIS( 17 B 103)         HD1 
     HIS( 17 B 104)         HD1 
     HIS( 17 B 105)         HE2 
     HIS( 17 B 106)         HD1 
     HIS( 17 B 107)         HE2 
     HIS( 17 B 108)         HE2 
     ASP( 18 A   6)         HD2 
     ASP( 18 A  13)         HD2 
     ASP( 18 A  32)         HD2 
     GLU( 18 A  38)         HE2 
     GLU( 18 A  42)         HE2 
     GLU( 18 A  69)         HE2 
     GLU( 18 A  73)         HE2 
     GLU( 18 A  84)         HE2 
     ASP( 18 A  85)         HD2 
     ASP( 18 A  98)         HD2 
     GLU( 18 A  99)         HE2 
     HIS( 18 A 100)         HD1 
     GLU( 18 A 102)         HE2 
     HIS( 18 A 103)         HD1 
     HIS( 18 A 104)         HE2 
     HIS( 18 A 105)         HE2 
     HIS( 18 A 106)         HD1 
     HIS( 18 A 107)         HE2 
     HIS( 18 A 108)         HE2 
     ASP( 18 B   6)         HD2 
     ASP( 18 B  13)         HD2 
     ASP( 18 B  32)         HD2 
     GLU( 18 B  38)         HE2 
     GLU( 18 B  42)         HE2 
     GLU( 18 B  69)         HE2 
     GLU( 18 B  73)         HE2 
     GLU( 18 B  84)         HE2 
     ASP( 18 B  85)         HD2 
     ASP( 18 B  98)         HD2 
     GLU( 18 B  99)         HE2 
     HIS( 18 B 100)         HD1 
     GLU( 18 B 102)         HE2 
     HIS( 18 B 103)         HD1 
     HIS( 18 B 104)         HE2 
     HIS( 18 B 105)         HE2 
     HIS( 18 B 106)         HD1 
     HIS( 18 B 107)         HE2 
     HIS( 18 B 108)         HE2 
==> The following residues have extra atoms:                         
    
     RES MOD#C SEQ          ATOMS
    
     HIS(  1 A 108)          O2 
     HIS(  1 B 108)          O2 
     HIS(  2 A 108)          O2 
     HIS(  2 B 108)          O2 
     HIS(  3 A 108)          O2 
     HIS(  3 B 108)          O2 
     HIS(  4 A 108)          O2 
     HIS(  4 B 108)          O2 
     HIS(  5 A 108)          O2 
     HIS(  5 B 108)          O2 
     HIS(  6 A 108)          O2 
     HIS(  6 B 108)          O2 
     HIS(  7 A 108)          O2 
     HIS(  7 B 108)          O2 
     HIS(  8 A 108)          O2 
     HIS(  8 B 108)          O2 
     HIS(  9 A 108)          O2 
     HIS(  9 B 108)          O2 
     HIS( 10 A 108)          O2 
     HIS( 10 B 108)          O2 
     HIS( 11 A 108)          O2 
     HIS( 11 B 108)          O2 
     HIS( 12 A 108)          O2 
     HIS( 12 B 108)          O2 
     HIS( 13 A 108)          O2 
     HIS( 13 B 108)          O2 
     HIS( 14 A 108)          O2 
     HIS( 14 B 108)          O2 
     HIS( 15 A 108)          O2 
     HIS( 15 B 108)          O2 
     HIS( 16 A 108)          O2 
     HIS( 16 B 108)          O2 
     HIS( 17 A 108)          O2 
     HIS( 17 B 108)          O2 
     HIS( 18 A 108)          O2 
     HIS( 18 B 108)          O2 


MBR242E_R3Cons_em_bcr3.pdb: Missing KEYWDS records

MBR242E_R3Cons_em_bcr3.pdb: Missing TITLE record