Detailed results of PSR293_R3_em_bcr3 by PSVS

Output from PDBStat

Constraints analysis

table of NOE constraints


# -------------- SUMMARY OF RESTRAINTS  --------------- 
# TOTAL NUMBER OF NOE RESTRAINTS            :  1823
#      INTRA-RESIDUE RESTRAINTS   (I=J)     :   419
#      SEQUENTIAL    RESTRAINTS   (I-J)=1   :   481
#          BACKBONE-BACKBONE                :       117
#          BACKBONE-SIDE CHAIN              :        72
#          SIDE CHAIN-SIDE CHAIN            :       292
#      MEDIUM RANGE  RESTRAINTS  1<(I-J)<5  :   370
#          BACKBONE-BACKBONE                :        73
#          BACKBONE-SIDE CHAIN              :        86
#          SIDE CHAIN-SIDE CHAIN            :       211
#      LONG  RANGE   RESTRAINTS   (I-J)>=5  :   553
# TOTAL HYDROGEN BOND RESTRAINTS            :     0
#      LONG RANGE H-BOND RESTR.   (I-J)>=5  :     0
# DISULFIDE RESTRAINTS                      :     0
# INTRA-CHAIN RESTRAINTS                    :  1823
# INTER-CHAIN RESTRAINTS                    :     0
# AMBIGUOUS RESTRAINTS                      :     0
# ----------------------------------------------------- 
# ----------------------------------------------------- 
# ----------------------------------------------------- 


# RES   #    INTRA  INTER   seq    med    lng   InterChain
 MET     1      4   20.5    2.0    3.5   15.0    0.0
 ASN     2      0    7.0    3.0    2.0    2.0    0.0
 ARG     3      6   13.0    2.5    3.5    7.0    0.0
 GLN     4      6    9.5    4.0    5.5    0.0    0.0
 GLN     5      4   11.0    4.5    6.5    0.0    0.0
 PHE     6      4   26.0    4.5    4.0   17.5    0.0
 ILE     7      8   24.5    6.0    9.0    9.5    0.0
 ASP     8      2   10.0    4.5    5.5    0.0    0.0
 TYR     9      4   11.5    3.0    3.5    5.0    0.0
 ALA    10      1   16.0    4.5    8.0    3.5    0.0
 GLN    11      7   14.0    5.5    7.5    1.0    0.0
 LYS    12      9    8.0    5.0    3.0    0.0    0.0
 LYS    13     10    7.5    4.5    3.0    0.0    0.0
 TYR    14      4    7.5    3.0    3.5    1.0    0.0
 ASP    15      1    5.5    2.0    3.5    0.0    0.0
 THR    16      3   11.5    4.5    1.5    5.5    0.0
 LYS    17      1    6.5    5.5    0.0    1.0    0.0
 PRO    18      0   12.0    6.0    1.0    5.0    0.0
 ASP    19      0    8.5    4.5    0.0    4.0    0.0
 HIS    20      0    3.5    2.5    0.0    1.0    0.0
 PRO    21      0    5.5    3.0    0.0    2.5    0.0
 TRP    22      2    7.5    4.5    2.5    0.5    0.0
 GLU    23      5   13.0   13.0    0.0    0.0    0.0
 LYS    24      5   14.5   13.5    1.0    0.0    0.0
 PHE    25      4    9.0    6.0    3.0    0.0    0.0
 PRO    26      0    4.5    3.5    1.0    0.0    0.0
 ASP    27      1    3.5    3.0    0.5    0.0    0.0
 TYR    28      2    8.5    3.5    1.0    4.0    0.0
 ALA    29      0   11.5    3.5    1.5    6.5    0.0
 VAL    30      5   20.0    4.0    2.0   14.0    0.0
 PHE    31      2   22.0    3.5    1.5   17.0    0.0
 ARG    32      3    6.5    2.5    2.0    2.0    0.0
 HIS    33      0    4.5    3.0    1.0    0.5    0.0
 SER    34      1    4.5    4.0    0.5    0.0    0.0
 ASP    35      1    5.0    3.0    1.0    1.0    0.0
 ASN    36      0   11.0    1.5    0.5    9.0    0.0
 ASP    37      1    2.0    1.0    1.0    0.0    0.0
 LYS    38      4    1.5    1.0    0.0    0.5    0.0
 TRP    39      2    1.0    0.5    0.0    0.5    0.0
 TYR    40      0    1.5    0.5    0.0    1.0    0.0
 ALA    41      0    8.0    1.5    0.0    6.5    0.0
 LEU    42      8   12.5    2.5    4.0    6.0    0.0
 LEU    43      7   31.0    4.0    0.0   27.0    0.0
 MET    44      4   16.5    4.0    5.5    7.0    0.0
 ASP    45      0    7.0    3.0    0.0    4.0    0.0
 ILE    46      6   19.5    6.0    3.0   10.5    0.0
 PRO    47      0   14.0    6.5    5.5    2.0    0.0
 ALA    48      1   24.0    3.5    3.5   17.0    0.0
 GLU    49      2    9.5    3.5    5.5    0.5    0.0
 LYS    50      3   12.5    6.0    5.0    1.5    0.0
 ILE    51     10   26.5    7.0    7.0   12.5    0.0
 GLY    52      0    5.0    3.5    1.5    0.0    0.0
 ILE    53     12   24.5    5.0   10.0    9.5    0.0
 ASN    54      3    6.5    5.5    0.0    1.0    0.0
 GLY    55      1    6.0    2.0    3.0    1.0    0.0
 ASP    56      1    5.5    3.0    0.5    2.0    0.0
 LYS    57      4   10.5    4.5    2.5    3.5    0.0
 ARG    58      4   10.0    6.0    0.0    4.0    0.0
 VAL    59      4   21.0    6.5    2.0   12.5    0.0
 ASP    60      2   14.0    6.0    0.5    7.5    0.0
 VAL    61      3   22.5    5.5    0.5   16.5    0.0
 ILE    62      5   21.5    2.5    1.5   17.5    0.0
 ASP    63      0    0.0    0.0    0.0    0.0    0.0
 LEU    64      4   13.5    1.0    3.0    9.5    0.0
 LYS    65      5   15.0    5.5    0.0    9.5    0.0
 VAL    66      4   26.0    7.5    5.0   13.5    0.0
 GLN    67     11   20.5    4.5   10.0    6.0    0.0
 PRO    68      0    5.5    3.0    2.5    0.0    0.0
 GLU    69      3    7.5    4.5    3.0    0.0    0.0
 LEU    70      8   19.0    6.0   13.0    0.0    0.0
 VAL    71      5   24.5    5.5   11.5    7.5    0.0
 GLY    72      0    7.0    3.0    4.0    0.0    0.0
 SER    73      1    8.5    1.5    7.0    0.0    0.0
 LEU    74      8   18.0    3.5    6.5    8.0    0.0
 ARG    75     12   24.5    3.5    7.0   14.0    0.0
 LYS    76     17   11.5    5.5    6.0    0.0    0.0
 LYS    77      6   10.0    4.5    4.5    1.0    0.0
 PRO    78      0    3.5    1.5    1.0    1.0    0.0
 GLY    79      0    6.5    2.5    1.0    3.0    0.0
 ILE    80      9   18.0    4.0    4.0   10.0    0.0
 TYR    81      2   17.5    6.0    1.0   10.5    0.0
 PRO    82      0   15.0    3.0    1.0   11.0    0.0
 ALA    83      0    0.0    0.0    0.0    0.0    0.0
 TYR    84      1    5.0    0.0    0.0    5.0    0.0
 HIS    85      0    0.0    0.0    0.0    0.0    0.0
 MET    86      0    0.0    0.0    0.0    0.0    0.0
 ASN    87      0    2.0    0.5    1.5    0.0    0.0
 LYS    88      2    8.0    1.0    2.0    5.0    0.0
 GLU    89      3    8.0    5.0    0.5    2.5    0.0
 HIS    90      0    8.0    7.0    0.0    1.0    0.0
 TRP    91      1    7.5    4.0    1.5    2.0    0.0
 ILE    92      6   18.0    4.5    1.5   12.0    0.0
 THR    93      3    6.0    3.0    0.0    3.0    0.0
 VAL    94      1    7.0    2.0    0.5    4.5    0.0
 LEU    95     10   22.5    3.5    6.0   13.0    0.0
 LEU    96      5   25.5    3.0    0.5   22.0    0.0
 ASN    97      3    5.0    2.5    2.0    0.5    0.0
 GLY    98      0    4.0    1.5    2.5    0.0    0.0
 PRO    99      0    6.0    2.5    1.5    2.0    0.0
 LEU   100      9   18.5    7.0    3.5    8.0    0.0
 GLY   101      0   11.5    8.0    3.5    0.0    0.0
 ALA   102      1   13.0    5.5    5.5    2.0    0.0
 LYS   103      6    6.5    4.0    2.5    0.0    0.0
 GLU   104      4   12.0    3.5    8.5    0.0    0.0
 ILE   105     10   29.0    4.5   13.0   11.5    0.0
 HIS   106      3   11.5    3.5    6.5    1.5    0.0
 SER   107      1    9.5    3.5    6.0    0.0    0.0
 LEU   108      7   14.5    6.0    5.5    3.0    0.0
 ILE   109     10   33.5    6.5   12.5   14.5    0.0
 GLU   110      3   12.0    5.0    7.0    0.0    0.0
 ASP   111      1    7.5    3.5    4.0    0.0    0.0
 SER   112      2   13.5    2.0    6.5    5.0    0.0
 PHE   113      2    7.5    3.0    4.5    0.0    0.0
 GLN   114      3    7.5    3.5    4.0    0.0    0.0
 LEU   115     11   21.0    5.0    4.0   12.0    0.0
 THR   116      3   10.5    6.0    2.5    2.0    0.0
 ARG   117      8    8.5    4.5    3.5    0.5    0.0
 LEU   118      8   15.0    5.5    0.5    9.0    0.0
 GLU   119      5    7.5    7.0    0.0    0.5    0.0
 HIS   120      0    5.5    5.0    0.5    0.0    0.0
 HIS   121      0    2.0    2.0    0.0    0.0    0.0
 HIS   122      0    2.0    2.0    0.0    0.0    0.0
 HIS   123      0    1.5    1.5    0.0    0.0    0.0
 HIS   124      0    0.5    0.5    0.0    0.0    0.0
 HIS   125      0    0.0    0.0    0.0    0.0    0.0
# TOTAL        419 1404.0  481.0  370.0  553.0    0.0

# TOTAL NUMBER OF RESTRAINTS  (CHECKING): 1823.0

List of conformationally-resticting NOE constraints

 assign ((resid   1 and name HA   ))   ( (resid   1 and name HE*  )) assign ((resid   1 and name HA   ))   ( (resid   1 and name HG*  )) assign ((resid   1 and name HA   ))   ( (resid   2 and name HN   )) assign ((resid   1 and name HA   ))   ( (resid   5 and name HB*  )) assign ((resid   1 and name HB*  ))   ( (resid   1 and name HE*  )) assign ((resid   1 and name HB*  ))   ( (resid   2 and name HN   )) assign ((resid   1 and name HB*  ))   ( (resid  96 and name HB*  )) assign ((resid   1 and name HB*  ))   ( (resid  96 and name HD2* )) assign ((resid   1 and name HB*  ))   ( (resid 102 and name HB*  )) assign ((resid   1 and name HB1  ))   ( (resid 105 and name HD1* )) assign ((resid   1 and name HB2  ))   ( (resid 105 and name HD1* )) assign ((resid   1 and name HE*  ))   ( (resid   5 and name HB*  )) assign ((resid   1 and name HE*  ))   ( (resid   6 and name HA   )) assign ((resid   1 and name HE*  ))   ( (resid   6 and name HB*  )) assign ((resid   1 and name HE*  ))   ( (resid   6 and name HD*  )) assign ((resid   1 and name HE*  ))   ( (resid   6 and name HN   )) assign ((resid   1 and name HE*  ))   ( (resid   9 and name HB*  )) assign ((resid   1 and name HE*  ))   ( (resid   9 and name HD*  )) assign ((resid   1 and name HE*  ))   ( (resid  62 and name HD1* )) assign ((resid   1 and name HE*  ))   ( (resid  96 and name HD2* )) assign ((resid   1 and name HE*  ))   ( (resid 102 and name HA   )) assign ((resid   1 and name HE*  ))   ( (resid 102 and name HB*  )) assign ((resid   1 and name HE*  ))   ( (resid 105 and name HD1* )) assign ((resid   1 and name HE*  ))   ( (resid 105 and name HG1* )) assign ((resid   1 and name HE*  ))   ( (resid 105 and name HG2* )) assign ((resid   1 and name HE*  ))   ( (resid 106 and name HD2  )) assign ((resid   1 and name HE*  ))   ( (resid 106 and name HN   )) assign ((resid   1 and name HE*  ))   ( (resid 109 and name HD1* )) assign ((resid   1 and name HE*  ))   ( (resid 109 and name HG1* )) assign ((resid   1 and name HG*  ))   ( (resid   1 and name HE*  )) assign ((resid   1 and name HG*  ))   ( (resid   5 and name HB*  )) assign ((resid   1 and name HG*  ))   ( (resid   6 and name HN   )) assign ((resid   1 and name HG*  ))   ( (resid  96 and name HB*  )) assign ((resid   1 and name HG*  ))   ( (resid  96 and name HD1* )) assign ((resid   1 and name HG*  ))   ( (resid  96 and name HD2* )) assign ((resid   1 and name HG*  ))   ( (resid 102 and name HB*  )) assign ((resid   1 and name HG*  ))   ( (resid 105 and name HG2* )) assign ((resid   1 and name HG1  ))   ( (resid   2 and name HN   )) assign ((resid   1 and name HG1  ))   ( (resid   5 and name HB1  )) assign ((resid   1 and name HG1  ))   ( (resid   5 and name HB2  )) assign ((resid   1 and name HG1  ))   ( (resid 105 and name HD1* )) assign ((resid   1 and name HG2  ))   ( (resid   2 and name HN   )) assign ((resid   1 and name HG2  ))   ( (resid   5 and name HB1  )) assign ((resid   1 and name HG2  ))   ( (resid   5 and name HB2  )) assign ((resid   1 and name HG2  ))   ( (resid 105 and name HD1* )) assign ((resid   2 and name HA   ))   ( (resid   3 and name HN   )) assign ((resid   2 and name HA   ))   ( (resid  96 and name HB*  )) assign ((resid   2 and name HA   ))   ( (resid  96 and name HD1* )) assign ((resid   2 and name HA   ))   ( (resid  96 and name HD2* )) assign ((resid   2 and name HB*  ))   ( (resid   3 and name HN   )) assign ((resid   2 and name HD2* ))   ( (resid   5 and name HG*  )) assign ((resid   2 and name HN   ))   ( (resid   5 and name HB*  )) assign ((resid   2 and name HN   ))   ( (resid   5 and name HG1  )) assign ((resid   2 and name HN   ))   ( (resid   5 and name HG2  )) assign ((resid   2 and name HN   ))   ( (resid  96 and name HD2* )) assign ((resid   3 and name HA   ))   ( (resid   3 and name HD*  )) assign ((resid   3 and name HA   ))   ( (resid   6 and name HB1  )) assign ((resid   3 and name HA   ))   ( (resid   6 and name HB2  )) assign ((resid   3 and name HA   ))   ( (resid  43 and name HD1* )) assign ((resid   3 and name HA   ))   ( (resid  43 and name HD2* )) assign ((resid   3 and name HA   ))   ( (resid  96 and name HD1* )) assign ((resid   3 and name HA   ))   ( (resid  96 and name HD2* )) assign ((resid   3 and name HB*  ))   ( (resid   3 and name HD*  )) assign ((resid   3 and name HB*  ))   ( (resid   3 and name HE   )) assign ((resid   3 and name HB*  ))   ( (resid   4 and name HN   )) assign ((resid   3 and name HB*  ))   ( (resid  96 and name HD1* )) assign ((resid   3 and name HB2  ))   ( (resid  43 and name HD1* )) assign ((resid   3 and name HD*  ))   ( (resid  43 and name HD1* )) assign ((resid   3 and name HD*  ))   ( (resid  43 and name HD2* )) assign ((resid   3 and name HD1  ))   ( (resid   7 and name HD1* )) assign ((resid   3 and name HD2  ))   ( (resid   7 and name HD1* )) assign ((resid   3 and name HE   ))   ( (resid   7 and name HD1* )) assign ((resid   3 and name HE   ))   ( (resid  43 and name HD1* )) assign ((resid   3 and name HE   ))   ( (resid  43 and name HD2* )) assign ((resid   3 and name HG*  ))   ( (resid   4 and name HN   )) assign ((resid   3 and name HG*  ))   ( (resid  43 and name HD2* )) assign ((resid   3 and name HG1  ))   ( (resid   7 and name HD1* )) assign ((resid   3 and name HG1  ))   ( (resid  43 and name HD1* )) assign ((resid   3 and name HG2  ))   ( (resid   7 and name HD1* )) assign ((resid   3 and name HG2  ))   ( (resid  43 and name HD1* )) assign ((resid   3 and name HN   ))   ( (resid   3 and name HB*  )) assign ((resid   3 and name HN   ))   ( (resid   3 and name HG1  )) assign ((resid   3 and name HN   ))   ( (resid   3 and name HG2  )) assign ((resid   3 and name HN   ))   ( (resid   4 and name HN   )) assign ((resid   3 and name HN   ))   ( (resid  96 and name HD1* )) assign ((resid   4 and name HA   ))   ( (resid   4 and name HE2* )) assign ((resid   4 and name HA   ))   ( (resid   7 and name HB   )) assign ((resid   4 and name HA   ))   ( (resid   7 and name HD1* )) assign ((resid   4 and name HA   ))   ( (resid   7 and name HG2* )) assign ((resid   4 and name HA   ))   ( (resid   7 and name HN   )) assign ((resid   4 and name HA   ))   ( (resid   8 and name HN   )) assign ((resid   4 and name HB*  ))   ( (resid   4 and name HE2* )) assign ((resid   4 and name HB*  ))   ( (resid   5 and name HG*  )) assign ((resid   4 and name HB*  ))   ( (resid   5 and name HN   )) assign ((resid   4 and name HE2* ))   ( (resid   7 and name HG1* )) assign ((resid   4 and name HE2* ))   ( (resid   7 and name HG2* )) assign ((resid   4 and name HE2* ))   ( (resid   8 and name HN   )) assign ((resid   4 and name HE21 ))   ( (resid   7 and name HB   )) assign ((resid   4 and name HE22 ))   ( (resid   7 and name HB   )) assign ((resid   4 and name HG*  ))   ( (resid   4 and name HE2* )) assign ((resid   4 and name HG*  ))   ( (resid   8 and name HN   )) assign ((resid   4 and name HG1  ))   ( (resid   5 and name HN   )) assign ((resid   4 and name HG2  ))   ( (resid   5 and name HN   )) assign ((resid   4 and name HN   ))   ( (resid   4 and name HB*  )) assign ((resid   4 and name HN   ))   ( (resid   4 and name HG1  )) assign ((resid   4 and name HN   ))   ( (resid   4 and name HG2  )) assign ((resid   4 and name HN   ))   ( (resid   5 and name HN   )) assign ((resid   5 and name HA   ))   ( (resid   5 and name HG*  )) assign ((resid   5 and name HA   ))   ( (resid   8 and name HB*  )) assign ((resid   5 and name HA   ))   ( (resid   8 and name HN   )) assign ((resid   5 and name HB1  ))   ( (resid   6 and name HN   )) assign ((resid   5 and name HB2  ))   ( (resid   6 and name HN   )) assign ((resid   5 and name HG*  ))   ( (resid   5 and name HE2* )) assign ((resid   5 and name HG*  ))   ( (resid   6 and name HN   )) assign ((resid   5 and name HN   ))   ( (resid   5 and name HB*  )) assign ((resid   5 and name HN   ))   ( (resid   5 and name HG*  )) assign ((resid   5 and name HN   ))   ( (resid   6 and name HN   )) assign ((resid   6 and name HA   ))   ( (resid   6 and name HD*  )) assign ((resid   6 and name HA   ))   ( (resid   9 and name HB*  )) assign ((resid   6 and name HA   ))   ( (resid   9 and name HN   )) assign ((resid   6 and name HA   ))   ( (resid  10 and name HB*  )) assign ((resid   6 and name HA   ))   ( (resid  10 and name HN   )) assign ((resid   6 and name HA   ))   ( (resid  43 and name HD1* )) assign ((resid   6 and name HA   ))   ( (resid 109 and name HD1* )) assign ((resid   6 and name HB*  ))   ( (resid   7 and name HN   )) assign ((resid   6 and name HB*  ))   ( (resid  96 and name HD2* )) assign ((resid   6 and name HB*  ))   ( (resid 109 and name HD1* )) assign ((resid   6 and name HB1  ))   ( (resid  96 and name HD1* )) assign ((resid   6 and name HB2  ))   ( (resid  96 and name HD1* )) assign ((resid   6 and name HD*  ))   ( (resid   7 and name HA   )) assign ((resid   6 and name HD*  ))   ( (resid   7 and name HD1* )) assign ((resid   6 and name HD*  ))   ( (resid   7 and name HN   )) assign ((resid   6 and name HD*  ))   ( (resid  10 and name HB*  )) assign ((resid   6 and name HD*  ))   ( (resid  29 and name HB*  )) assign ((resid   6 and name HD*  ))   ( (resid  43 and name HB*  )) assign ((resid   6 and name HD*  ))   ( (resid  43 and name HD1* )) assign ((resid   6 and name HD*  ))   ( (resid  43 and name HD2* )) assign ((resid   6 and name HD*  ))   ( (resid  62 and name HD1* )) assign ((resid   6 and name HD*  ))   ( (resid  62 and name HG2* )) assign ((resid   6 and name HD*  ))   ( (resid  96 and name HD2* )) assign ((resid   6 and name HD*  ))   ( (resid 105 and name HG2* )) assign ((resid   6 and name HD*  ))   ( (resid 109 and name HG2* )) assign ((resid   6 and name HE*  ))   ( (resid  41 and name HB*  )) assign ((resid   6 and name HE*  ))   ( (resid  43 and name HD1* )) assign ((resid   6 and name HE*  ))   ( (resid  43 and name HD2* )) assign ((resid   6 and name HE*  ))   ( (resid  62 and name HD1* )) assign ((resid   6 and name HE*  ))   ( (resid  62 and name HG2* )) assign ((resid   6 and name HE*  ))   ( (resid 105 and name HG2* )) assign ((resid   6 and name HE*  ))   ( (resid 109 and name HD1* )) assign ((resid   6 and name HE*  ))   ( (resid 109 and name HG1* )) assign ((resid   6 and name HN   ))   ( (resid   6 and name HB1  )) assign ((resid   6 and name HN   ))   ( (resid   6 and name HB2  )) assign ((resid   6 and name HN   ))   ( (resid   6 and name HD*  )) assign ((resid   6 and name HN   ))   ( (resid   7 and name HN   )) assign ((resid   6 and name HN   ))   ( (resid  43 and name HD1* )) assign ((resid   6 and name HN   ))   ( (resid  96 and name HD1* )) assign ((resid   6 and name HZ   ))   ( (resid  10 and name HB*  )) assign ((resid   6 and name HZ   ))   ( (resid  41 and name HB*  )) assign ((resid   6 and name HZ   ))   ( (resid  62 and name HG2* )) assign ((resid   6 and name HZ   ))   ( (resid  64 and name HD2* )) assign ((resid   6 and name HZ   ))   ( (resid 109 and name HD1* )) assign ((resid   6 and name HZ   ))   ( (resid 109 and name HG2* )) assign ((resid   7 and name HA   ))   ( (resid   7 and name HD1* )) assign ((resid   7 and name HA   ))   ( (resid   7 and name HG1* )) assign ((resid   7 and name HA   ))   ( (resid   7 and name HG2* )) assign ((resid   7 and name HA   ))   ( (resid  10 and name HB*  )) assign ((resid   7 and name HA   ))   ( (resid  10 and name HN   )) assign ((resid   7 and name HA   ))   ( (resid  31 and name HE*  )) assign ((resid   7 and name HA   ))   ( (resid  31 and name HZ   )) assign ((resid   7 and name HA   ))   ( (resid  43 and name HD1* )) assign ((resid   7 and name HB   ))   ( (resid   7 and name HD1* )) assign ((resid   7 and name HB   ))   ( (resid   8 and name HB*  )) assign ((resid   7 and name HB   ))   ( (resid   8 and name HN   )) assign ((resid   7 and name HD1* ))   ( (resid   8 and name HN   )) assign ((resid   7 and name HD1* ))   ( (resid  18 and name HD*  )) assign ((resid   7 and name HD1* ))   ( (resid  31 and name HD*  )) assign ((resid   7 and name 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(resid  12 and name HN   )) assign ((resid  11 and name HB1  ))   ( (resid  15 and name HA   )) assign ((resid  11 and name HB2  ))   ( (resid  11 and name HE22 )) assign ((resid  11 and name HB2  ))   ( (resid  12 and name HN   )) assign ((resid  11 and name HB2  ))   ( (resid  15 and name HA   )) assign ((resid  11 and name HE21 ))   ( (resid  15 and name HA   )) assign ((resid  11 and name HG*  ))   ( (resid  12 and name HN   )) assign ((resid  11 and name HG*  ))   ( (resid  15 and name HA   )) assign ((resid  11 and name HN   ))   ( (resid  11 and name HB1  )) assign ((resid  11 and name HN   ))   ( (resid  11 and name HB2  )) assign ((resid  11 and name HN   ))   ( (resid  12 and name HB2  )) assign ((resid  11 and name HN   ))   ( (resid  12 and name HN   )) assign ((resid  12 and name HA   ))   ( (resid  12 and name HD*  )) assign ((resid  12 and name HA   ))   ( (resid  12 and name HG*  )) assign ((resid  12 and name HA   ))   ( (resid  15 and name HN   )) assign ((resid  12 and name HB*  ))   ( (resid  12 and name HE*  )) assign ((resid  12 and name HB*  ))   ( (resid  12 and name HE1  )) assign ((resid  12 and name HB*  ))   ( (resid  12 and name HE2  )) assign ((resid  12 and name HB*  ))   ( (resid  13 and name HA   )) assign ((resid  12 and name HB1  ))   ( (resid  13 and name HN   )) assign ((resid  12 and name HB2  ))   ( (resid  13 and name HN   )) assign ((resid  12 and name HG*  ))   ( (resid  12 and name HE*  )) assign ((resid  12 and name HN   ))   ( (resid  12 and name HB1  )) assign ((resid  12 and name HN   ))   ( (resid  12 and name HB2  )) assign ((resid  12 and name HN   ))   ( (resid  12 and name HG*  )) assign ((resid  12 and name HN   ))   ( (resid  13 and name HN   )) assign ((resid  12 and name HN   ))   ( (resid  15 and name HN   )) assign ((resid  13 and name HA   ))   ( (resid  13 and name HD*  )) assign ((resid  13 and name HA   ))   ( (resid  13 and name HG*  )) assign ((resid  13 and name HB*  ))   ( (resid  14 and name HN   )) assign ((resid  13 and name HD*  ))   ( (resid  14 and name HE*  )) assign ((resid  13 and name HG*  ))   ( (resid  13 and name HE*  )) assign ((resid  13 and name HG1  ))   ( (resid  13 and name HE1  )) assign ((resid  13 and name HG1  ))   ( (resid  13 and name HE2  )) assign ((resid  13 and name HG1  ))   ( (resid  14 and name HE*  )) assign ((resid  13 and name HG2  ))   ( (resid  13 and name HE1  )) assign ((resid  13 and name HG2  ))   ( (resid  13 and name HE2  )) assign ((resid  13 and name HG2  ))   ( (resid  14 and name HE*  )) assign ((resid  13 and name HN   ))   ( (resid  13 and name HB1  )) assign ((resid  13 and name HN   ))   ( (resid  13 and name HB2  )) assign ((resid  13 and name HN   ))   ( (resid  13 and name HG*  )) assign ((resid  13 and name HN   ))   ( (resid  14 and name HN   )) assign ((resid  14 and name HA   ))   ( (resid  14 and name HD*  )) assign ((resid  14 and name HA   ))   ( (resid  14 and name HE*  )) assign ((resid  14 and name HB*  ))   ( (resid  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HG2* ))   ( (resid  17 and name HA   )) assign ((resid  16 and name HG2* ))   ( (resid  17 and name HN   )) assign ((resid  16 and name HG2* ))   ( (resid  18 and name HA   )) assign ((resid  16 and name HG2* ))   ( (resid  18 and name HD*  )) assign ((resid  16 and name HG2* ))   ( (resid  31 and name HA   )) assign ((resid  16 and name HG2* ))   ( (resid  31 and name HB*  )) assign ((resid  16 and name HG2* ))   ( (resid  31 and name HD*  )) assign ((resid  16 and name HG2* ))   ( (resid  31 and name HE*  )) assign ((resid  16 and name HG2* ))   ( (resid  32 and name HN   )) assign ((resid  16 and name HN   ))   ( (resid  16 and name HB   )) assign ((resid  16 and name HN   ))   ( (resid  16 and name HG2* )) assign ((resid  16 and name HN   ))   ( (resid  17 and name HN   )) assign ((resid  17 and name HA   ))   ( (resid  18 and name HB*  )) assign ((resid  17 and name HA   ))   ( (resid  18 and name HD*  )) assign ((resid  17 and name HA   ))   ( (resid  18 and name HG*  )) assign ((resid  17 and name HB*  ))   ( (resid  18 and name HD*  )) assign ((resid  17 and name HN   ))   ( (resid  17 and name HB*  )) assign ((resid  17 and name HN   ))   ( (resid  18 and name HD*  )) assign ((resid  18 and name HA   ))   ( (resid  19 and name HA   )) assign ((resid  18 and name HA   ))   ( (resid  19 and name HB*  )) assign ((resid  18 and name HA   ))   ( (resid  19 and name HN   )) assign ((resid  18 and name HA   ))   ( (resid  29 and name HB*  )) assign ((resid  18 and name HA   ))   ( (resid  31 and name HA   )) assign ((resid  18 and name HA   ))   ( (resid  31 and name HE*  )) assign ((resid  18 and name HB*  ))   ( (resid  19 and name HA   )) assign ((resid  18 and name HB*  ))   ( (resid  19 and name HB1  )) assign ((resid  18 and name HB*  ))   ( (resid  19 and name HB2  )) assign ((resid  18 and name HB*  ))   ( (resid  19 and name HN   )) assign ((resid  18 and name HB*  ))   ( (resid  31 and name HE*  )) assign ((resid  18 and name HB*  ))   ( (resid  31 and name HZ   )) assign ((resid  18 and name HB1  ))   ( (resid  30 and name HN   )) assign ((resid  18 and name HB2  ))   ( (resid  30 and name HN   )) assign ((resid  19 and name HA   ))   ( (resid  20 and name HN   )) assign ((resid  19 and name HB*  ))   ( (resid  20 and name HN   )) assign ((resid  19 and name HB*  ))   ( (resid  30 and name HB   )) assign ((resid  19 and name HB*  ))   ( (resid  30 and name HG2* )) assign ((resid  19 and name HB1  ))   ( (resid  30 and name HG1* )) assign ((resid  19 and name HB2  ))   ( (resid  30 and name HG1* )) assign ((resid  19 and name HN   ))   ( (resid  29 and name HB*  )) assign ((resid  19 and name HN   ))   ( (resid  30 and name HG1* )) assign ((resid  19 and name HN   ))   ( (resid  30 and name HG2* )) assign ((resid  19 and name HN   ))   ( (resid  30 and name HN   )) assign ((resid  20 and name HA   ))   ( (resid  21 and name HD1  )) assign ((resid  20 and name HA   ))   ( (resid  21 and name HD2  )) assign ((resid  20 and name HA   )) 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(resid  23 and name HB1  )) assign ((resid  23 and name HN   ))   ( (resid  23 and name HB2  )) assign ((resid  23 and name HN   ))   ( (resid  23 and name HG*  )) assign ((resid  23 and name HN   ))   ( (resid  24 and name HB*  )) assign ((resid  23 and name HN   ))   ( (resid  24 and name HG*  )) assign ((resid  23 and name HN   ))   ( (resid  24 and name HN   )) assign ((resid  24 and name HA   ))   ( (resid  24 and name HG*  )) assign ((resid  24 and name HA   ))   ( (resid  26 and name HD*  )) assign ((resid  24 and name HB1  ))   ( (resid  25 and name HN   )) assign ((resid  24 and name HB2  ))   ( (resid  25 and name HD*  )) assign ((resid  24 and name HB2  ))   ( (resid  25 and name HN   )) assign ((resid  24 and name HE*  ))   ( (resid  25 and name HE*  )) assign ((resid  24 and name HE1  ))   ( (resid  25 and name HE*  )) assign ((resid  24 and name HE2  ))   ( (resid  25 and name HE*  )) assign ((resid  24 and name HG*  ))   ( (resid  24 and name HE*  )) assign ((resid  24 and name HN   ))   ( (resid  24 and name HB1  )) assign ((resid  24 and name HN   ))   ( (resid  24 and name HB2  )) assign ((resid  24 and name HN   ))   ( (resid  24 and name HG*  )) assign ((resid  24 and name HN   ))   ( (resid  25 and name HN   )) assign ((resid  25 and name HA   ))   ( (resid  25 and name HD*  )) assign ((resid  25 and name HA   ))   ( (resid  26 and name HD*  )) assign ((resid  25 and name HA   ))   ( (resid  26 and name HG*  )) assign ((resid  25 and name HB*  ))   ( (resid  27 and name HN   )) assign ((resid  25 and name HB*  ))   ( (resid  28 and name HN   )) assign ((resid  25 and name HD*  ))   ( (resid  25 and name HZ   )) assign ((resid  25 and name HN   ))   ( (resid  25 and name HB*  )) assign ((resid  25 and name HN   ))   ( (resid  25 and name HD*  )) assign ((resid  25 and name HN   ))   ( (resid  26 and name HD1  )) assign ((resid  25 and name HN   ))   ( (resid  26 and name HD2  )) assign ((resid  25 and name HN   ))   ( (resid  26 and name HG*  )) assign ((resid  26 and name HB*  ))   ( (resid  28 and name HN   )) assign ((resid  26 and name HD*  ))   ( (resid  27 and name HN   )) assign ((resid  26 and name HG*  ))   ( (resid  27 and name HN   )) assign ((resid  27 and name HA   ))   ( (resid  28 and name HD*  )) assign ((resid  27 and name HA   ))   ( (resid  28 and name HN   )) assign ((resid  27 and name HN   ))   ( (resid  27 and name HB*  )) assign ((resid  27 and name HN   ))   ( (resid  28 and name HD*  )) assign ((resid  27 and name HN   ))   ( (resid  28 and name HN   )) assign ((resid  28 and name HA   ))   ( (resid  28 and name HD*  )) assign ((resid  28 and name HA   ))   ( (resid  29 and name HB*  )) assign ((resid  28 and name HA   ))   ( (resid  29 and name HN   )) assign ((resid  28 and name HA   ))   ( (resid  43 and name HD2* )) assign ((resid  28 and name HA   ))   ( (resid  44 and name HA   )) assign ((resid  28 and name HA   ))   ( (resid  44 and name HB*  )) assign ((resid  28 and name HA   ))   ( (resid  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and name HN   ))   ( (resid  38 and name HB*  )) assign ((resid  38 and name HN   ))   ( (resid  38 and name HD*  )) assign ((resid  38 and name HN   ))   ( (resid  39 and name HB*  )) assign ((resid  39 and name HA   ))   ( (resid  39 and name HD1  )) assign ((resid  39 and name HA   ))   ( (resid  39 and name HE3  )) assign ((resid  40 and name HB*  ))   ( (resid  91 and name HD1  )) assign ((resid  40 and name HN   ))   ( (resid  41 and name HN   )) assign ((resid  41 and name HA   ))   ( (resid  42 and name HN   )) assign ((resid  41 and name HA   ))   ( (resid  64 and name HA   )) assign ((resid  41 and name HB*  ))   ( (resid  42 and name HN   )) assign ((resid  42 and name HA   ))   ( (resid  42 and name HD1* )) assign ((resid  42 and name HA   ))   ( (resid  42 and name HD2* )) assign ((resid  42 and name HA   ))   ( (resid  43 and name HN   )) assign ((resid  42 and name HA   ))   ( (resid  44 and name HE*  )) assign ((resid  42 and name HB1  ))   ( (resid  42 and name HD1* )) assign ((resid  42 and name HB1  ))   ( (resid  42 and name HD2* )) assign ((resid  42 and name HB1  ))   ( (resid  43 and name HN   )) assign ((resid  42 and name HB2  ))   ( (resid  42 and name HD1* )) assign ((resid  42 and name HB2  ))   ( (resid  42 and name HD2* )) assign ((resid  42 and name HB2  ))   ( (resid  43 and name HN   )) assign ((resid  42 and name HD1* ))   ( (resid  44 and name HB*  )) assign ((resid  42 and name HD1* ))   ( (resid  44 and name HE*  )) assign ((resid  42 and name HD1* ))   ( (resid  44 and name HG1  )) assign ((resid  42 and name HD1* ))   ( (resid  44 and name HG2  )) assign ((resid  42 and name HD2* ))   ( (resid  44 and name HE*  )) assign ((resid  42 and name HD2* ))   ( (resid  44 and name HG2  )) assign ((resid  42 and name HG   ))   ( (resid  44 and name HE*  )) assign ((resid  42 and name HN   ))   ( (resid  42 and name HD1* )) assign ((resid  42 and name HN   ))   ( (resid  42 and name HD2* )) assign ((resid  43 and name HA   ))   ( (resid  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HD2* ))   ( (resid  44 and name HN   )) assign ((resid  43 and name HD2* ))   ( (resid  60 and name HB1  )) assign ((resid  43 and name HD2* ))   ( (resid  60 and name HB2  )) assign ((resid  43 and name HD2* ))   ( (resid  61 and name HG2* )) assign ((resid  43 and name HD2* ))   ( (resid  61 and name HN   )) assign ((resid  43 and name HD2* ))   ( (resid  62 and name HD1* )) assign ((resid  43 and name HD2* ))   ( (resid  62 and name HG2* )) assign ((resid  43 and name HG   ))   ( (resid  44 and name HN   )) assign ((resid  43 and name HN   ))   ( (resid  43 and name HD2* )) assign ((resid  44 and name HA   ))   ( (resid  45 and name HN   )) assign ((resid  44 and name HA   ))   ( (resid  61 and name HG2* )) assign ((resid  44 and name HB*  ))   ( (resid  44 and name HE*  )) assign ((resid  44 and name HB*  ))   ( (resid  45 and name HN   )) assign ((resid  44 and name HE*  ))   ( (resid  46 and name HB   )) assign ((resid  44 and name HE*  ))   ( (resid  46 and name HD1* )) assign 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name HN   )) assign ((resid  45 and name HA   ))   ( (resid  59 and name HN   )) assign ((resid  45 and name HA   ))   ( (resid  60 and name HA   )) assign ((resid  45 and name HA   ))   ( (resid  61 and name HG2* )) assign ((resid  45 and name HA   ))   ( (resid  61 and name HN   )) assign ((resid  45 and name HB*  ))   ( (resid  58 and name HB*  )) assign ((resid  45 and name HN   ))   ( (resid  46 and name HG2* )) assign ((resid  45 and name HN   ))   ( (resid  46 and name HN   )) assign ((resid  46 and name HA   ))   ( (resid  46 and name HD1* )) assign ((resid  46 and name HA   ))   ( (resid  47 and name HD*  )) assign ((resid  46 and name HA   ))   ( (resid  47 and name HG*  )) assign ((resid  46 and name HB   ))   ( (resid  46 and name HD1* )) assign ((resid  46 and name HB   ))   ( (resid  47 and name HB*  )) assign ((resid  46 and name HB   ))   ( (resid  47 and name HD1  )) assign ((resid  46 and name HB   ))   ( (resid  47 and name HD2  )) assign ((resid  46 and name HD1* )) 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and name HB*  ))   ( (resid  49 and name HA   )) assign ((resid  48 and name HB*  ))   ( (resid  49 and name HN   )) assign ((resid  48 and name HB*  ))   ( (resid  50 and name HN   )) assign ((resid  48 and name HB*  ))   ( (resid  51 and name HD1* )) assign ((resid  48 and name HB*  ))   ( (resid  53 and name HA   )) assign ((resid  48 and name HB*  ))   ( (resid  53 and name HB   )) assign ((resid  48 and name HB*  ))   ( (resid  53 and name HD1* )) assign ((resid  48 and name HB*  ))   ( (resid  53 and name HG11 )) assign ((resid  48 and name HB*  ))   ( (resid  53 and name HG12 )) assign ((resid  48 and name HB*  ))   ( (resid  53 and name HG2* )) assign ((resid  48 and name HB*  ))   ( (resid  53 and name HN   )) assign ((resid  48 and name HB*  ))   ( (resid  54 and name HA   )) assign ((resid  48 and name HB*  ))   ( (resid  54 and name HB*  )) assign ((resid  48 and name HB*  ))   ( (resid  55 and name HA*  )) assign ((resid  48 and name HB*  ))   ( (resid  55 and name HN   )) assign ((resid  48 and name HB*  ))   ( (resid  56 and name HA   )) assign ((resid  48 and name HB*  ))   ( (resid  56 and name HB*  )) assign ((resid  48 and name HB*  ))   ( (resid  56 and name HN   )) assign ((resid  48 and name HB*  ))   ( (resid  57 and name HA   )) assign ((resid  48 and name HB*  ))   ( (resid  57 and name HD1  )) assign ((resid  48 and name HB*  ))   ( (resid  57 and name HD2  )) assign ((resid  48 and name HB*  ))   ( (resid  57 and name HG*  )) assign ((resid  48 and name HB*  ))   ( (resid  57 and name HN   )) assign ((resid  48 and name HB*  ))   ( (resid  58 and name HA   )) assign ((resid  48 and name HB*  ))   ( (resid  59 and name HG1* )) assign ((resid  48 and name HB*  ))   ( (resid  59 and name HG2* )) assign ((resid  48 and name HB*  ))   ( (resid  59 and name HN   )) assign ((resid  48 and name HN   ))   ( (resid  48 and name HB*  )) assign ((resid  48 and name HN   ))   ( (resid  49 and name HN   )) assign ((resid  48 and name HN   ))   ( (resid  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and name HD*  ))   ( (resid  77 and name HA   )) assign ((resid  76 and name HD*  ))   ( (resid  77 and name HN   )) assign ((resid  76 and name HE*  ))   ( (resid  77 and name HG*  )) assign ((resid  76 and name HE*  ))   ( (resid  77 and name HN   )) assign ((resid  76 and name HE1  ))   ( (resid  77 and name HN   )) assign ((resid  76 and name HE2  ))   ( (resid  77 and name HN   )) assign ((resid  76 and name HG*  ))   ( (resid  77 and name HN   )) assign ((resid  76 and name HG1  ))   ( (resid  76 and name HE*  )) assign ((resid  76 and name HG2  ))   ( (resid  76 and name HE*  )) assign ((resid  76 and name HN   ))   ( (resid  76 and name HB1  )) assign ((resid  76 and name HN   ))   ( (resid  76 and name HB2  )) assign ((resid  76 and name HN   ))   ( (resid  76 and name HD1  )) assign ((resid  76 and name HN   ))   ( (resid  76 and name HE*  )) assign ((resid  76 and name HN   ))   ( (resid  76 and name HE1  )) assign ((resid  76 and name HN   ))   ( (resid  76 and name HE2  )) assign ((resid  76 and name HN   ))   ( (resid  76 and name HG1  )) assign ((resid  76 and name HN   ))   ( (resid  76 and name HG2  )) assign ((resid  76 and name HN   ))   ( (resid  77 and name HN   )) assign ((resid  77 and name HA   ))   ( (resid  77 and name HD*  )) assign ((resid  77 and name HA   ))   ( (resid  77 and name HG1  )) assign ((resid  77 and name HA   ))   ( (resid  77 and name HG2  )) assign ((resid  77 and name HB*  ))   ( (resid  80 and name HD1* )) assign ((resid  77 and name HB*  ))   ( (resid 100 and name HD2* )) assign ((resid  77 and name HB1  ))   ( (resid  80 and name HN   )) assign ((resid  77 and name HB2  ))   ( (resid  80 and name HN   )) assign ((resid  77 and name HG*  ))   ( (resid  77 and name HE*  )) assign ((resid  77 and name HG*  ))   ( (resid 108 and name HD2* )) assign ((resid  77 and name HN   ))   ( (resid  77 and name HB*  )) assign ((resid  77 and name HN   ))   ( (resid  77 and name HG*  )) assign ((resid  77 and name HN   ))   ( (resid  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HN   ))   ( (resid  96 and name HG   )) assign ((resid  96 and name HN   ))   ( (resid  97 and name HN   )) assign ((resid  97 and name HA   ))   ( (resid  97 and name HD2* )) assign ((resid  97 and name HA   ))   ( (resid  98 and name HN   )) assign ((resid  97 and name HB*  ))   ( (resid  97 and name HD2* )) assign ((resid  97 and name HN   ))   ( (resid  97 and name HB*  )) assign ((resid  97 and name HN   ))   ( (resid  98 and name HN   )) assign ((resid  98 and name HA*  ))   ( (resid  99 and name HG*  )) assign ((resid  99 and name HB*  ))   ( (resid 100 and name HD2* )) assign ((resid  99 and name HB*  ))   ( (resid 100 and name HN   )) assign ((resid  99 and name HD*  ))   ( (resid 100 and name HG   )) assign ((resid  99 and name HD*  ))   ( (resid 100 and name HN   )) assign ((resid 100 and name HA   ))   ( (resid 100 and name HD1* )) assign ((resid 100 and name HA   ))   ( (resid 100 and name HD2* )) assign ((resid 100 and name HA   ))   ( (resid 101 and name HA*  )) assign ((resid 100 and name HA   ))   ( (resid 101 and name HN   )) assign ((resid 100 and name HA   ))   ( (resid 104 and name HB*  )) assign ((resid 100 and name HB*  ))   ( (resid 101 and name HA1  )) assign ((resid 100 and name HB*  ))   ( (resid 101 and name HA2  )) assign ((resid 100 and name HB*  ))   ( (resid 104 and name HB*  )) assign ((resid 100 and name HB*  ))   ( (resid 105 and name HG1* )) assign ((resid 100 and name HB1  ))   ( (resid 100 and name HD1* )) assign ((resid 100 and name HB1  ))   ( (resid 101 and name HN   )) assign ((resid 100 and name HB2  ))   ( (resid 100 and name HD1* )) assign ((resid 100 and name HB2  ))   ( (resid 101 and name HN   )) assign ((resid 100 and name HD1* ))   ( (resid 101 and name HA*  )) assign ((resid 100 and name HD1* ))   ( (resid 101 and name HN   )) assign ((resid 100 and name HD1* ))   ( (resid 104 and name HA   )) assign ((resid 100 and name HD1* ))   ( (resid 104 and name HB1  )) assign ((resid 100 and name HD1* ))   ( (resid 104 and name HB2  )) assign ((resid 100 and name HD1* ))   ( (resid 104 and name HG*  )) assign ((resid 100 and name HD1* ))   ( (resid 105 and name HA   )) assign ((resid 100 and name HD1* ))   ( (resid 105 and name HG1* )) assign ((resid 100 and name HD1* ))   ( (resid 105 and name HN   )) assign ((resid 100 and name HD2* ))   ( (resid 101 and name HN   )) assign ((resid 100 and name HD2* ))   ( (resid 104 and name HB*  )) assign ((resid 100 and name HD2* ))   ( (resid 105 and name HG1* )) assign ((resid 100 and name HN   ))   ( (resid 100 and name HB1  )) assign ((resid 100 and name HN   ))   ( (resid 100 and name HB2  )) assign ((resid 100 and name HN   ))   ( (resid 100 and name HD1* )) assign ((resid 100 and name HN   ))   ( (resid 100 and name HD2* )) assign ((resid 100 and name HN   ))   ( (resid 100 and name HG   )) assign ((resid 100 and name HN   ))   ( (resid 101 and name HN   )) assign ((resid 101 and name HA*  ))   ( (resid 102 and name HA   )) assign ((resid 101 and name HA*  ))   ( (resid 103 and name HB*  )) assign ((resid 101 and name HA*  ))   ( (resid 103 and name HN   )) assign ((resid 101 and name HA1  ))   ( (resid 102 and name HB*  )) assign ((resid 101 and name HA1  ))   ( (resid 102 and name HN   )) assign ((resid 101 and name HA1  ))   ( (resid 104 and name HN   )) assign ((resid 101 and name HA2  ))   ( (resid 102 and name HB*  )) assign ((resid 101 and name HA2  ))   ( (resid 102 and name HN   )) assign ((resid 101 and name HA2  ))   ( (resid 104 and name HN   )) assign ((resid 101 and name HN   ))   ( (resid 102 and name HN   )) assign ((resid 101 and name HN   ))   ( (resid 104 and name HB1  )) assign ((resid 101 and name HN   ))   ( (resid 104 and name HB2  )) assign ((resid 101 and name HN   ))   ( (resid 104 and name HN   )) assign ((resid 102 and name HA   ))   ( (resid 105 and name HB   )) assign ((resid 102 and name HA   ))   ( (resid 105 and name HD1* )) assign ((resid 102 and name HA   ))   ( (resid 105 and name HG2* )) assign ((resid 102 and name HA   ))   ( (resid 105 and name HN   )) assign ((resid 102 and name HA   ))   ( (resid 106 and name HN   )) assign ((resid 102 and name HB*  ))   ( (resid 103 and name HA   )) assign ((resid 102 and name HB*  ))   ( (resid 103 and name HB*  )) assign ((resid 102 and name HB*  ))   ( (resid 103 and name HG*  )) assign ((resid 102 and name HB*  ))   ( (resid 103 and name HN   )) assign ((resid 102 and name HB*  ))   ( (resid 104 and name HN   )) assign ((resid 102 and name HB*  ))   ( (resid 105 and name HB   )) assign ((resid 102 and name HB*  ))   ( (resid 105 and name HD1* )) assign ((resid 102 and name HB*  ))   ( (resid 105 and name HN   )) assign ((resid 102 and name HN   ))   ( (resid 102 and name HB*  )) assign ((resid 102 and name HN   ))   ( (resid 103 and name HB*  )) assign ((resid 102 and name HN   ))   ( (resid 104 and name HN   )) assign ((resid 102 and name HN   ))   ( (resid 105 and name HD1* )) assign ((resid 103 and name HA   ))   ( (resid 103 and name HD*  )) assign ((resid 103 and name HA   ))   ( (resid 103 and name HG*  )) assign ((resid 103 and name HA   ))   ( (resid 106 and name HB*  )) assign ((resid 103 and name HA   ))   ( (resid 106 and name HN   )) assign ((resid 103 and name HA   ))   ( (resid 107 and name HN   )) assign ((resid 103 and name HB*  ))   ( (resid 103 and name HD*  )) assign ((resid 103 and name HB*  ))   ( (resid 103 and name HE*  )) assign ((resid 103 and name HB*  ))   ( (resid 104 and name HN   )) assign ((resid 103 and name HG*  ))   ( (resid 104 and name HN   )) assign ((resid 103 and name HN   ))   ( (resid 103 and name HB*  )) assign ((resid 103 and name HN   ))   ( (resid 103 and name HG*  )) assign ((resid 103 and name HN   ))   ( (resid 104 and name HN   )) assign ((resid 104 and name HA   ))   ( (resid 104 and name HG*  )) assign ((resid 104 and name HA   ))   ( (resid 107 and name HN   )) assign ((resid 104 and name HA   ))   ( (resid 108 and name HN   )) assign ((resid 104 and name HB*  ))   ( (resid 105 and name HA   )) assign ((resid 104 and name HB1  ))   ( (resid 105 and name HN   )) assign ((resid 104 and name HB2  ))   ( (resid 105 and name HN   )) assign ((resid 104 and name HN   ))   ( (resid 104 and name HB*  )) assign ((resid 104 and name HN   ))   ( (resid 104 and name HG1  )) assign ((resid 104 and name HN   ))   ( (resid 104 and name HG2  )) assign ((resid 104 and name HN   ))   ( (resid 105 and name HN   )) assign ((resid 104 and name HN   ))   ( (resid 106 and name HN   )) assign ((resid 105 and name HA   ))   ( (resid 105 and name HD1* )) assign ((resid 105 and name HA   ))   ( (resid 105 and name HG1* )) assign ((resid 105 and name HA   ))   ( (resid 105 and name HG2* )) assign ((resid 105 and name HA   ))   ( (resid 108 and name HB*  )) assign ((resid 105 and name HA   ))   ( (resid 108 and name HD1* )) assign ((resid 105 and name HA   ))   ( (resid 108 and name HD2* )) assign ((resid 105 and name HA   ))   ( (resid 108 and name HG   )) assign ((resid 105 and name HA   ))   ( (resid 108 and name HN   )) assign ((resid 105 and name HA   ))   ( (resid 109 and name HD1* )) assign ((resid 105 and name HA   ))   ( (resid 109 and name HG11 )) assign ((resid 105 and name HA   ))   ( (resid 109 and name HG12 )) assign ((resid 105 and name HA   ))   ( (resid 109 and name HN   )) assign ((resid 105 and name HB   ))   ( (resid 106 and name HN   )) assign ((resid 105 and name HB   ))   ( (resid 107 and name HN   )) assign ((resid 105 and name HB   ))   ( (resid 109 and name HG1* )) assign ((resid 105 and name HG1* ))   ( (resid 109 and name HD1* )) assign ((resid 105 and name HG2* ))   ( (resid 105 and name HD1* )) assign ((resid 105 and name HG2* ))   ( (resid 105 and name HG11 )) assign ((resid 105 and name HG2* ))   ( (resid 105 and name HG12 )) assign ((resid 105 and name HG2* ))   ( (resid 106 and name HA   )) assign ((resid 105 and name HG2* ))   ( (resid 106 and name HD2  )) assign ((resid 105 and name HG2* ))   ( (resid 106 and name HN   )) assign ((resid 105 and name HG2* ))   ( (resid 107 and name HN   )) assign ((resid 105 and name HG2* ))   ( (resid 109 and name HD1* )) assign ((resid 105 and name HG2* ))   ( (resid 109 and name HG11 )) assign ((resid 105 and name HG2* ))   ( (resid 109 and name HG12 )) assign ((resid 105 and name HG2* ))   ( (resid 109 and name HG2* )) assign ((resid 105 and name HG2* ))   ( (resid 109 and name HN   )) assign ((resid 105 and name HN   ))   ( (resid 105 and name HB   )) assign ((resid 105 and name HN   ))   ( (resid 105 and name HD1* )) assign ((resid 105 and name HN   ))   ( (resid 105 and name HG1* )) assign ((resid 105 and name HN   ))   ( (resid 105 and name HG2* )) assign ((resid 105 and name HN   ))   ( (resid 106 and name HN   )) assign ((resid 106 and name HA   ))   ( (resid 106 and name HD2  )) assign ((resid 106 and name HA   ))   ( (resid 109 and name HB   )) assign ((resid 106 and name HA   ))   ( (resid 109 and name HD1* )) assign ((resid 106 and name HA   ))   ( (resid 109 and name HG2* )) assign ((resid 106 and name HA   ))   ( (resid 109 and name HN   )) assign ((resid 106 and name HA   ))   ( (resid 110 and name HN   )) assign ((resid 106 and name HB*  ))   ( (resid 107 and name HN   )) assign ((resid 106 and name HD2  ))   ( (resid 109 and name HD1* )) assign ((resid 106 and name HN   ))   ( (resid 106 and name HB*  )) assign ((resid 106 and name HN   ))   ( (resid 106 and name HD2  )) assign ((resid 106 and name HN   ))   ( (resid 107 and name HN   )) assign ((resid 106 and name HN   ))   ( (resid 108 and name HG   )) assign ((resid 106 and name HN   ))   ( (resid 108 and name HN   )) assign ((resid 106 and name HN   ))   ( (resid 109 and name HD1* )) assign ((resid 107 and name HA   ))   ( (resid 110 and name HB1  )) assign ((resid 107 and name HA   ))   ( (resid 110 and name HB2  )) assign ((resid 107 and name HA   ))   ( (resid 110 and name HN   )) assign ((resid 107 and name HA   ))   ( (resid 111 and name HN   )) assign ((resid 107 and name HB*  ))   ( (resid 108 and name HD2* )) assign ((resid 107 and name HB*  ))   ( (resid 108 and name HG   )) assign ((resid 107 and name HB*  ))   ( (resid 108 and name HN   )) assign ((resid 107 and name HB*  ))   ( (resid 110 and name HB*  )) assign ((resid 107 and name HN   ))   ( (resid 107 and name HB*  )) assign ((resid 107 and name HN   ))   ( (resid 108 and name HD2* )) assign ((resid 107 and name HN   ))   ( (resid 108 and name HG   )) assign ((resid 107 and name HN   ))   ( (resid 109 and name HN   )) assign ((resid 107 and name HN   ))   ( (resid 110 and name HB1  )) assign ((resid 107 and name HN   ))   ( (resid 110 and name HB2  )) assign ((resid 108 and name HA   ))   ( (resid 108 and name HD1* )) assign ((resid 108 and name HA   ))   ( (resid 108 and name HD2* )) assign ((resid 108 and name HA   ))   ( (resid 111 and name HB*  )) assign ((resid 108 and name HA   ))   ( (resid 111 and name HN   )) assign ((resid 108 and name HB*  ))   ( (resid 108 and name HD1* )) assign ((resid 108 and name HB*  ))   ( (resid 108 and name HD2* )) assign ((resid 108 and name HB*  ))   ( (resid 109 and name HG1* )) assign ((resid 108 and name HD2* ))   ( (resid 109 and name HN   )) assign ((resid 108 and name HG   ))   ( (resid 109 and name HG1* )) assign ((resid 108 and name HG   ))   ( (resid 109 and name HN   )) assign ((resid 108 and name HN   ))   ( (resid 108 and name HD1* )) assign ((resid 108 and name HN   ))   ( (resid 108 and name HD2* )) assign ((resid 108 and name HN   ))   ( (resid 108 and name HG   )) assign ((resid 108 and name HN   ))   ( (resid 109 and name HD1* )) assign ((resid 108 and name HN   ))   ( (resid 109 and name HG1* )) assign ((resid 108 and name HN   ))   ( (resid 109 and name HN   )) assign ((resid 108 and name HN   ))   ( (resid 110 and name HN   )) assign ((resid 109 and name HA   ))   ( (resid 109 and name HD1* )) assign ((resid 109 and name HA   ))   ( (resid 112 and name HB1  )) assign ((resid 109 and name HA   ))   ( (resid 112 and name HB2  )) assign ((resid 109 and name HA   ))   ( (resid 112 and name HN   )) assign ((resid 109 and name HB   ))   ( (resid 109 and name HD1* )) assign ((resid 109 and name HB   ))   ( (resid 110 and name HN   )) assign ((resid 109 and name HD1* ))   ( (resid 110 and name HN   )) assign ((resid 109 and name HG1* ))   ( (resid 110 and name HN   )) assign ((resid 109 and name HG2* ))   ( (resid 109 and name HD1* )) assign ((resid 109 and name HG2* ))   ( (resid 109 and name HG11 )) assign ((resid 109 and name HG2* ))   ( (resid 109 and name HG12 )) assign ((resid 109 and name HG2* ))   ( (resid 110 and name HA   )) assign ((resid 109 and name HG2* ))   ( (resid 110 and name HN   )) assign ((resid 109 and name HG2* ))   ( (resid 112 and name HA   )) assign ((resid 109 and name HG2* ))   ( (resid 112 and name HB*  )) assign ((resid 109 and name HG2* ))   ( (resid 113 and name HN   )) assign ((resid 109 and name HN   ))   ( (resid 109 and name HB   )) assign ((resid 109 and name HN   ))   ( (resid 109 and name HD1* )) assign ((resid 109 and name HN   ))   ( (resid 109 and name HG11 )) assign ((resid 109 and name HN   ))   ( (resid 109 and name HG12 )) assign ((resid 109 and name HN   ))   ( (resid 109 and name HG2* )) assign ((resid 109 and name HN   ))   ( (resid 110 and name HN   )) assign ((resid 109 and name HN   ))   ( (resid 111 and name HN   )) assign ((resid 110 and name HA   ))   ( (resid 113 and name HB1  )) assign ((resid 110 and name HA   ))   ( (resid 113 and name HB2  )) assign ((resid 110 and name HA   ))   ( (resid 113 and name HN   )) assign ((resid 110 and name HB*  ))   ( (resid 111 and name HA   )) assign ((resid 110 and name HB*  ))   ( (resid 111 and name HN   )) assign ((resid 110 and name HB1  ))   ( (resid 113 and name HB*  )) assign ((resid 110 and name HB2  ))   ( (resid 113 and name HB*  )) assign ((resid 110 and name HG*  ))   ( (resid 111 and name HN   )) assign ((resid 110 and name HG*  ))   ( (resid 114 and name HE2* )) assign ((resid 110 and name HN   ))   ( (resid 110 and name HB1  )) assign ((resid 110 and name HN   ))   ( (resid 110 and name HB2  )) assign ((resid 110 and name HN   ))   ( (resid 110 and name HG*  )) assign ((resid 110 and name HN   ))   ( (resid 111 and name HN   )) assign ((resid 111 and name HA   ))   ( (resid 114 and name HN   )) assign ((resid 111 and name HA   ))   ( (resid 115 and name HN   )) assign ((resid 111 and name HB*  ))   ( (resid 112 and name HA   )) assign ((resid 111 and name HB*  ))   ( (resid 112 and name HN   )) assign ((resid 111 and name HB*  ))   ( (resid 115 and name HD*  )) assign ((resid 111 and name HN   ))   ( (resid 111 and name HB*  )) assign ((resid 111 and name HN   ))   ( (resid 112 and name HN   )) assign ((resid 111 and name HN   ))   ( (resid 113 and name HN   )) assign ((resid 112 and name HA   ))   ( (resid 115 and name HB*  )) assign ((resid 112 and name HA   ))   ( (resid 115 and name HD*  )) assign ((resid 112 and name HA   ))   ( (resid 115 and name HN  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(resid 113 and name HB2  )) assign ((resid 113 and name HN   ))   ( (resid 114 and name HN   )) assign ((resid 113 and name HN   ))   ( (resid 115 and name HN   )) assign ((resid 114 and name HA   ))   ( (resid 117 and name HB*  )) assign ((resid 114 and name HA   ))   ( (resid 117 and name HD*  )) assign ((resid 114 and name HA   ))   ( (resid 117 and name HE   )) assign ((resid 114 and name HA   ))   ( (resid 117 and name HG1  )) assign ((resid 114 and name HA   ))   ( (resid 117 and name HG2  )) assign ((resid 114 and name HA   ))   ( (resid 117 and name HN   )) assign ((resid 114 and name HB*  ))   ( (resid 114 and name HE2* )) assign ((resid 114 and name HB*  ))   ( (resid 115 and name HN   )) assign ((resid 114 and name HG*  ))   ( (resid 114 and name HE2* )) assign ((resid 114 and name HN   ))   ( (resid 114 and name HG*  )) assign ((resid 114 and name HN   ))   ( (resid 115 and name HN   )) assign ((resid 115 and name HA   ))   ( (resid 115 and name HD*  )) assign ((resid 115 and name HA   ))   ( (resid 115 and name HD1* )) assign ((resid 115 and name HA   ))   ( (resid 115 and name HD2* )) assign ((resid 115 and name HA   ))   ( (resid 116 and name HG2* )) assign ((resid 115 and name HB*  ))   ( (resid 116 and name HG2* )) assign ((resid 115 and name HB1  ))   ( (resid 115 and name HD1* )) assign ((resid 115 and name HB1  ))   ( (resid 115 and name HD2* )) assign ((resid 115 and name HB1  ))   ( (resid 116 and name HA   )) assign ((resid 115 and name HB1  ))   ( (resid 116 and name HN   )) assign ((resid 115 and name HB2  ))   ( (resid 115 and name HD1* )) assign ((resid 115 and name HB2  ))   ( (resid 115 and name HD2* )) assign ((resid 115 and name HB2  ))   ( (resid 116 and name HA   )) assign ((resid 115 and name HB2  ))   ( (resid 116 and name HN   )) assign ((resid 115 and name HN   ))   ( (resid 115 and name HB1  )) assign ((resid 115 and name HN   ))   ( (resid 115 and name HB2  )) assign ((resid 115 and name HN   ))   ( (resid 115 and name HD*  )) assign ((resid 115 and name HN   ))   ( (resid 115 and name HG   )) assign ((resid 115 and name HN   ))   ( (resid 116 and name HG2* )) assign ((resid 115 and name HN   ))   ( (resid 116 and name HN   )) assign ((resid 115 and name HN   ))   ( (resid 117 and name HN   )) assign ((resid 116 and name HA   ))   ( (resid 116 and name HG2* )) assign ((resid 116 and name HB   ))   ( (resid 117 and name HN   )) assign ((resid 116 and name HG*  ))   ( (resid 117 and name HN   )) assign ((resid 116 and name HG2* ))   ( (resid 117 and name HN   )) assign ((resid 116 and name HN   ))   ( (resid 116 and name HG*  )) assign ((resid 116 and name HN   ))   ( (resid 116 and name HG2* )) assign ((resid 116 and name HN   ))   ( (resid 117 and name HN   )) assign ((resid 117 and name HA   ))   ( (resid 117 and name HG1  )) assign ((resid 117 and name HA   ))   ( (resid 117 and name HG2  )) assign ((resid 117 and name HA   ))   ( (resid 118 and name HA   )) assign ((resid 117 and name HA   ))   ( (resid 118 and name HN   )) assign ((resid 117 and name HB*  ))   ( (resid 117 and name HD*  )) assign ((resid 117 and name HB*  ))   ( (resid 118 and name HN   )) assign ((resid 117 and name HB1  ))   ( (resid 117 and name HE   )) assign ((resid 117 and name HB2  ))   ( (resid 117 and name HE   )) assign ((resid 117 and name HG*  ))   ( (resid 118 and name HN   )) assign ((resid 117 and name HN   ))   ( (resid 117 and name HB*  )) assign ((resid 117 and name HN   ))   ( (resid 117 and name HG1  )) assign ((resid 117 and name HN   ))   ( (resid 117 and name HG2  )) assign ((resid 117 and name HN   ))   ( (resid 118 and name HN   )) assign ((resid 118 and name HA   ))   ( (resid 118 and name HD1* )) assign ((resid 118 and name HA   ))   ( (resid 118 and name HG   )) assign ((resid 118 and name HA   ))   ( (resid 119 and name HB*  )) assign ((resid 118 and name HA   ))   ( (resid 119 and name HN   )) assign ((resid 118 and name HB*  ))   ( (resid 118 and name HD1* )) assign ((resid 118 and name HB*  ))   ( (resid 118 and name HD2* )) assign ((resid 118 and name HB*  ))   ( (resid 119 and name HA   )) assign ((resid 118 and name HB*  ))   ( (resid 119 and name HN   )) assign ((resid 118 and name HB*  ))   ( (resid 120 and name HN   )) assign ((resid 118 and name HD2* ))   ( (resid 119 and name HG*  )) assign ((resid 118 and name HD2* ))   ( (resid 119 and name HN   )) assign ((resid 118 and name HN   ))   ( (resid 118 and name HB*  )) assign ((resid 118 and name HN   ))   ( (resid 118 and name HD1* )) assign ((resid 118 and name HN   ))   ( (resid 118 and name HD2* )) assign ((resid 118 and name HN   ))   ( (resid 118 and name HG   )) assign ((resid 119 and name HA   ))   ( (resid 119 and name HG1  )) assign ((resid 119 and name HA   ))   ( (resid 119 and name HG2  )) assign ((resid 119 and name HA   ))   ( (resid 120 and name HB*  )) assign ((resid 119 and name HA   ))   ( (resid 120 and name HN   )) assign ((resid 119 and name HB1  ))   ( (resid 120 and name HN   )) assign ((resid 119 and name HB2  ))   ( (resid 120 and name HN   )) assign ((resid 119 and name HG*  ))   ( (resid 120 and name HA   )) assign ((resid 119 and name HG1  ))   ( (resid 120 and name HN   )) assign ((resid 119 and name HG2  ))   ( (resid 120 and name HN   )) assign ((resid 119 and name HN   ))   ( (resid 119 and name HB*  )) assign ((resid 119 and name HN   ))   ( (resid 119 and name HG1  )) assign ((resid 119 and name HN   ))   ( (resid 119 and name HG2  )) assign ((resid 119 and name HN   ))   ( (resid 120 and name HB*  )) assign ((resid 120 and name HA   ))   ( (resid 121 and name HN   )) assign ((resid 120 and name HB*  ))   ( (resid 121 and name HN   )) assign ((resid 121 and name HA   ))   ( (resid 122 and name HN   )) assign ((resid 121 and name HB*  ))   ( (resid 122 and name HN   )) assign ((resid 122 and name HA   ))   ( (resid 123 and name HN   )) assign ((resid 122 and name HB*  ))   ( (resid 123 and name HN   )) assign ((resid 123 and name HA   ))   ( (resid 124 and name HN   ))

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2.96 1.80 0.00 2.77 1.80 0.00 3.01 1.80 0.00 4.25 1.80 0.00 4.25 1.80 0.00 4.25 1.80 0.00 3.13 1.80 0.00 4.25 1.80 0.00 2.28 1.80 0.00 1.74 1.80 0.00 4.11 1.80 0.00 2.55 1.80 0.00 4.11 1.80 0.00 2.55 1.80 0.00 1.89 1.80 0.00 4.10 1.80 0.00 4.10 1.80 0.00 2.31 1.80 0.00 2.85 1.80 0.00 3.33 1.80 0.00 2.43 1.80 0.00 2.92 1.80 0.00 2.74 1.80 0.00 3.20 1.80 0.00 3.26 1.80 0.00 3.27 1.80 0.00 3.01 1.80 0.00 2.79 1.80 0.00 3.06 1.80 0.00 2.05 1.80 0.00 4.07 1.80 0.00 4.25 1.80 0.00 4.25 1.80 0.00 1.91 1.80 0.00 3.18 1.80 0.00 4.25 1.80 0.00 4.25 1.80 0.00 1.43 1.80 0.00 4.17 1.80 0.00 4.17 1.80 0.00 1.79 1.80 0.00 1.63 1.80 0.00 2.71 1.80 0.00 2.93 1.80 0.00 2.62 1.80 0.00 2.62 1.80 0.00 1.74 1.80 0.00 4.07 1.80 0.00 1.87 1.80 0.00 1.83 1.80 0.00 2.09 1.80 0.00 2.46 1.80 0.00 2.50 1.80 0.00 2.26 1.80 0.00 4.16 1.80 0.00 3.18 1.80 0.00 4.25 1.80 0.00 4.25 1.80 0.00 2.58 1.80 0.00 3.38 1.80 0.00 4.25 1.80 0.00 3.00 1.80 0.00 3.00 1.80 0.00 3.09 1.80 0.00 2.77 1.80 0.00 2.88 1.80 0.00 2.96 1.80 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2.28 1.80 0.00 2.33 1.80 0.00 3.44 1.80 0.00 4.25 1.80 0.00 1.63 1.80 0.00 2.77 1.80 0.00 3.20 1.80 0.00 1.20 1.80 0.00 3.29 1.80 0.00 3.78 1.80 0.00 1.20 1.80 0.00 2.09 1.80 0.00 0.99 1.80 0.00 4.03 1.80 0.00 1.71 1.80 0.00 2.74 1.80 0.00 2.10 1.80 0.00 1.48 1.80 0.00 3.20 1.80 0.00 3.37 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.20 1.80 0.00 3.15 1.80 0.00 2.71 1.80 0.00 2.47 1.80 0.00 2.47 1.80 0.00 3.20 1.80 0.00 3.78 1.80 0.00 3.83 1.80 0.00 3.48 1.80 0.00 1.54 1.80 0.00 1.81 1.80 0.00 2.91 1.80 0.00 2.63 1.80 0.00 3.23 1.80 0.00 2.07 1.80 0.00 4.18 1.80 0.00 3.47 1.80 0.00 4.25 1.80 0.00 3.13 1.80 0.00 1.60 1.80 0.00 2.41 1.80 0.00 1.48 1.80 0.00 3.39 1.80 0.00 1.82 1.80 0.00 1.58 1.80 0.00 4.25 1.80 0.00 2.40 1.80 0.00 3.38 1.80 0.00 2.61 1.80 0.00 4.07 1.80 0.00 1.87 1.80 0.00 3.00 1.80 0.00 2.27 1.80 0.00 1.59 1.80 0.00 3.70 1.80 0.00 3.02 1.80 0.00 3.59 1.80 0.00 1.61 1.80 0.00 3.71 1.80 0.00 4.25 1.80 0.00 3.59 1.80 0.00 3.59 1.80 0.00 4.25 1.80 0.00 3.34 1.80 0.00 3.22 1.80 0.00 2.59 1.80 0.00 3.34 1.80 0.00 3.22 1.80 0.00 2.59 1.80 0.00 2.27 1.80 0.00 2.27 1.80 0.00 4.10 1.80 0.00 3.00 1.80 0.00 4.25 1.80 0.00 3.20 1.80 0.00 1.93 1.80 0.00 2.06 1.80 0.00 2.37 1.80 0.00 2.99 1.80 0.00 3.48 1.80 0.00 3.06 1.80 0.00 2.74 1.80 0.00 2.48 1.80 0.00 2.75 1.80 0.00 1.90 1.80 0.00 2.66 1.80 0.00 1.25 1.80 0.00 3.01 1.80 0.00 3.56 1.80 0.00 2.95 1.80 0.00 3.50 1.80 0.00 2.77 1.80 0.00 2.59 1.80 0.00 1.80 1.80 0.00 3.37 1.80 0.00 1.74 1.80 0.00 2.69 1.80 0.00 2.74 1.80 0.00 1.62 1.80 0.00 2.92 1.80 0.00 1.67 1.80 0.00 1.93 1.80 0.00 1.97 1.80 0.00 2.16 1.80 0.00 3.68 1.80 0.00 3.68 1.80 0.00 3.98 1.80 0.00 1.91 1.80 0.00 2.08 1.80 0.00 1.61 1.80 0.00 4.25 1.80 0.00 3.17 1.80 0.00 3.48 1.80 0.00 1.79 1.80 0.00 2.02 1.80 0.00 3.62 1.80 0.00 2.35 1.80 0.00 3.03 1.80 0.00 4.05 1.80 0.00 4.25 1.80 0.00 3.12 1.80 0.00 1.92 1.80 0.00 4.17 1.80 0.00 3.20 1.80 0.00 2.36 1.80 0.00 4.25 1.80 0.00 2.36 1.80 0.00 4.25 1.80 0.00 3.38 1.80 0.00 3.45 1.80 0.00 3.09 1.80 0.00 2.24 1.80 0.00 2.84 1.80 0.00 3.84 1.80 0.00 2.17 1.80 0.00 4.03 1.80 0.00 2.94 1.80 0.00 3.20 1.80 0.00 1.93 1.80 0.00 2.79 1.80 0.00 3.01 1.80 0.00 3.01 1.80 0.00 2.70 1.80 0.00 3.62 1.80 0.00 2.99 1.80 0.00 2.99 1.80 0.00 2.86 1.80 0.00 3.64 1.80 0.00 3.42 1.80 0.00 3.30 1.80 0.00 1.54 1.80 0.00 2.16 1.80 0.00 4.25 1.80 0.00 3.94 1.80 0.00 3.52 1.80 0.00 4.25 1.80 0.00 4.18 1.80 0.00 3.74 1.80 0.00 3.74 1.80 0.00 3.64 1.80 0.00 2.84 1.80 0.00 2.84 1.80 0.00 1.75 1.80 0.00 2.61 1.80 0.00 2.68 1.80 0.00 4.07 1.80 0.00 2.43 1.80 0.00 3.41 1.80 0.00 3.41 1.80 0.00 1.76 1.80 0.00 3.20 1.80 0.00 3.45 1.80 0.00 2.85 1.80 0.00 2.85 1.80 0.00 2.85 1.80 0.00 2.85 1.80 0.00 4.25 1.80 0.00 3.79 1.80 0.00 3.79 1.80 0.00 3.20 1.80 0.00 1.74 1.80 0.00 2.26 1.80 0.00 3.62 1.80 0.00 1.50 1.80 0.00 3.17 1.80 0.00 2.48 1.80 0.00 2.48 1.80 0.00 1.38 1.80 0.00 3.01 1.80 0.00 3.26 1.80 0.00 3.01 1.80 0.00 2.37 1.80 0.00 3.24 1.80 0.00 3.34 1.80 0.00 2.42 1.80 0.00 3.20 1.80 0.00 2.47 1.80 0.00 2.61 1.80 0.00 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3.32 1.80 0.00 3.69 1.80 0.00 2.72 1.80 0.00 1.97 1.80 0.00 2.72 1.80 0.00 1.97 1.80 0.00 3.40 1.80 0.00 3.22 1.80 0.00 4.09 1.80 0.00 1.90 1.80 0.00 2.90 1.80 0.00 3.58 1.80 0.00 3.58 1.80 0.00 4.25 1.80 0.00 4.25 1.80 0.00 2.46 1.80 0.00 2.79 1.80 0.00 2.70 1.80 0.00 1.97 1.80 0.00 3.19 1.80 0.00 3.17 1.80 0.00 3.23 1.80 0.00 2.95 1.80 0.00 1.59 1.80 0.00 2.30 1.80 0.00 1.59 1.80 0.00 2.52 1.80 0.00 3.57 1.80 0.00 3.70 1.80 0.00 2.58 1.80 0.00 3.63 1.80 0.00 2.94 1.80 0.00 3.29 1.80 0.00 2.88 1.80 0.00 3.36 1.80 0.00 3.58 1.80 0.00 1.96 1.80 0.00 1.63 1.80 0.00 2.06 1.80 0.00 2.19 1.80 0.00 3.21 1.80 0.00 4.06 1.80 0.00 2.70 1.80 0.00 2.92 1.80 0.00 2.23 1.80 0.00 2.53 1.80 0.00 2.67 1.80 0.00 3.19 1.80 0.00 1.24 1.80 0.00 3.37 1.80 0.00 4.25 1.80 0.00 4.25 1.80 0.00 2.90 1.80 0.00 3.57 1.80 0.00 1.61 1.80 0.00 2.61 1.80 0.00 1.61 1.80 0.00 2.61 1.80 0.00 3.08 1.80 0.00 2.38 1.80 0.00 3.82 1.80 0.00 2.73 1.80 0.00 2.73 1.80 0.00 3.20 1.80 0.00 2.58 1.80 0.00 1.92 1.80 0.00 3.14 1.80 0.00 3.46 1.80 0.00 3.02 1.80 0.00 2.75 1.80 0.00 2.39 1.80 0.00 2.39 1.80 0.00 2.69 1.80 0.00 2.23 1.80 0.00 2.30 1.80 0.00 3.39 1.80 0.00 3.56 1.80 0.00 4.07 1.80 0.00 2.64 1.80 0.00 3.27 1.80 0.00 1.71 1.80 0.00 3.76 1.80 0.00 3.27 1.80 0.00 1.71 1.80 0.00 3.76 1.80 0.00 3.14 1.80 0.00 3.49 1.80 0.00 3.49 1.80 0.00 2.80 1.80 0.00 2.18 1.80 0.00 1.87 1.80 0.00 3.35 1.80 0.00 2.90 1.80 0.00 3.59 1.80 0.00 3.01 1.80 0.00 3.24 1.80 0.00 2.62 1.80 0.00 1.56 1.80 0.00 3.17 1.80 0.00 3.04 1.80 0.00 2.85 1.80 0.00 3.58 1.80 0.00 1.17 1.80 0.00 3.46 1.80 0.00 3.29 1.80 0.00 4.25 1.80 0.00 3.30 1.80 0.00 2.04 1.80 0.00 2.33 1.80 0.00 2.59 1.80 0.00 4.01 1.80 0.00 1.80 1.80 0.00 3.24 1.80 0.00 3.20 1.80 0.00 3.02 1.80 0.00 1.71 1.80 0.00 1.89 1.80 0.00 1.62 1.80 0.00 1.82 1.80 0.00 2.84 1.80 0.00 3.20 1.80 0.00 3.78 1.80 0.00 2.99 1.80 0.00 2.99 1.80 0.00 1.54 1.80 0.00 2.60 1.80 0.00 2.60 1.80 0.00 1.70 1.80 0.00 3.11 1.80 0.00 2.70 1.80 0.00 2.12 1.80 0.00 1.68 1.80 0.00 3.21 1.80 0.00 1.72 1.80 0.00 4.22 1.80 0.00 2.16 1.80 0.00 2.50 1.80 0.00 4.13 1.80 0.00 4.25 1.80 0.00 4.25 1.80 0.00 3.49 1.80 0.00 1.98 1.80 0.00 3.87 1.80 0.00 4.25 1.80 0.00 4.07 1.80 0.00 1.59 1.80 0.00 2.75 1.80 0.00 2.75 1.80 0.00 3.04 1.80 0.00 2.78 1.80 0.00 2.31 1.80 0.00 3.89 1.80 0.00 1.26 1.80 0.00 3.02 1.80 0.00 3.02 1.80 0.00 3.01 1.80 0.00 3.49 1.80 0.00 1.65 1.80 0.00 2.38 1.80 0.00 1.42 1.80 0.00 2.66 1.80 0.00 1.93 1.80 0.00 2.16 1.80 0.00 2.85 1.80 0.00 2.14 1.80 0.00 3.46 1.80 0.00 3.16 1.80 0.00 3.20 1.80 0.00 1.79 1.80 0.00 2.29 1.80 0.00 1.67 1.80 0.00 2.68 1.80 0.00 1.89 1.80 0.00 4.12 1.80 0.00 3.72 1.80 0.00 3.84 1.80 0.00 3.33 1.80 0.00 3.33 1.80 0.00 3.37 1.80 0.00 4.25 1.80 0.00 2.37 1.80 0.00 2.82 1.80 0.00 1.99 1.80 0.00 4.25 1.80 0.00 1.37 1.80 0.00 4.12 1.80 0.00 2.78 1.80 0.00 3.63 1.80 0.00 4.25 1.80 0.00 4.25 1.80 0.00 2.90 1.80 0.00 1.42 1.80 0.00 3.39 1.80 0.00 2.90 1.80 0.00 1.61 1.80 0.00 1.59 1.80 0.00 4.25 1.80 0.00 3.78 1.80 0.00 4.25 1.80 0.00 3.24 1.80 0.00 2.40 1.80 0.00 2.02 1.80 0.00 1.40 1.80 0.00 4.25 1.80 0.00 4.25 1.80 0.00 2.10 1.80 0.00 3.70 1.80 0.00 3.01 1.80 0.00 2.91 1.80 0.00 2.91 1.80 0.00 2.93 1.80 0.00 1.89 1.80 0.00 2.73 1.80 0.00 4.25 1.80 0.00 4.03 1.80 0.00 1.39 1.80 0.00 2.86 1.80 0.00 2.86 1.80 0.00 3.17 1.80 0.00 2.63 1.80 0.00 4.25 1.80 0.00 3.49 1.80 0.00 3.09 1.80 0.00 1.86 1.80 0.00 2.92 1.80 0.00 2.40 1.80 0.00 2.40 1.80 0.00 2.38 1.80 0.00 2.28 1.80 0.00 3.52 1.80 0.00 3.16 1.80 0.00 3.16 1.80 0.00 2.36 1.80 0.00 3.15 1.80 0.00 1.80 1.80 0.00 4.25 1.80 0.00 4.25 1.80 0.00 2.78 1.80 0.00 3.44 1.80 0.00 1.80 1.80 0.00 1.80 1.80 0.00 2.74 1.80 0.00 2.35 1.80 0.00 3.40 1.80 0.00 3.70 1.80 0.00 2.73 1.80 0.00 1.94 1.80 0.00 2.90 1.80 0.00 1.57 1.80 0.00 1.94 1.80 0.00 4.20 1.80 0.00 2.55 1.80 0.00 2.55 1.80 0.00 2.67 1.80 0.00 2.56 1.80 0.00 3.20 1.80 0.00 3.15 1.80 0.00 3.15 1.80 0.00 2.37 1.80 0.00 2.37 1.80 0.00 2.24 1.80 0.00 3.40 1.80 0.00 3.91 1.80 0.00 4.22 1.80 0.00 3.66 1.80 0.00 3.30 1.80 0.00 3.30 1.80 0.00 2.20 1.80 0.00 2.20 1.80 0.00 2.48 1.80 0.00 4.07 1.80 0.00 2.31 1.80 0.00 2.83 1.80 0.00 4.25 1.80 0.00 3.84 1.80 0.00 3.84 1.80 0.00 2.84 1.80 0.00 2.83 1.80 0.00 2.61 1.80 0.00 1.67 1.80 0.00 2.02 1.80 0.00 2.40 1.80 0.00 1.47 1.80 0.00 2.45 1.80 0.00 2.45 1.80 0.00 3.50 1.80 0.00 1.86 1.80 0.00 2.42 1.80 0.00 2.42 1.80 0.00 3.66 1.80 0.00 3.60 1.80 0.00 2.42 1.80 0.00 2.42 1.80 0.00 3.66 1.80 0.00 3.60 1.80 0.00 2.24 1.80 0.00 2.24 1.80 0.00 2.48 1.80 0.00 2.41 1.80 0.00 3.74 1.80 0.00 2.25 1.80 0.00 3.27 1.80 0.00 1.71 1.80 0.00 3.36 1.80 0.00 3.09 1.80 0.00 3.27 1.80 0.00 2.20 1.80 0.00 2.08 1.80 0.00 1.64 1.80 0.00 2.51 1.80 0.00 2.51 1.80 0.00 3.71 1.80 0.00 1.83 1.80 0.00 1.75 1.80 0.00 2.62 1.80 0.00 4.25 1.80 0.00 4.25 1.80 0.00 3.53 1.80 0.00 1.47 1.80 0.00 3.13 1.80 0.00 3.13 1.80 0.00 3.24 1.80 0.00 2.59 1.80 0.00 2.24 1.80 0.00 3.51 1.80 0.00 1.13 1.80 0.00 1.32 1.80 0.00 1.36 1.80 0.00 3.14 1.80 0.00 2.80 1.80 0.00 3.92 1.80 0.00 3.66 1.80 0.00 3.20 1.80 0.00 1.68 1.80 0.00 2.48 1.80 0.00 3.56 1.80 0.00 2.36 1.80 0.00 2.57 1.80 0.00 2.57 1.80 0.00 3.55 1.80 0.00 1.09 1.80 0.00 3.87 1.80 0.00 3.87 1.80 0.00 4.09 1.80 0.00 4.25 1.80 0.00 4.25 1.80 0.00 1.98 1.80 0.00 2.70 1.80 0.00 2.70 1.80 0.00 3.64 1.80 0.00 1.67 1.80 0.00 2.31 1.80 0.00 1.20 1.80 0.00 1.62 1.80 0.00 1.76 1.80 0.00 2.61 1.80 0.00 1.76

list of removed NOE constraints

   313-> TYR    14 HN   - ASP     15 HA    1.80  4.92 	 # NoRestrctn S [2.00 3.99] -- sequential
   440-> PHE    25 HN   - PRO     26 HA    1.80  5.52 	 # NoRestrctn S [2.00 3.99] -- sequential
   833-> ILE    51 HN   - GLY     52 HA*   1.80  5.56 	 # NoRestrctn S [2.00 3.55] -- sequential
   889-> LYS    57 HA   - ARG     58 HN    1.80  3.99 	 # NoRestrctn S [2.00 3.99] -- sequential
  1176-> LEU    70 HN   - VAL     71 HA    1.80  5.47 	 # NoRestrctn S [2.00 3.99] -- sequential
 ====== TOTAL ======:  5

table of distance constraints violations


  Residual Violations greater than 0.10 

    4-> MET      1 HA   - GLN      5 HB*  [ 1.80  4.80]  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  0.00  0.00  0.00  0.00  0.00  0.90 -   1 [ 0.90 ..  0.90]
    5-> MET      1 HB*  - MET      1 HE*  [ 1.80  3.44]  0.17  0.00  0.30  0.00  0.00  0.00  0.00  0.16  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.11  0.00  0.00  0.16  0.00 -   5 [ 0.11 ..  0.30]
    9-> MET      1 HB*  - ALA    102 HB*  [ 1.80  4.80]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.08  0.00  0.00  0.00  0.00  0.43  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.08 ..  0.43]
   13-> MET      1 HE*  - PHE      6 HA   [ 1.80  3.95]  0.00  0.76  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  0.00  0.00 -   2 [ 0.13 ..  0.76]
   16-> MET      1 HE*  - PHE      6 HN   [ 1.80  5.02]  0.00  0.45  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.01  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.01 ..  0.45]
   17-> MET      1 HE*  - TYR      9 HB*  [ 1.80  5.09]  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  0.00  0.00  0.00  0.00  0.00  0.34 -   1 [ 0.34 ..  0.34]
   20-> MET      1 HE*  - LEU     96 HD2* [ 1.80  4.26]  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  0.02  0.00  0.00  0.00  0.13  0.00  0.00 -   2 [ 0.02 ..  0.13]
   21-> MET      1 HE*  - ALA    102 HA   [ 1.80  3.61]  0.27  0.00  0.43  0.78  0.48  0.00  0.00  0.03  0.95  1.27  0.00  0.00  0.00  0.00  1.47  0.45  0.00  0.78  0.00  1.36 -  11 [ 0.03 ..  1.47]
   22-> MET      1 HE*  - ALA    102 HB*  [ 1.80  3.93]  0.00  0.00  0.05  0.95  0.01  0.00  0.00  0.00  0.66  0.38  0.00  0.00  0.00  0.00  0.89  0.00  0.00  0.00  0.00  0.96 -   7 [ 0.01 ..  0.96]
   23-> MET      1 HE*  - ILE    105 HD1* [ 1.80  3.85]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.65  0.00  0.00  0.00  0.00  0.44  0.06  0.02  0.91  0.00  0.00 -   5 [ 0.02 ..  0.91]
   24-> MET      1 HE*  - ILE    105 HG1* [ 1.80  5.01]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.87  0.00  0.00  0.00  0.00  0.68  0.08  0.25  0.73  0.00  0.11 -   6 [ 0.08 ..  0.87]
   25-> MET      1 HE*  - ILE    105 HG2* [ 1.80  3.29]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.39  0.00  0.00  0.00  0.00  0.21  0.00  0.27  0.32  0.00  0.00 -   4 [ 0.21 ..  0.39]
   26-> MET      1 HE*  - HIS    106 HD2  [ 1.80  3.79]  3.33  0.00  1.77  1.88  0.00  0.54  0.00  1.41  4.01  0.00  0.00  0.48  1.25  0.00  0.00  1.35  0.00  0.16  1.27  2.69 -  12 [ 0.16 ..  4.01]
   27-> MET      1 HE*  - HIS    106 HN   [ 1.80  5.47]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.31  0.00  0.00  0.00  0.00  0.24  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.24 ..  0.31]
   31-> MET      1 HG*  - GLN      5 HB*  [ 1.80  3.47]  0.00  0.00  0.00  0.00  1.11  0.00  0.00  0.00  0.00  0.15  0.00  0.00  0.00  0.00  0.16  0.00  0.30  0.43  0.00  0.00 -   5 [ 0.15 ..  1.11]
   32-> MET      1 HG*  - PHE      6 HN   [ 1.80  4.69]  0.00  0.00  0.00  0.00  1.33  0.00  0.00  0.00  0.00  0.65  0.00  0.00  0.00  0.00  0.78  0.00  0.00  0.89  0.00  0.06 -   5 [ 0.06 ..  1.33]
   35-> MET      1 HG*  - LEU     96 HD2* [ 1.80  4.19]  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  0.00  0.00  0.00  0.77  0.00  0.00 -   1 [ 0.77 ..  0.77]
   38-> MET      1 HG3  - ASN      2 HN   [ 1.80  4.76]  0.00  0.00  0.00  0.00  0.39  0.00  0.00  0.00  0.00  0.13  0.00  0.00  0.00  0.00  0.04  0.00  0.00  0.09  0.00  0.00 -   4 [ 0.04 ..  0.39]
   39-> MET      1 HG3  - GLN      5 HB3  [ 1.80  4.73]  0.00  0.00  0.04  0.00  0.84  0.00  0.00  0.00  0.00  0.94  0.00  0.00  0.00  0.00  0.98  0.00  0.42  1.27  0.00  0.87 -   7 [ 0.04 ..  1.27]
   40-> MET      1 HG3  - GLN      5 HB2  [ 1.80  4.73]  0.00  0.00  0.00  0.00  2.28  0.00  0.00  0.00  0.00  0.85  0.00  0.00  0.00  0.00  0.94  0.00  0.00  1.02  0.00  0.00 -   4 [ 0.85 ..  2.28]
   42-> MET      1 HG2  - ASN      2 HN   [ 1.80  4.76]  0.00  0.00  0.00  0.00  0.20  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  0.00 -   1 [ 0.20 ..  0.20]
   43-> MET      1 HG2  - GLN      5 HB3  [ 1.80  4.73]  0.00  0.00  0.87  0.00  0.47  0.00  0.00  0.00  0.00  0.00  0.03  0.00  0.00  0.00  0.00  0.00  1.58  0.00  0.00  0.00 -   4 [ 0.03 ..  1.58]
   44-> MET      1 HG2  - GLN      5 HB2  [ 1.80  4.73]  0.00  0.00  0.00  0.00  1.55  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.71  0.00  0.00  0.00 -   2 [ 0.71 ..  1.55]
   47-> ASN      2 HA   - LEU     96 HB*  [ 1.80  4.89]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.41  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.61 -   2 [ 0.41 ..  0.61]
   48-> ASN      2 HA   - LEU     96 HD1* [ 1.80  4.95]  0.00  0.00  0.00  1.12  0.00  0.00  0.00  2.22  0.00  0.00  1.31  0.00  0.00  1.39  0.00  0.00  0.00  1.23  0.00  0.02 -   6 [ 0.02 ..  2.22]
   49-> ASN      2 HA   - LEU     96 HD2* [ 1.80  5.20]  0.00  0.59  0.00  0.00  0.00  0.12  0.85  0.00  0.00  0.47  0.00  0.52  0.81  0.00  0.00  0.62  0.23  0.00  0.74  1.16 -  10 [ 0.12 ..  1.16]
   50-> ASN      2 HB*  - ARG      3 HN   [ 1.80  3.44]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.19  0.00  0.00  0.00  0.00  0.00  0.00  0.19  0.28 -   3 [ 0.19 ..  0.28]
   52-> ASN      2 HN   - GLN      5 HB*  [ 1.80  4.14]  0.00  0.00  0.00  0.00  0.10  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  0.38 -   2 [ 0.10 ..  0.38]
   54-> ASN      2 HN   - GLN      5 HG2  [ 1.80  5.35]  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  0.00  0.00  0.00  0.00  0.00  0.24 -   1 [ 0.24 ..  0.24]
   61-> ARG      3 HA   - LEU     96 HD1* [ 1.80  3.81]  0.00  0.00  0.00  0.75  0.00  0.00  0.00  1.79  0.00  0.00  1.97  0.00  0.00  1.69  0.00  0.00  0.00  1.65  0.00  0.00 -   5 [ 0.75 ..  1.97]
   62-> ARG      3 HA   - LEU     96 HD2* [ 1.80  5.37]  0.00  0.00  0.00  0.00  0.19  0.00  0.00  0.00  0.00  0.06  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.06 ..  0.19]
   66-> ARG      3 HB*  - LEU     96 HD1* [ 1.80  4.52]  0.00  0.00  0.00  0.21  0.00  0.00  0.00  1.91  0.00  0.00  1.72  0.00  0.00  1.62  0.00  0.00  0.00  1.78  0.00  0.00 -   5 [ 0.21 ..  1.91]
   68-> ARG      3 HD*  - LEU     43 HD1* [ 1.80  4.57]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.13  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.13 ..  0.13]
   70-> ARG      3 HD3  - ILE      7 HD1* [ 1.80  6.05]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.57  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.07  0.00  0.00  0.00  0.00 -   2 [ 0.07 ..  0.57]
   72-> ARG      3 HE   - ILE      7 HD1* [ 1.80  6.05]  0.45  0.00  0.00  0.00  0.00  0.45  0.00  0.09  0.00  0.00  0.00  0.00  0.26  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   4 [ 0.09 ..  0.45]
   73-> ARG      3 HE   - LEU     43 HD1* [ 1.80  4.93]  0.15  1.19  1.31  0.26  0.56  0.00  1.17  0.51  0.68  0.80  0.12  0.95  0.00  0.00  1.60  1.14  0.77  0.00  0.58  0.36 -  16 [ 0.12 ..  1.60]
   75-> ARG      3 HG*  - GLN      4 HN   [ 1.80  4.08]  0.32  0.00  0.00  0.00  0.00  0.00  0.00  0.30  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.30 ..  0.32]
   76-> ARG      3 HG*  - LEU     43 HD2* [ 1.80  3.54]  0.00  0.00  0.00  0.00  0.00  0.42  0.00  0.00  0.00  0.00  0.00  0.00  0.12  0.00  0.20  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.12 ..  0.42]
   77-> ARG      3 HG3  - ILE      7 HD1* [ 1.80  5.91]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.34  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 [ 0.34 ..  0.34]
   78-> ARG      3 HG3  - LEU     43 HD1* [ 1.80  4.35]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.76  0.00  0.24  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.00 ..  0.76]
   80-> ARG      3 HG2  - LEU     43 HD1* [ 1.80  4.35]  0.00  0.18  0.21  0.00  0.00  0.23  0.17  0.00  0.28  0.00  0.00  0.31  0.90  0.00  0.30  0.13  0.20  0.00  0.18  0.20 -  12 [ 0.13 ..  0.90]
   85-> ARG      3 HN   - LEU     96 HD1* [ 1.80  4.65]  0.00  0.00  0.00  1.29  0.00  0.00  0.00  2.44  0.00  0.00  1.89  0.00  0.00  1.82  0.00  0.00  0.00  1.98  0.00  0.00 -   5 [ 1.29 ..  2.44]
   93-> GLN      4 HB*  - GLN      5 HG*  [ 1.80  4.81]  0.00  0.00  0.00  0.00  0.84  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  0.00 -   1 [ 0.84 ..  0.84]
   95-> GLN      4 HE2* - ILE      7 HG1* [ 1.80  4.86]  0.00  1.68  0.11  0.00  0.00  0.00  0.11  0.00  1.80  1.84  1.76  0.00  1.84  1.83  1.52  2.58  0.00  0.00  1.80  0.00 -  11 [ 0.11 ..  2.58]
   96-> GLN      4 HE2* - ILE      7 HG2* [ 1.80  3.85]  0.00  2.61  0.00  0.00  0.00  0.00  0.00  0.00  2.57  2.71  2.45  0.00  2.52  2.56  2.57  3.26  0.00  0.00  2.59  0.00 -   9 [ 2.45 ..  3.26]
   97-> GLN      4 HE2* - ASP      8 HN   [ 1.80  5.87]  0.00  2.21  0.00  0.00  0.00  0.00  0.00  0.00  2.10  2.13  2.22  0.00  2.18  2.12  2.22  2.34  0.00  0.00  2.21  0.00 -   9 [ 2.10 ..  2.34]
   98-> GLN      4 HE21 - ILE      7 HB   [ 1.80  6.05]  0.00  0.98  0.00  0.00  0.00  0.00  0.00  0.00  0.84  1.07  0.94  0.00  0.91  0.97  1.01  1.59  0.00  0.00  0.99  0.00 -   9 [ 0.84 ..  1.59]
   99-> GLN      4 HE22 - ILE      7 HB   [ 1.80  6.05]  0.00  1.97  0.00  0.00  0.00  0.00  0.00  0.00  1.91  2.01  1.89  0.00  1.92  1.93  2.02  2.56  0.00  0.00  1.91  0.00 -   9 [ 1.89 ..  2.56]
  101-> GLN      4 HG*  - ASP      8 HN   [ 1.80  4.98]  0.00  0.96  0.00  0.00  0.00  0.00  0.00  0.00  0.80  0.91  0.98  0.00  0.94  0.89  0.98  1.08  0.00  0.00  0.95  0.00 -   9 [ 0.80 ..  1.08]
  116-> GLN      5 HN   - GLN      5 HG*  [ 1.80  3.63]  0.00  0.00  0.00  0.00  0.39  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  0.00 -   1 [ 0.39 ..  0.39]
  128-> PHE      6 HB3  - LEU     96 HD1* [ 1.80  4.80]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.89  0.00  0.00  1.02  0.00  0.00  0.61  0.00  0.00  0.00  0.21  0.00  0.00 -   4 [ 0.21 ..  1.02]
  129-> PHE      6 HB2  - LEU     96 HD1* [ 1.80  4.80]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.27  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.27 ..  0.27]
  131-> PHE      6 HD*  - ILE      7 HD1* [ 1.80  4.57]  0.07  0.13  0.00  0.00  0.35  0.00  0.00  0.00  0.00  0.34  0.78  0.00  0.02  0.32  0.51  0.00  0.00  0.30  0.00  0.04 -  10 [ 0.02 ..  0.78]
  148-> PHE      6 HE*  - ILE    105 HG2* [ 1.80  5.17]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.38  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.54 -   2 [ 0.38 ..  0.54]
  155-> PHE      6 HN   - LEU     43 HD1* [ 1.80  5.27]  0.00  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  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.13 ..  0.13]
  156-> PHE      6 HN   - LEU     96 HD1* [ 1.80  5.05]  0.00  0.00  0.00  0.35  0.00  0.00  0.00  1.22  0.00  0.00  1.74  0.00  0.00  1.21  0.00  0.00  0.00  0.76  0.00  0.00 -   5 [ 0.35 ..  1.74]
  160-> PHE      6 HZ   - LEU     64 HD2* [ 1.80  5.17]  0.00  0.00  0.00  0.00  0.00  0.00  2.30  0.00  0.00  0.00  0.00  1.21  0.13  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.13 ..  2.30]
  168-> ILE      7 HA   - PHE     31 HE*  [ 1.80  5.02]  0.00  0.00  0.00  0.00  0.00  0.00  0.77  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 [ 0.77 ..  0.77]
  169-> ILE      7 HA   - PHE     31 HZ   [ 1.80  4.94]  0.00  0.00  0.00  0.00  0.00  0.00  2.81  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 [ 2.81 ..  2.81]
  170-> ILE      7 HA   - LEU     43 HD1* [ 1.80  5.37]  0.00  0.00  0.42  0.71  0.36  0.00  0.45  1.09  0.71  0.02  1.02  0.22  0.26  0.28  0.00  0.21  0.40  0.27  0.52  0.46 -  16 [ 0.02 ..  1.09]
  175-> ILE      7 HD1* - PRO     18 HD*  [ 1.80  5.58]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.69  0.00  0.00  1.40  0.00  0.00  2.04  0.00  0.00 -   3 [ 0.69 ..  2.04]
  176-> ILE      7 HD1* - PHE     31 HD*  [ 1.80  5.87]  0.00  0.20  0.00  0.02  0.16  0.04  0.00  0.00  0.00  0.16  0.20  0.00  0.19  0.28  0.15  0.00  0.00  0.30  0.11  0.17 -  12 [ 0.02 ..  0.30]
  177-> ILE      7 HD1* - PHE     31 HE*  [ 1.80  4.99]  0.00  0.00  0.00  0.00  0.00  0.00  2.17  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 [ 2.17 ..  2.17]
  178-> ILE      7 HD1* - PHE     31 HZ   [ 1.80  4.47]  0.00  0.00  0.00  0.00  0.00  0.00  4.75  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 [ 4.75 ..  4.75]
  179-> ILE      7 HD1* - LEU     43 HB*  [ 1.80  4.52]  0.00  0.00  0.00  0.00  0.12  0.00  0.00  0.29  0.13  0.05  0.51  0.00  0.00  0.20  0.38  0.00  0.00  0.00  0.00  0.00 -   8 [ 0.00 ..  0.51]
  180-> ILE      7 HD1* - LEU     43 HD1* [ 1.80  3.95]  0.46  0.53  0.44  0.54  0.82  0.00  0.50  1.29  0.79  0.64  1.33  0.26  0.82  0.80  0.71  0.48  0.38  0.61  0.57  0.46 -  19 [ 0.26 ..  1.33]
  184-> ILE      7 HG1* - PHE     31 HZ   [ 1.80  5.19]  0.00  0.00  0.00  0.00  0.00  0.00  3.06  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 [ 3.06 ..  3.06]
  189-> ILE      7 HG2* - GLN     11 HE21 [ 1.80  5.56]  0.00  0.00  0.00  0.00  0.00  0.90  0.00  0.00  0.00  0.00  0.16  0.00  0.46  0.00  0.00  0.00  0.15  0.36  1.28  1.44 -   7 [ 0.15 ..  1.44]
  190-> ILE      7 HG2* - GLN     11 HE22 [ 1.80  5.33]  0.00  0.00  0.00  0.00  0.00  0.56  0.00  0.00  0.00  0.00  0.00  0.00  0.06  0.00  0.00  0.00  0.00  0.00  1.05  1.09 -   4 [ 0.06 ..  1.09]
  191-> ILE      7 HG2* - GLN     11 HG*  [ 1.80  4.48]  0.00  0.00  0.00  0.00  0.00  0.40  0.00  0.00  0.00  0.00  0.00  0.00  0.13  0.00  0.00  0.00  0.00  0.08  0.54  0.86 -   5 [ 0.08 ..  0.86]
  192-> ILE      7 HG2* - LYS     17 HA   [ 1.80  6.05]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.30  0.00  0.00  0.96  0.00  0.00  2.02  0.00  0.00 -   3 [ 0.30 ..  2.02]
  193-> ILE      7 HG2* - PRO     18 HD*  [ 1.80  5.15]  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  0.00  0.00  0.00  0.43  0.00  0.00 -   1 [ 0.43 ..  0.43]
  195-> ILE      7 HG2* - PHE     31 HZ   [ 1.80  5.17]  0.00  0.00  0.00  0.00  0.00  0.00  2.05  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 [ 2.05 ..  2.05]
  201-> ILE      7 HN   - LEU     96 HD1* [ 1.80  6.05]  0.00  0.00  0.00  0.82  0.00  0.00  0.00  1.73  0.00  0.00  1.98  0.00  0.00  1.52  0.00  0.00  0.00  1.16  0.00  0.00 -   5 [ 0.82 ..  1.98]
  204-> ASP      8 HA   - GLN     11 HG*  [ 1.80  4.08]  1.07  0.00  0.00  0.00  0.00  1.06  0.96  0.00  0.00  0.00  0.51  0.93  0.84  0.00  0.00  0.00  0.44  1.31  0.65  0.81 -  10 [ 0.44 ..  1.31]
  219-> TYR      9 HD*  - ILE    109 HG2* [ 1.80  4.84]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.30  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.30 ..  0.30]
  220-> TYR      9 HE*  - LYS     13 HD*  [ 1.80  5.47]  2.34  0.00  1.19  1.95  0.00  1.63  0.00  2.82  0.89  0.00  0.00  0.00  2.46  0.00  0.00  3.58  0.00  0.00  2.16  0.12 -  10 [ 0.12 ..  3.58]
  221-> TYR      9 HE*  - LYS     13 HG*  [ 1.80  5.25]  3.53  0.00  1.16  0.70  0.00  0.62  0.00  3.38  0.00  0.00  0.00  0.00  1.39  0.00  0.00  4.10  0.00  0.00  0.65  1.99 -   9 [ 0.62 ..  4.10]
  222-> TYR      9 HE*  - TYR     14 HE*  [ 1.80  4.88]  6.21  0.00  1.53  4.41  0.00  4.43  0.00  5.41  2.56  0.00  0.00  0.85  5.45  0.00  0.00  6.47  0.00  0.83  4.17  4.62 -  12 [ 0.83 ..  6.47]
  223-> TYR      9 HE*  - HIS    106 HA   [ 1.80  5.52]  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  0.00  0.00  0.00  0.21  0.00  0.00 -   1 [ 0.21 ..  0.21]
  224-> TYR      9 HE*  - ILE    109 HD1* [ 1.80  3.98]  0.49  0.00  0.00  0.00  0.00  0.13  0.00  0.00  0.00  0.00  0.00  0.32  0.53  0.00  0.00  0.00  0.00  0.84  0.07  0.00 -   6 [ 0.07 ..  0.84]
  225-> TYR      9 HE*  - ILE    109 HG1* [ 1.80  6.05]  0.47  0.00  0.00  0.00  0.00  0.20  0.00  0.00  0.00  0.00  0.00  0.31  0.36  0.00  0.00  0.00  0.00  0.93  0.00  0.00 -   5 [ 0.20 ..  0.93]
  226-> TYR      9 HE*  - ILE    109 HG2* [ 1.80  3.97]  2.57  0.00  1.47  1.88  0.00  1.71  0.00  1.43  1.45  0.00  0.00  1.93  2.48  0.00  0.00  1.48  0.00  2.07  2.31  0.00 -  11 [ 1.43 ..  2.57]
  234-> ALA     10 HA   - LYS     13 HN   [ 1.80  4.94]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.08  0.00  0.00  0.00  0.00  0.00  0.15  0.00  0.00 -   2 [ 0.08 ..  0.15]
  235-> ALA     10 HA   - TYR     14 HD*  [ 1.80  3.95]  0.88  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  0.15  0.00  0.00  0.00  0.00 -   2 [ 0.15 ..  0.88]
  236-> ALA     10 HA   - TYR     14 HE*  [ 1.80  5.02]  0.37  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  0.51  0.00  0.00  0.00  0.00 -   2 [ 0.37 ..  0.51]
  239-> ALA     10 HB*  - GLN     11 HE21 [ 1.80  6.05]  1.68  0.00  0.00  0.00  0.00  1.65  1.59  0.00  0.00  0.00  1.62  1.43  1.66  0.00  0.00  0.00  1.61  1.34  1.83  1.68 -  10 [ 1.34 ..  1.83]
  240-> ALA     10 HB*  - GLN     11 HG*  [ 1.80  5.07]  0.04  0.00  0.00  0.00  0.00  0.03  0.00  0.00  0.00  0.00  0.01  0.00  0.06  0.00  0.00  0.00  0.01  0.00  0.16  0.06 -   7 [ 0.01 ..  0.16]
  244-> ALA     10 HB*  - LYS     13 HN   [ 1.80  5.12]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.42  0.00  0.00  0.01  0.00  0.00  0.43  0.00  0.00 -   3 [ 0.01 ..  0.43]
  245-> ALA     10 HB*  - TYR     14 HD*  [ 1.80  4.61]  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  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.33 ..  0.33]
  246-> ALA     10 HB*  - TYR     14 HE*  [ 1.80  5.08]  0.52  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  0.57  0.00  0.00  0.00  0.36 -   3 [ 0.36 ..  0.57]
  247-> ALA     10 HB*  - THR     16 HG2* [ 1.80  5.30]  0.06  0.00  0.00  0.00  0.00  0.00  0.11  0.00  0.00  0.00  0.00  0.00  0.27  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.06 ..  0.27]
  248-> ALA     10 HB*  - THR     16 HN   [ 1.80  4.86]  0.91  0.00  0.00  0.00  0.00  0.01  0.84  0.00  0.00  0.00  0.00  0.00  0.46  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   4 [ 0.01 ..  0.91]
  249-> ALA     10 HB*  - LYS     17 HA   [ 1.80  6.05]  0.10  0.00  0.00  0.00  0.00  0.00  0.04  0.00  0.00  0.00  0.00  0.00  0.13  0.00  0.31  0.00  0.00  0.53  0.00  0.00 -   5 [ 0.04 ..  0.53]
  253-> ALA     10 HB*  - ALA     41 HB*  [ 1.80  5.17]  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  0.23  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.23 ..  0.23]
  262-> GLN     11 HB*  - ASP     15 HN   [ 1.80  5.38]  0.17  0.00  0.00  0.00  0.00  0.00  0.25  0.00  0.00  0.00  0.00  0.24  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.17 ..  0.25]
  266-> GLN     11 HB3  - ASP     15 HA   [ 1.80  5.07]  0.56  0.00  0.00  0.00  0.00  0.54  1.28  0.00  0.00  0.00  0.38  1.15  0.28  0.00  0.00  0.00  0.52  0.80  0.65  0.00 -   9 [ 0.28 ..  1.28]
  269-> GLN     11 HB2  - ASP     15 HA   [ 1.80  5.07]  1.10  0.31  0.61  0.00  0.31  0.64  1.75  0.00  0.19  0.03  0.28  1.43  0.49  0.16  0.83  0.00  0.49  0.92  0.83  0.00 -  16 [ 0.03 ..  1.75]
  270-> GLN     11 HE21 - ASP     15 HA   [ 1.80  5.52]  0.00  1.70  0.71  1.35  1.56  0.00  0.37  0.79  1.58  1.21  0.00  1.46  0.00  1.54  2.44  0.45  0.10  1.09  1.00  0.00 -  15 [ 0.10 ..  2.44]
  272-> GLN     11 HG*  - ASP     15 HA   [ 1.80  4.88]  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  0.43  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.14 ..  0.43]
  287-> LYS     12 HN   - LYS     12 HB3  [ 1.80  3.56]  0.08  0.10  0.11  0.00  0.08  0.07  0.10  0.08  0.09  0.12  0.11  0.16  0.00  0.09  0.13  0.08  0.11  0.16  0.13  0.08 -  18 [ 0.07 ..  0.16]
  295-> LYS     13 HD*  - TYR     14 HE*  [ 1.80  5.59]  0.00  0.00  0.00  0.64  0.00  0.32  0.00  0.00  0.00  0.00  0.00  0.00  0.47  0.00  0.00  0.00  0.00  0.00  1.57  0.00 -   4 [ 0.32 ..  1.57]
  299-> LYS     13 HG3  - TYR     14 HE*  [ 1.80  5.65]  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  0.00  0.00  0.00  0.00  1.22  0.00 -   1 [ 1.22 ..  1.22]
  302-> LYS     13 HG2  - TYR     14 HE*  [ 1.80  5.65]  0.00  0.00  0.00  0.58  0.00  0.10  0.00  0.00  0.00  0.00  0.00  0.00  0.25  0.00  0.00  0.00  0.00  0.00  1.85  0.00 -   4 [ 0.10 ..  1.85]
  303-> LYS     13 HN   - LYS     13 HB3  [ 1.80  3.62]  0.00  0.00  0.00  0.12  0.00  0.09  0.00  0.00  0.12  0.00  0.00  0.00  0.05  0.00  0.00  0.00  0.00  0.00  0.04  0.00 -   5 [ 0.04 ..  0.12]
  310-> TYR     14 HE*  - ILE    109 HG2* [ 1.80  4.68]  0.35  0.00  0.00  0.00  0.00  0.00  0.00  0.19  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.88  0.00  0.00  0.00  0.55 -   4 [ 0.19 ..  0.88]
  318-> ASP     15 HN   - THR     16 HB   [ 1.80  6.01]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.30  0.00  0.00  0.00  0.00  0.00  0.00  0.36  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.30 ..  0.36]
  323-> THR     16 HB   - PHE     31 HB*  [ 1.80  5.57]  0.00  0.00  0.00  0.00  0.00  0.00  0.59  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 [ 0.59 ..  0.59]
  325-> THR     16 HG2* - LYS     17 HA   [ 1.80  4.48]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  1.14  0.00  0.00  0.00  0.00  0.00  0.00  1.05  0.00  0.00  0.00  0.00  0.00 -   2 [ 1.05 ..  1.14]
  326-> THR     16 HG2* - LYS     17 HN   [ 1.80  3.71]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.07  0.00  0.00  0.00  0.00  0.00  0.00  0.13  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.07 ..  0.13]
  327-> THR     16 HG2* - PRO     18 HA   [ 1.80  5.01]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  1.93  0.00  0.00  0.00  0.00  0.00  0.00  1.14  0.00  0.00  0.00  0.00  0.00 -   2 [ 1.14 ..  1.93]
  328-> THR     16 HG2* - PRO     18 HD*  [ 1.80  5.49]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  1.00  0.00  0.00  0.00  0.00  0.00  0.00  0.22  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.22 ..  1.00]
  329-> THR     16 HG2* - PHE     31 HA   [ 1.80  3.92]  0.00  0.00  0.00  0.00  0.00  0.00  0.66  0.75  0.00  0.00  0.00  0.00  0.00  0.00  0.90  0.23  0.00  0.00  0.00  0.00 -   4 [ 0.23 ..  0.90]
  330-> THR     16 HG2* - PHE     31 HB*  [ 1.80  3.87]  0.24  0.00  0.00  0.00  0.00  0.00  1.31  0.38  0.00  0.00  0.00  0.00  0.02  0.00  0.00  0.19  0.00  0.00  0.00  0.00 -   5 [ 0.02 ..  1.31]
  331-> THR     16 HG2* - PHE     31 HD*  [ 1.80  3.77]  0.00  0.00  0.00  0.00  0.00  0.00  0.12  0.50  0.00  0.00  0.00  0.00  0.00  0.00  0.25  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.12 ..  0.50]
  332-> THR     16 HG2* - PHE     31 HE*  [ 1.80  5.37]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.39  0.00  0.00  0.00  0.00  0.00  0.00  0.08  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.08 ..  0.39]
  346-> PRO     18 HA   - ALA     29 HB*  [ 1.80  4.75]  0.00  0.00  0.00  0.00  0.00  0.00  0.16  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 [ 0.16 ..  0.16]
  350-> PRO     18 HB*  - ASP     19 HB3  [ 1.80  6.05]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.10  0.00  0.00  0.00  0.00  0.00  0.00  0.18 -   2 [ 0.10 ..  0.18]
  353-> PRO     18 HB*  - PHE     31 HE*  [ 1.80  4.03]  0.00  0.00  0.00  0.00  0.00  0.00  0.51  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 [ 0.51 ..  0.51]
  354-> PRO     18 HB*  - PHE     31 HZ   [ 1.80  5.14]  0.00  0.00  0.00  0.00  0.00  0.00  1.24  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 [ 1.24 ..  1.24]
  356-> PRO     18 HB2  - VAL     30 HN   [ 1.80  5.92]  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  0.00  0.00  0.00  0.14  0.00  0.00 -   1 [ 0.14 ..  0.14]
  359-> ASP     19 HB*  - VAL     30 HB   [ 1.80  4.33]  0.00  0.00  0.61  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  0.00  0.00  0.00 -   1 [ 0.61 ..  0.61]
  360-> ASP     19 HB*  - VAL     30 HG2* [ 1.80  4.49]  0.00  0.00  1.44  0.00  0.00  0.00  0.23  0.00  0.36  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.23 ..  1.44]
  362-> ASP     19 HB2  - VAL     30 HG1* [ 1.80  5.71]  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  0.00  0.00  0.00 -   1 [ 0.85 ..  0.85]
  365-> ASP     19 HN   - VAL     30 HG2* [ 1.80  4.96]  0.00  0.00  0.13  0.04  0.00  0.05  0.17  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.04  0.03  0.00  0.09  0.00 -   7 [ 0.03 ..  0.17]
  373-> PRO     21 HB*  - VAL     30 HG2* [ 1.80  4.65]  0.00  1.96  0.03  0.00  0.00  0.00  0.00  0.00  1.79  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.03 ..  1.96]
  379-> PRO     21 HG*  - VAL     30 HG2* [ 1.80  3.53]  0.00  2.13  0.00  0.00  0.00  0.00  0.00  0.00  2.14  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 2.13 ..  2.14]
  386-> TRP     22 HB*  - PHE     25 HB*  [ 1.80  4.43]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.28  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.28 ..  0.28]
  390-> TRP     22 HD1  - GLU     23 HN   [ 1.80  4.97]  1.02  1.07  0.88  0.88  0.95  1.00  0.90  0.82  1.07  1.05  0.96  0.98  0.97  0.97  1.03  0.86  1.01  0.89  0.90  1.09 -  20 [ 0.82 ..  1.09]
  393-> TRP     22 HZ3  - LEU     42 HD1* [ 1.80  6.05]  2.73  7.42  8.61  4.03  0.96  1.67  1.65  4.71  6.64  1.77  0.78  0.00  0.19  0.86  0.17  1.00  1.97  0.16  1.24  4.93 -  19 [ 0.16 ..  8.61]
  397-> GLU     23 HB3  - LYS     24 HG*  [ 1.80  5.87]  0.31  0.00  0.00  0.00  0.27  0.29  0.36  0.00  0.80  0.00  0.00  0.33  0.31  0.00  0.26  0.35  0.29  0.38  0.36  0.00 -  12 [ 0.26 ..  0.80]
  399-> GLU     23 HB2  - LYS     24 HG*  [ 1.80  5.87]  0.05  0.00  0.00  0.00  0.06  0.08  0.00  0.00  0.54  0.00  0.00  0.07  0.09  0.00  0.05  0.00  0.07  0.01  0.00  0.00 -   9 [ 0.01 ..  0.54]
  401-> GLU     23 HG*  - LYS     24 HA   [ 1.80  5.29]  0.57  0.64  0.59  0.58  0.54  0.55  0.56  0.58  0.67  0.55  0.54  0.56  0.57  0.56  0.55  0.55  0.55  0.57  0.55  0.57 -  20 [ 0.54 ..  0.67]
  402-> GLU     23 HG*  - LYS     24 HB*  [ 1.80  5.31]  0.23  0.77  0.87  0.66  0.27  0.28  0.15  0.68  0.53  0.67  0.54  0.27  0.28  0.55  0.26  0.16  0.27  0.18  0.14  0.64 -  20 [ 0.14 ..  0.87]
  403-> GLU     23 HG*  - LYS     24 HG*  [ 1.80  4.40]  2.67  1.04  0.84  0.80  2.67  2.68  2.62  0.81  2.83  0.77  0.55  2.68  2.69  0.67  2.67  2.62  2.67  2.65  2.61  0.63 -  20 [ 0.55 ..  2.83]
  404-> GLU     23 HG*  - LYS     24 HN   [ 1.80  4.32]  0.00  0.00  0.12  0.00  0.00  0.00  0.00  0.00  0.10  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.10 ..  0.12]
  405-> GLU     23 HG3  - LYS     24 HD3  [ 1.80  6.05]  3.10  2.99  2.82  2.73  3.19  3.18  2.94  2.74  3.60  2.74  2.47  3.15  3.17  2.59  3.17  2.97  3.17  2.99  2.94  2.55 -  20 [ 2.47 ..  3.60]
  406-> GLU     23 HG3  - LYS     24 HD2  [ 1.80  6.05]  2.85  1.94  1.91  1.65  2.86  2.89  2.68  1.67  3.27  1.70  1.36  2.87  2.90  1.48  2.85  2.70  2.87  2.77  2.65  1.51 -  20 [ 1.36 ..  3.27]
  407-> GLU     23 HG3  - LYS     24 HG3  [ 1.80  6.05]  2.55  0.01  0.00  0.00  2.53  2.56  2.44  0.00  2.73  0.00  0.00  2.54  2.58  0.00  2.54  2.45  2.54  2.49  2.42  0.00 -  13 [ 0.01 ..  2.73]
  408-> GLU     23 HG3  - LYS     24 HG2  [ 1.80  6.05]  2.80  1.33  0.99  1.10  2.87  2.87  2.70  1.09  3.06  1.07  0.89  2.84  2.86  1.03  2.85  2.71  2.85  2.73  2.70  0.90 -  20 [ 0.89 ..  3.06]
  409-> GLU     23 HG2  - LYS     24 HD3  [ 1.80  6.05]  3.96  3.86  3.74  3.58  4.02  4.00  3.90  3.60  4.25  3.49  3.19  4.01  4.00  3.33  3.99  3.92  4.00  3.94  3.91  3.38 -  20 [ 3.19 ..  4.25]
  410-> GLU     23 HG2  - LYS     24 HD2  [ 1.80  6.05]  3.56  3.04  2.99  2.76  3.55  3.55  3.49  2.79  4.09  2.72  2.35  3.61  3.57  2.48  3.52  3.50  3.56  3.57  3.47  2.60 -  20 [ 2.35 ..  4.09]
  411-> GLU     23 HG2  - LYS     24 HG3  [ 1.80  6.05]  2.88  0.93  0.77  0.59  2.83  2.85  2.88  0.62  3.19  0.50  0.16  2.88  2.87  0.31  2.82  2.87  2.85  2.91  2.87  0.37 -  20 [ 0.16 ..  3.19]
  412-> GLU     23 HG2  - LYS     24 HG2  [ 1.80  6.05]  3.31  1.97  1.75  1.65  3.32  3.33  3.32  1.66  3.35  1.49  1.25  3.32  3.33  1.40  3.32  3.32  3.32  3.32  3.32  1.40 -  20 [ 1.25 ..  3.35]
  417-> GLU     23 HN   - LYS     24 HG*  [ 1.80  5.71]  0.50  0.00  0.00  0.00  0.59  0.58  0.15  0.00  0.26  0.00  0.00  0.54  0.58  0.00  0.58  0.19  0.56  0.20  0.19  0.00 -  12 [ 0.15 ..  0.59]
  424-> LYS     24 HE*  - PHE     25 HE*  [ 1.80  4.88]  0.00  1.07  0.75  0.98  0.00  0.00  0.00  0.99  0.00  0.81  0.81  0.00  0.00  0.74  0.00  0.00  0.00  0.00  0.00  1.01 -   8 [ 0.74 ..  1.07]
  425-> LYS     24 HE3  - PHE     25 HE*  [ 1.80  5.58]  0.00  0.99  0.46  0.85  0.00  0.00  0.00  0.86  0.00  0.74  0.61  0.00  0.00  0.54  0.00  0.00  0.00  0.00  0.00  0.81 -   8 [ 0.46 ..  0.99]
  426-> LYS     24 HE2  - PHE     25 HE*  [ 1.80  5.58]  0.00  1.21  1.15  1.17  0.00  0.00  0.00  1.19  0.00  0.89  1.06  0.00  0.00  0.96  0.00  0.00  0.00  0.00  0.00  1.31 -   8 [ 0.89 ..  1.31]
  430-> LYS     24 HN   - LYS     24 HG*  [ 1.80  3.90]  0.13  0.00  0.00  0.00  0.14  0.15  0.15  0.00  0.13  0.00  0.00  0.14  0.14  0.00  0.14  0.14  0.14  0.14  0.14  0.00 -  12 [ 0.13 ..  0.15]
  447-> ASP     27 HA   - TYR     28 HD*  [ 1.80  6.05]  0.00  0.62  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  0.00  0.00  0.00  0.00 -   1 [ 0.62 ..  0.62]
  450-> ASP     27 HN   - TYR     28 HD*  [ 1.80  5.24]  0.00  1.12  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  0.00  0.00  0.00  0.00 -   1 [ 1.12 ..  1.12]
  455-> TYR     28 HA   - LEU     43 HD2* [ 1.80  5.94]  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  0.00  0.00  0.00  0.00  0.00  0.31 -   1 [ 0.31 ..  0.31]
  459-> TYR     28 HB*  - LEU     43 HD2* [ 1.80  6.05]  0.00  0.32  0.52  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.67  0.00  0.00  0.77  0.20  0.00  0.00  0.08  0.00  1.10 -   7 [ 0.08 ..  1.10]
  462-> TYR     28 HD*  - ASP     45 HN   [ 1.80  4.49]  0.00  0.50  0.17  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  0.00  0.00  0.31 -   3 [ 0.17 ..  0.50]
  463-> TYR     28 HE*  - ASP     45 HN   [ 1.80  4.31]  0.00  2.69  0.23  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  0.00  0.00  0.86 -   3 [ 0.23 ..  2.69]
  470-> ALA     29 HB*  - PHE     31 HE*  [ 1.80  3.77]  0.00  0.00  0.00  0.00  0.00  0.00  3.66  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 [ 3.66 ..  3.66]
  471-> ALA     29 HB*  - PHE     31 HZ   [ 1.80  3.77]  0.30  0.00  0.00  0.00  0.00  0.00  5.61  0.00  0.00  0.00  0.00  0.05  0.00  0.00  0.00  0.48  0.17  0.00  0.00  0.00 -   5 [ 0.05 ..  5.61]
  474-> ALA     29 HB*  - LEU     43 HB2  [ 1.80  3.86]  0.00  0.00  0.00  0.00  0.00  0.00  0.42  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 [ 0.42 ..  0.42]
  486-> VAL     30 HA   - LEU     42 HD2* [ 1.80  4.60]  0.00  0.00  0.00  0.68  0.00  0.00  0.83  0.11  0.51  0.00  0.41  0.00  0.67  1.02  0.00  0.00  0.00  0.41  0.00  0.00 -   8 [ 0.11 ..  1.02]
  499-> VAL     30 HG1* - LEU     42 HD2* [ 1.80  4.08]  0.00  0.00  0.00  0.84  0.00  0.00  0.17  0.80  0.54  0.00  0.69  0.00  0.87  1.14  0.00  0.00  0.00  0.74  0.00  0.56 -   9 [ 0.17 ..  1.14]
  511-> PHE     31 HB*  - ALA     41 HN   [ 1.80  5.33]  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  0.21  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.21 ..  0.21]
  515-> PHE     31 HD*  - ALA     41 HN   [ 1.80  5.94]  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  0.02  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.02 ..  0.13]
  516-> PHE     31 HE*  - LEU     43 HB3  [ 1.80  4.75]  0.00  0.00  0.00  0.00  0.00  0.00  4.12  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 [ 4.12 ..  4.12]
  517-> PHE     31 HE*  - LEU     43 HB2  [ 1.80  4.75]  0.00  0.00  0.00  0.00  0.00  0.00  4.26  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 [ 4.26 ..  4.26]
  518-> PHE     31 HE*  - LEU     43 HD1* [ 1.80  4.74]  0.00  0.00  0.00  0.21  0.00  0.00  4.25  0.91  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.04  0.00  0.00  0.00  0.00 -   5 [ 0.00 ..  4.25]
  519-> PHE     31 HE*  - LEU     43 HN   [ 1.80  5.57]  0.00  0.00  0.00  0.00  0.00  0.00  4.20  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 [ 4.20 ..  4.20]
  524-> PHE     31 HZ   - LEU     43 HB*  [ 1.80  4.63]  0.40  0.00  0.00  0.19  0.00  0.33  5.19  1.16  0.00  0.00  0.00  0.24  0.00  0.00  0.00  0.41  0.32  0.00  0.00  0.00 -   9 [ 0.00 ..  5.19]
  525-> PHE     31 HZ   - LEU     43 HD1* [ 1.80  4.88]  1.17  0.45  0.00  1.53  0.14  0.44  5.98  2.52  0.34  0.04  0.60  1.19  1.28  0.47  0.85  1.41  1.36  0.41  1.19  0.96 -  19 [ 0.04 ..  5.98]
  526-> ARG     32 HA   - TYR     40 HN   [ 1.80  5.69]  0.00  0.00  1.67  0.00  0.00  0.25  0.00  0.00  0.00  0.00  0.55  0.00  0.00  0.82  0.02  0.30  0.00  0.00  0.00  0.00 -   6 [ 0.02 ..  1.67]
  528-> ARG     32 HB*  - ARG     32 HE   [ 1.80  4.33]  0.00  0.16  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  0.00  0.00  0.00  0.00 -   1 [ 0.16 ..  0.16]
  530-> ARG     32 HB*  - TRP     39 HD1  [ 1.80  4.31]  3.26  2.16  1.71  1.79  0.00  2.69  0.00  0.00  3.42  0.81  0.00  3.09  0.04  0.00  0.00  0.00  4.01  0.00  0.00  3.99 -  11 [ 0.04 ..  4.01]
  533-> ARG     32 HN   - ALA     41 HB*  [ 1.80  5.50]  0.04  0.00  0.00  0.00  0.00  0.25  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  0.07 -   5 [ 0.00 ..  0.25]
  537-> HIS     33 HB*  - ASP     35 HN   [ 1.80  3.89]  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  0.07  0.00  0.00  0.00  0.00  0.26 -   2 [ 0.07 ..  0.26]
  539-> HIS     33 HB*  - LYS     38 HN   [ 1.80  5.87]  0.00  0.00  0.70  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.89  0.00  1.84  0.94  0.00  0.00  0.00  0.00 -   4 [ 0.70 ..  1.84]
  541-> SER     34 HA   - ASP     37 HN   [ 1.80  5.10]  0.00  0.72  0.00  0.00  0.00  2.14  0.00  1.12  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.72 ..  2.14]
  548-> ASP     35 HB*  - LEU    118 HD1* [ 1.80  4.04]  5.82  2.21  2.47  2.77  2.55  1.21  2.57  0.37  2.33  0.39  2.41  0.00  0.00  0.34  1.65  0.00  2.77  0.00  0.00  0.04 -  15 [ 0.04 ..  5.82]
  549-> ASP     35 HB*  - LEU    118 HD2* [ 1.80  5.31]  6.83  0.00  0.00  0.03  0.00  0.92  0.22  1.29  0.00  0.11  0.00  0.00  0.00  0.65  0.00  0.00  0.69  0.00  0.00  0.00 -   8 [ 0.03 ..  6.83]
  553-> ASN     36 HA   - LEU    118 HD2* [ 1.80  4.77]  5.41  0.00  0.00  3.22  0.00  2.10  0.00  0.00  0.00  2.29  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  1.05 -   5 [ 1.05 ..  5.41]
  555-> ASN     36 HB*  - LEU    118 HA   [ 1.80  5.74]  0.51  0.00  0.00  1.80  0.00  0.00  0.00  0.00  0.00  0.00  0.62  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.09 -   4 [ 0.09 ..  1.80]
  556-> ASN     36 HB*  - LEU    118 HB*  [ 1.80  5.70]  1.70  0.00  0.00  2.86  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  0.00  0.00 -   3 [ 0.13 ..  2.86]
  557-> ASN     36 HB*  - LEU    118 HD1* [ 1.80  4.37]  1.42  0.48  0.00  3.82  0.00  0.00  1.09  0.00  0.00  0.00  1.51  0.00  0.00  0.37  0.86  0.05  0.00  0.46  0.36  0.66 -  11 [ 0.05 ..  3.82]
  558-> ASN     36 HB*  - LEU    118 HD2* [ 1.80  4.04]  4.05  0.00  0.06  1.94  0.00  0.21  0.00  0.00  0.00  0.46  1.37  0.00  0.00  0.49  0.54  0.00  0.00  0.00  0.00  0.00 -   8 [ 0.06 ..  4.05]
  559-> ASN     36 HB*  - LEU    118 HG   [ 1.80  4.86]  3.58  0.07  0.46  3.45  0.39  0.74  0.24  0.00  0.42  0.00  2.69  0.00  0.00  0.00  1.68  0.00  0.71  0.35  0.00  1.54 -  13 [ 0.07 ..  3.58]
  560-> ASN     36 HD2* - ARG    117 HA   [ 1.80  5.86]  1.76  0.00  0.00  1.15  0.00  0.23  0.00  0.00  0.00  3.23  0.02  0.00  1.25  0.00  0.00  0.00  0.00  0.00  0.22  2.27 -   8 [ 0.02 ..  3.23]
  561-> ASN     36 HD2* - LEU    118 HA   [ 1.80  4.19]  3.95  0.02  2.06  1.53  2.07  0.00  0.52  2.86  1.79  0.93  4.13  0.32  0.95  3.26  1.71  0.00  3.38  0.00  1.11  0.40 -  17 [ 0.02 ..  4.13]
  562-> ASN     36 HD2* - LEU    118 HB*  [ 1.80  4.92]  4.04  0.00  0.00  1.70  0.00  0.00  0.16  1.32  0.00  0.00  1.20  0.03  0.20  2.13  0.00  0.35  0.46  0.00  1.78  0.00 -  11 [ 0.03 ..  4.04]
  563-> ASN     36 HD2* - LEU    118 HD1* [ 1.80  4.97]  2.67  0.00  1.31  1.04  1.29  0.00  0.00  0.59  0.84  0.00  2.72  0.00  0.00  1.53  1.18  0.89  0.63  0.00  1.93  0.00 -  12 [ 0.59 ..  2.72]
  564-> ASN     36 HD2* - LEU    118 HD2* [ 1.80  4.59]  5.19  0.00  1.04  0.00  0.66  0.00  0.00  1.04  0.53  0.00  2.08  0.00  1.20  1.80  1.42  0.00  1.49  0.00  0.02  0.00 -  11 [ 0.02 ..  5.19]
  565-> ASN     36 HD2* - LEU    118 HG   [ 1.80  4.77]  5.91  0.69  2.48  1.24  2.01  0.38  0.00  0.43  2.09  0.00  4.27  0.00  2.26  1.37  2.72  0.18  3.41  0.00  1.70  0.27 -  16 [ 0.18 ..  5.91]
  566-> ASN     36 HD2* - LEU    118 HN   [ 1.80  5.56]  4.16  0.00  0.00  0.14  0.00  0.00  0.00  0.00  0.00  1.75  0.86  0.00  0.81  0.14  0.00  0.00  0.00  0.00  0.82  0.94 -   8 [ 0.14 ..  4.16]
  567-> ASN     36 HD2* - GLU    119 HN   [ 1.80  5.46]  2.52  0.48  2.43  2.43  2.20  0.00  1.48  3.49  2.22  0.00  4.64  0.98  0.80  2.31  2.20  0.00  2.79  0.00  0.66  0.00 -  15 [ 0.48 ..  4.64]
  568-> ASN     36 HD21 - LEU    118 HA   [ 1.80  5.04]  3.69  0.25  1.98  1.36  2.18  0.00  0.24  2.86  1.79  0.30  4.32  0.00  0.59  2.88  1.94  0.00  3.51  0.00  0.72  0.00 -  15 [ 0.24 ..  4.32]
  569-> ASN     36 HD21 - LEU    118 HG   [ 1.80  5.62]  5.97  0.59  2.65  1.21  2.23  0.00  0.00  0.15  2.36  0.00  4.48  0.00  2.20  0.97  3.00  0.00  3.47  0.00  1.38  0.00 -  13 [ 0.15 ..  5.97]
  570-> ASN     36 HD22 - LEU    118 HA   [ 1.80  5.04]  4.68  0.00  1.97  1.40  1.82  0.00  0.24  2.88  1.56  1.54  4.27  0.16  0.89  4.05  1.33  0.36  3.39  0.00  1.16  0.36 -  17 [ 0.16 ..  4.68]
  571-> ASN     36 HD22 - LEU    118 HG   [ 1.80  5.62]  6.89  0.44  2.40  1.04  1.79  0.85  0.00  0.29  1.86  0.00  4.57  0.00  2.35  1.69  2.61  1.02  3.65  0.00  2.00  0.56 -  16 [ 0.29 ..  6.89]
  573-> ASP     37 HN   - LYS     38 HN   [ 1.80  4.44]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.20  0.00  0.04  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.04 ..  0.20]
  577-> LYS     38 HN   - LYS     38 HD*  [ 1.80  4.62]  0.27  0.00  0.00  0.00  0.00  0.00  0.40  0.00  0.00  0.00  0.08  0.00  0.14  0.16  0.00  0.00  0.00  0.00  0.21  0.00 -   6 [ 0.08 ..  0.40]
  581-> TYR     40 HB*  - TRP     91 HD1  [ 1.80  4.65]  2.68  2.91  0.00  0.00  0.00  0.00  0.03  0.00  2.85  2.34  0.00  0.45  0.00  0.00  0.00  0.00  2.19  0.25  0.00  0.80 -  10 [ 0.00 ..  2.91]
  589-> LEU     42 HA   - MET     44 HE*  [ 1.80  5.90]  1.25  0.00  0.00  1.28  0.00  1.58  0.00  0.89  0.00  0.00  0.00  0.00  0.81  0.18  0.00  0.00  1.82  0.45  0.00  0.52 -   9 [ 0.18 ..  1.82]
  596-> LEU     42 HD1* - MET     44 HB*  [ 1.80  4.21]  2.45  1.04  0.82  0.00  0.70  0.00  2.01  0.00  0.38  0.78  0.00  0.41  0.00  0.00  1.34  0.65  0.68  0.00  0.64  0.00 -  12 [ 0.38 ..  2.45]
  597-> LEU     42 HD1* - MET     44 HE*  [ 1.80  3.43]  2.75  0.00  0.00  0.91  0.00  0.00  0.88  0.51  0.38  0.00  0.00  0.00  1.84  1.22  0.00  0.00  1.89  1.45  0.00  1.34 -  10 [ 0.38 ..  2.75]
  598-> LEU     42 HD1* - MET     44 HG3  [ 1.80  5.00]  0.42  1.49  1.50  0.15  0.53  0.00  3.06  0.86  0.00  1.45  1.26  1.11  0.45  0.27  1.75  1.28  1.37  0.28  0.80  0.19 -  18 [ 0.15 ..  3.06]
  599-> LEU     42 HD1* - MET     44 HG2  [ 1.80  5.00]  1.23  0.61  0.39  0.00  1.49  0.00  1.72  0.00  0.00  0.43  0.21  0.01  0.00  0.00  0.58  0.16  0.16  0.00  0.00  0.00 -  11 [ 0.01 ..  1.72]
  600-> LEU     42 HD2* - MET     44 HE*  [ 1.80  4.84]  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  0.00  0.00  1.67  0.00  0.00  0.00 -   1 [ 1.67 ..  1.67]
  601-> LEU     42 HD2* - MET     44 HG2  [ 1.80  6.05]  0.00  0.43  0.16  0.00  1.51  0.00  0.00  0.00  0.00  0.16  0.00  0.00  0.00  0.00  0.23  0.05  0.18  0.00  0.00  0.00 -   7 [ 0.05 ..  1.51]
  602-> LEU     42 HG   - MET     44 HE*  [ 1.80  3.45]  3.04  0.69  1.13  1.18  0.53  1.72  0.17  1.69  0.00  0.91  0.00  0.75  0.98  0.23  1.42  0.97  4.47  0.52  0.98  0.56 -  18 [ 0.17 ..  4.47]
  606-> LEU     43 HA   - LEU     43 HD2* [ 1.80  3.64]  0.24  0.26  0.28  0.27  0.25  0.00  0.31  0.27  0.26  0.26  0.28  0.25  0.26  0.28  0.29  0.27  0.27  0.24  0.30  0.25 -  19 [ 0.24 ..  0.31]
  619-> LEU     43 HD2* - MET     44 HG*  [ 1.80  6.05]  0.00  0.00  0.00  0.06  0.51  0.00  0.00  0.01  0.00  0.00  0.00  0.06  0.12  0.00  0.00  0.00  0.03  0.10  0.00  0.13 -   8 [ 0.01 ..  0.51]
  620-> LEU     43 HD2* - MET     44 HN   [ 1.80  4.04]  0.52  0.36  0.39  0.54  0.54  0.00  0.40  0.41  0.48  0.45  0.38  0.55  0.63  0.41  0.32  0.48  0.47  0.61  0.45  0.73 -  19 [ 0.32 ..  0.73]
  622-> LEU     43 HD2* - ASP     60 HB2  [ 1.80  6.05]  0.52  0.59  0.41  0.22  0.20  0.00  0.14  0.35  0.00  0.57  0.00  0.29  0.00  0.54  0.53  0.43  0.28  0.04  0.27  0.00 -  15 [ 0.04 ..  0.59]
  623-> LEU     43 HD2* - VAL     61 HG2* [ 1.80  5.17]  1.00  1.12  0.98  1.02  1.21  0.00  1.10  1.01  0.89  1.17  0.92  1.11  1.28  1.12  1.02  1.06  1.08  1.19  0.91  1.00 -  19 [ 0.89 ..  1.28]
  624-> LEU     43 HD2* - VAL     61 HN   [ 1.80  4.69]  1.08  1.26  1.10  1.07  1.40  0.00  1.18  1.09  0.88  1.35  0.77  1.24  1.27  1.24  1.18  1.21  1.22  1.28  1.04  1.02 -  19 [ 0.77 ..  1.40]
  625-> LEU     43 HD2* - ILE     62 HD1* [ 1.80  6.05]  0.02  0.00  0.00  0.00  0.00  0.12  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 -   2 [ 0.02 ..  0.12]
  633-> MET     44 HE*  - ILE     46 HB   [ 1.80  5.33]  0.00  1.16  1.07  0.00  1.11  0.00  1.05  0.00  0.24  1.88  0.61  0.90  0.00  0.00  0.96  0.94  0.00  0.00  0.90  0.00 -  11 [ 0.24 ..  1.88]
  634-> MET     44 HE*  - ILE     46 HD1* [ 1.80  5.24]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.49  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.49 ..  0.49]
  635-> MET     44 HE*  - ILE     46 HG2* [ 1.80  4.93]  0.00  1.22  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  0.00  0.00  0.00  0.00 -   1 [ 1.22 ..  1.22]
  636-> MET     44 HE*  - VAL     61 HG1* [ 1.80  5.58]  0.43  0.36  0.29  0.22  0.29  0.00  0.29  0.38  0.00  0.52  0.00  0.32  0.00  0.00  0.33  0.29  0.00  0.00  0.82  0.00 -  12 [ 0.22 ..  0.82]
  637-> MET     44 HE*  - VAL     61 HG2* [ 1.80  3.13]  0.96  0.58  0.52  0.94  0.56  0.00  0.50  1.01  0.00  0.76  0.11  0.56  0.00  0.00  0.55  0.53  0.35  0.00  1.15  0.00 -  14 [ 0.11 ..  1.15]
  638-> MET     44 HE*  - ILE     62 HA   [ 1.80  5.12]  1.47  0.00  0.00  2.07  0.00  0.00  0.00  1.75  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  1.27  0.00  0.58  0.02 -   6 [ 0.02 ..  2.07]
  639-> MET     44 HE*  - TYR     84 HE*  [ 1.80  5.26]  0.00  0.31  0.00  2.65  0.00  0.00  3.75  0.00  0.00  2.11  0.00  1.69  0.00  0.00  0.00  0.00  1.15  0.00  0.00  0.00 -   6 [ 0.31 ..  3.75]
  642-> MET     44 HN   - MET     44 HE*  [ 1.80  4.92]  0.37  0.00  0.00  0.19  0.00  0.00  0.00  0.14  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.19  0.00  0.00  0.00 -   4 [ 0.14 ..  0.37]
  654-> ASP     45 HB*  - ARG     58 HB*  [ 1.80  4.33]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.27  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.27 ..  0.27]
  655-> ASP     45 HN   - ILE     46 HG2* [ 1.80  5.32]  0.00  0.25  0.00  0.73  0.00  0.10  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 -   3 [ 0.10 ..  0.73]
  662-> ILE     46 HB   - PRO     47 HD3  [ 1.80  4.21]  0.00  0.59  0.00  0.62  0.00  0.20  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 -   3 [ 0.20 ..  0.62]
  663-> ILE     46 HB   - PRO     47 HD2  [ 1.80  4.21]  0.00  0.10  0.00  0.11  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  0.00  0.00 -   2 [ 0.10 ..  0.11]
  666-> ILE     46 HD1* - PRO     47 HG*  [ 1.80  5.56]  0.00  0.43  0.00  0.37  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  0.00  0.00 -   2 [ 0.37 ..  0.43]
  668-> ILE     46 HD1* - LYS     50 HN   [ 1.80  5.70]  0.00  0.48  0.00  0.54  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  0.00  0.00 -   2 [ 0.48 ..  0.54]
  671-> ILE     46 HD1* - VAL     59 HG2* [ 1.80  4.06]  0.53  1.05  0.46  1.17  0.22  0.67  0.16  0.00  0.20  0.00  0.21  0.06  0.00  0.00  0.24  0.30  0.00  0.00  0.55  0.00 -  13 [ 0.06 ..  1.17]
  673-> ILE     46 HD1* - VAL     61 HG1* [ 1.80  3.49]  0.00  0.24  0.00  0.04  0.00  0.20  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 -   3 [ 0.04 ..  0.24]
  675-> ILE     46 HD1* - TYR     84 HB*  [ 1.80  5.26]  0.00  1.39  0.00  1.33  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.64  0.00  0.39  0.00  0.00  0.00  0.00 -   4 [ 0.39 ..  1.39]
  676-> ILE     46 HD1* - TYR     84 HD*  [ 1.80  4.82]  0.00  0.39  0.00  0.45  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  0.00  0.00 -   2 [ 0.39 ..  0.45]
  677-> ILE     46 HD1* - TYR     84 HE*  [ 1.80  5.25]  0.00  0.00  0.00  0.00  0.00  0.00  0.22  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 [ 0.22 ..  0.22]
  678-> ILE     46 HG1* - ALA     48 HN   [ 1.80  5.83]  0.00  1.41  0.00  1.25  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  0.00  0.00 -   2 [ 1.25 ..  1.41]
  679-> ILE     46 HG1* - VAL     59 HN   [ 1.80  4.94]  0.00  0.35  0.00  0.40  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  0.00  0.00 -   2 [ 0.35 ..  0.40]
  680-> ILE     46 HG1* - VAL     61 HA   [ 1.80  5.87]  0.00  0.51  0.00  0.28  0.00  1.84  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 -   3 [ 0.28 ..  1.84]
  681-> ILE     46 HG1* - VAL     61 HB   [ 1.80  4.43]  0.00  0.84  0.00  0.54  0.00  2.12  0.00  0.00  0.00  0.00  0.23  0.05  0.00  0.00  0.01  0.00  0.00  0.00  0.00  0.20 -   7 [ 0.01 ..  2.12]
  682-> ILE     46 HG1* - VAL     61 HG1* [ 1.80  4.04]  0.00  0.15  0.00  0.00  0.00  0.42  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 -   2 [ 0.15 ..  0.42]
  686-> ILE     46 HG2* - TYR     84 HD*  [ 1.80  5.14]  0.00  0.83  0.00  0.65  0.00  0.00  1.78  0.00  0.00  0.00  0.00  0.13  0.00  0.00  0.00  1.13  0.00  0.00  0.00  0.15 -   6 [ 0.13 ..  1.78]
  687-> ILE     46 HG2* - TYR     84 HE*  [ 1.80  4.02]  0.00  0.17  0.00  0.70  0.00  0.00  4.15  0.00  0.00  0.75  0.00  1.97  0.49  0.00  0.00  0.45  0.53  0.55  0.35  2.47 -  11 [ 0.17 ..  4.15]
  692-> ILE     46 HN   - ARG     58 HG*  [ 1.80  5.87]  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  0.00  0.00  0.00  0.27  0.00  0.14 -   2 [ 0.14 ..  0.27]
  706-> PRO     47 HB3  - GLU     49 HG*  [ 1.80  4.87]  0.71  0.00  0.57  0.85  0.00  0.00  0.64  0.00  0.61  0.00  0.56  0.00  0.00  0.00  0.00  0.67  0.54  0.00  0.56  1.60 -  10 [ 0.54 ..  1.60]
  709-> PRO     47 HB2  - GLU     49 HG*  [ 1.80  4.87]  0.00  0.00  0.00  0.35  0.00  0.00  0.15  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.16 -   4 [ 0.00 ..  0.35]
  719-> ALA     48 HA   - ILE     53 HD1* [ 1.80  4.89]  0.83  0.00  0.00  0.53  0.00  0.00  0.00  0.00  0.00  1.31  0.00  0.00  0.00  0.00  0.00  0.00  1.15  0.00  0.00  0.83 -   5 [ 0.53 ..  1.31]
  720-> ALA     48 HA   - ILE     53 HG2* [ 1.80  5.09]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.14  0.00  0.00  0.14  0.00  0.00  0.00  0.01  0.00  0.00  0.00 -   3 [ 0.01 ..  0.14]
  729-> ALA     48 HB*  - ILE     53 HD1* [ 1.80  4.11]  0.39  0.00  0.00  0.17  0.00  0.00  0.00  0.00  0.00  0.64  0.00  0.00  0.00  0.00  0.00  0.00  0.81  0.00  0.00  0.29 -   5 [ 0.17 ..  0.81]
  732-> ALA     48 HB*  - ILE     53 HG2* [ 1.80  3.13]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.11  0.00  0.00  0.20  0.00  0.00  0.00  0.21  0.00  0.00  0.00 -   3 [ 0.11 ..  0.21]
  735-> ALA     48 HB*  - ASN     54 HB*  [ 1.80  5.87]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.21  0.26  0.00  0.00  0.00  0.00  0.00  0.16  0.00  0.00 -   3 [ 0.16 ..  0.26]
  738-> ALA     48 HB*  - ASP     56 HA   [ 1.80  4.62]  0.00  0.00  0.00  0.00  0.00  0.00  0.39  0.00  0.00  0.46  0.00  0.00  1.10  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.39 ..  1.10]
  739-> ALA     48 HB*  - ASP     56 HB*  [ 1.80  5.51]  0.00  0.00  0.00  0.00  0.04  0.00  0.48  0.00  0.00  0.00  0.00  0.00  0.19  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.04 ..  0.48]
  742-> ALA     48 HB*  - LYS     57 HD3  [ 1.80  6.05]  0.00  0.30  0.49  0.60  0.41  0.33  0.36  0.56  0.43  0.00  0.39  0.60  0.00  0.37  0.00  0.00  0.00  0.00  0.59  0.00 -  12 [ 0.30 ..  0.60]
  743-> ALA     48 HB*  - LYS     57 HD2  [ 1.80  6.05]  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  0.15  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.15 ..  0.15]
  744-> ALA     48 HB*  - LYS     57 HG*  [ 1.80  4.35]  0.00  0.58  0.72  0.62  0.65  0.59  0.83  0.56  0.64  0.00  0.60  0.75  0.00  0.54  0.25  0.02  0.00  0.02  0.79  0.00 -  15 [ 0.02 ..  0.83]
  753-> ALA     48 HN   - LYS     57 HG*  [ 1.80  5.64]  0.00  0.00  0.01  0.03  0.12  0.34  0.41  0.24  0.00  0.00  0.06  0.29  0.00  0.18  0.00  0.00  0.00  0.16  0.03  0.00 -  11 [ 0.01 ..  0.41]
  760-> GLU     49 HA   - ILE     53 HG2* [ 1.80  5.83]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.66  0.00  0.00  0.50  0.00  0.00  0.00  0.54  0.00  0.00  0.00 -   3 [ 0.50 ..  0.66]
  762-> GLU     49 HA   - ASP     56 HA   [ 1.80  4.88]  0.78  0.40  0.00  0.00  0.51  0.56  1.07  0.23  0.00  2.17  0.15  0.27  2.47  1.26  0.00  0.00  0.00  0.00  0.00  0.53 -  12 [ 0.15 ..  2.47]
  768-> GLU     49 HN   - GLU     49 HG*  [ 1.80  3.50]  0.52  0.00  0.51  0.51  0.00  0.00  0.51  0.00  0.51  0.00  0.51  0.00  0.00  0.00  0.00  0.52  0.52  0.00  0.52  0.51 -  10 [ 0.51 ..  0.52]
  774-> LYS     50 HB*  - TYR     84 HB*  [ 1.80  4.50]  0.00  2.67  0.00  2.33  0.00  1.04  0.10  0.00  0.00  0.66  0.00  1.33  1.08  2.21  0.52  0.49  0.00  1.16  0.00  0.00 -  11 [ 0.10 ..  2.67]
  775-> LYS     50 HB*  - TYR     84 HD*  [ 1.80  4.37]  0.00  1.22  0.00  1.19  0.00  0.27  0.90  0.00  0.00  0.00  0.00  0.53  0.19  0.82  0.00  0.00  0.00  0.29  0.00  0.19 -   9 [ 0.19 ..  1.22]
  792-> ILE     51 HB   - TYR     81 HA   [ 1.80  6.05]  0.00  0.71  0.00  0.29  0.00  0.00  0.00  0.00  0.00  1.12  0.00  0.00  0.00  0.00  0.00  0.00  0.28  0.00  0.00  0.01 -   5 [ 0.01 ..  1.12]
  795-> ILE     51 HD1* - ILE     53 HD1* [ 1.80  3.34]  0.18  0.00  0.00  0.10  0.00  0.00  0.00  0.00  0.00  0.14  0.00  0.00  0.00  0.00  0.00  0.00  0.16  0.00  0.00  0.21 -   5 [ 0.10 ..  0.21]
  801-> ILE     51 HD1* - VAL     61 HB   [ 1.80  6.05]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.58  0.00  0.00  0.00  0.00  0.00  0.00  0.39  0.00  0.00  0.01 -   3 [ 0.01 ..  0.58]
  802-> ILE     51 HD1* - VAL     61 HG1* [ 1.80  3.81]  0.00  0.00  0.00  0.00  0.00  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 -   2 [ 0.00 ..  0.14]
  803-> ILE     51 HD1* - TYR     81 HB*  [ 1.80  4.74]  0.00  0.05  0.00  0.00  0.00  0.00  0.00  0.00  0.00  1.49  0.00  0.00  0.17  0.00  0.00  0.00  0.67  0.00  0.00  0.31 -   5 [ 0.05 ..  1.49]
  804-> ILE     51 HD1* - TYR     81 HD*  [ 1.80  4.82]  0.52  0.00  0.00  0.85  0.00  0.00  0.00  0.00  0.00  0.37  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.37 ..  0.85]
  805-> ILE     51 HD1* - TYR     81 HE*  [ 1.80  4.76]  2.10  0.00  0.00  2.39  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  0.00  0.00 -   2 [ 2.10 ..  2.39]
  809-> ILE     51 HG1* - TYR     81 HB*  [ 1.80  4.96]  0.00  0.01  0.00  0.00  0.00  0.25  0.00  0.00  0.00  1.36  0.00  0.00  0.43  0.00  0.00  0.00  0.82  0.06  0.00  0.40 -   7 [ 0.01 ..  1.36]
  811-> ILE     51 HG1* - TYR     81 HE*  [ 1.80  6.05]  0.16  0.00  0.00  0.65  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  0.00  0.00 -   2 [ 0.16 ..  0.65]
  820-> ILE     51 HG2* - ILE     53 HB   [ 1.80  5.42]  0.00  0.00  0.26  0.00  0.13  0.09  0.22  0.52  0.29  0.00  0.32  0.34  0.00  0.00  0.27  0.21  0.00  0.30  0.18  0.00 -  12 [ 0.09 ..  0.52]
  822-> ILE     51 HG2* - TYR     81 HA   [ 1.80  6.05]  0.00  1.41  0.11  1.09  0.00  0.00  0.53  0.00  0.00  0.00  0.17  0.00  0.00  0.00  0.00  0.33  0.00  0.00  0.75  0.31 -   8 [ 0.11 ..  1.41]
  825-> ILE     51 HG2* - PRO     82 HD*  [ 1.80  5.65]  0.52  1.48  0.00  1.70  0.00  0.00  0.19  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.55  0.00  0.00  0.62  0.36 -   7 [ 0.19 ..  1.70]
  826-> ILE     51 HG2* - TYR     84 HD*  [ 1.80  4.98]  0.00  0.65  0.00  0.05  0.00  0.00  0.00  0.00  0.00  0.79  0.00  0.00  0.00  1.21  0.00  0.00  0.00  0.06  0.00  0.00 -   5 [ 0.05 ..  1.21]
  848-> ILE     53 HD1* - ASN     54 HN   [ 1.80  5.01]  0.00  0.00  0.00  0.00  0.12  0.14  0.14  0.09  0.00  0.00  0.00  0.00  0.19  0.18  0.00  0.00  0.00  0.00  0.00  0.00 -   6 [ 0.09 ..  0.19]
  849-> ILE     53 HD1* - GLY     55 HN   [ 1.80  6.05]  0.00  0.70  0.00  0.00  0.24  0.60  0.68  0.75  0.00  0.11  0.00  0.00  0.36  0.00  0.00  0.00  0.76  0.00  0.00  0.55 -   9 [ 0.11 ..  0.76]
  850-> ILE     53 HD1* - VAL     59 HG1* [ 1.80  4.35]  1.60  0.00  0.00  1.66  0.00  0.00  0.00  0.00  0.00  1.03  0.00  0.00  0.00  0.00  0.00  0.00  1.43  0.00  0.00  1.87 -   5 [ 1.03 ..  1.87]
  851-> ILE     53 HD1* - VAL     59 HG2* [ 1.80  4.15]  1.22  0.00  0.00  1.07  0.00  0.00  0.00  0.00  0.00  2.03  0.00  0.00  0.00  0.00  0.00  0.00  1.95  0.00  0.00  1.97 -   5 [ 1.07 ..  2.03]
  852-> ILE     53 HD1* - TYR     81 HE*  [ 1.80  5.05]  1.91  0.00  0.00  1.46  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  0.00  0.00 -   2 [ 1.46 ..  1.91]
  853-> ILE     53 HD1* - LEU     95 HB*  [ 1.80  5.48]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.79  0.00  0.00  0.00  0.00  0.00  0.00  0.59  0.00  0.00  0.56 -   3 [ 0.56 ..  0.79]
  854-> ILE     53 HD1* - LEU     95 HD1* [ 1.80  4.18]  0.59  0.00  0.00  0.35  0.00  0.00  0.00  0.00  0.00  1.65  0.00  0.00  0.00  0.00  0.00  0.00  1.68  0.00  0.00  1.75 -   5 [ 0.35 ..  1.75]
  855-> ILE     53 HD1* - LEU     95 HD2* [ 1.80  4.00]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.17  0.00  0.00  0.00  0.00  0.00  0.00  0.19  0.00  0.00  0.44 -   3 [ 0.17 ..  0.44]
  863-> ILE     53 HG2* - ASN     54 HN   [ 1.80  3.15]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.11  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.11 ..  0.11]
  864-> ILE     53 HG2* - GLY     55 HA*  [ 1.80  5.60]  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  0.00  0.00  0.18  0.00  0.00  0.00 -   1 [ 0.18 ..  0.18]
  865-> ILE     53 HG2* - GLY     55 HN   [ 1.80  3.62]  0.00  0.64  0.04  0.05  0.09  0.44  0.59  0.69  0.00  0.34  0.06  0.07  0.39  0.00  0.00  0.00  0.85  0.03  0.02  0.67 -  17 [ 0.00 ..  0.85]
  866-> ILE     53 HG2* - ASP     56 HN   [ 1.80  6.32]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  1.11  0.00  0.00  1.38  0.00  0.00  0.00  1.18  0.00  0.00  0.00 -   3 [ 1.11 ..  1.38]
  867-> ILE     53 HG2* - LYS     57 HN   [ 1.80  5.35]  0.54  0.61  0.11  0.33  0.08  0.06  0.19  0.24  0.00  1.07  0.09  0.07  1.95  0.00  0.00  0.31  0.98  0.00  0.06  0.16 -  16 [ 0.06 ..  1.95]
  877-> ASN     54 HN   - ASN     54 HB*  [ 1.80  3.00]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.43  0.00  0.00  0.40  0.00  0.00  0.00  0.43  0.00  0.00  0.00 -   3 [ 0.40 ..  0.43]
  883-> ASP     56 HA   - LYS     57 HG*  [ 1.80  5.83]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.26  0.00  0.49  0.45  0.24  0.00  0.00  0.43 -   5 [ 0.24 ..  0.49]
  895-> LYS     57 HG*  - VAL     59 HG1* [ 1.80  4.51]  0.00  0.55  0.53  0.30  0.48  0.79  0.82  0.75  0.62  0.23  0.48  0.69  0.00  0.63  0.00  0.00  0.00  0.49  0.55  0.00 -  14 [ 0.23 ..  0.82]
  931-> ASP     60 HA   - LEU     96 HD1* [ 1.80  5.51]  0.00  0.00  0.00  0.11  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  0.03  0.00  0.00 -   2 [ 0.03 ..  0.11]
  932-> ASP     60 HB*  - ILE     62 HG2* [ 1.80  6.05]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.89  0.00  0.00  0.50  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.50 ..  0.89]
  941-> ASP     60 HB2  - LEU     96 HD1* [ 1.80  4.39]  0.00  0.00  0.00  0.27  0.00  0.00  0.00  0.05  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.12  0.00  0.00 -   3 [ 0.05 ..  0.27]
  947-> ASP     60 HN   - ASN     97 HA   [ 1.80  5.00]  1.86  1.30  0.44  0.31  1.33  1.45  0.39  1.17  0.27  0.37  0.27  0.41  0.36  1.21  0.32  0.42  0.34  0.45  0.41  0.24 -  20 [ 0.24 ..  1.86]
  953-> VAL     61 HA   - LEU     96 HG   [ 1.80  4.86]  0.00  0.00  0.00  0.72  0.00  0.00  0.00  0.25  0.00  0.00  0.25  0.00  0.00  0.36  0.00  0.00  0.00  0.56  0.00  0.00 -   5 [ 0.25 ..  0.72]
  970-> ILE     62 HD1* - VAL     94 HB   [ 1.80  4.54]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.94  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.94 ..  0.94]
  971-> ILE     62 HD1* - VAL     94 HG1* [ 1.80  3.42]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.70  0.00  0.00  1.75  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.70 ..  1.75]
  973-> ILE     62 HD1* - LEU     96 HD2* [ 1.80  3.47]  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  0.11  0.00  0.00  0.00  0.04  0.00  0.00 -   2 [ 0.04 ..  0.11]
  974-> ILE     62 HD1* - ILE    105 HD1* [ 1.80  3.73]  0.06  0.47  0.34  0.00  0.17  0.04  0.50  0.00  0.08  0.54  0.00  0.54  0.00  0.00  0.71  0.15  0.09  0.38  0.00  0.40 -  14 [ 0.04 ..  0.71]
  980-> ILE     62 HG1* - VAL     94 HB   [ 1.80  3.71]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.90  0.00  0.00  2.37  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.90 ..  2.37]
  983-> ILE     62 HG2* - LEU     64 HB*  [ 1.80  6.05]  0.12  0.17  0.24  0.17  0.21  0.22  0.00  0.00  0.06  0.05  0.00  0.00  0.00  0.19  0.18  0.10  0.34  0.21  0.51  0.21 -  15 [ 0.05 ..  0.51]
  984-> ILE     62 HG2* - VAL     94 HB   [ 1.80  4.97]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  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 -   1 [ 0.85 ..  0.85]
  986-> ILE     62 HG2* - LEU     96 HD1* [ 1.80  3.59]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.26  0.00  0.00  0.29  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.26 ..  0.29]
  987-> ILE     62 HG2* - LEU     96 HD2* [ 1.80  3.82]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.59  0.00  0.00  0.55  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.55 ..  0.59]
  994-> LEU     64 HA   - LEU     64 HD2* [ 1.80  3.72]  0.00  0.00  0.00  0.00  0.00  0.00  0.16  0.00  0.00  0.00  0.00  0.11  0.13  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.11 ..  0.16]
  995-> LEU     64 HA   - LEU     74 HD1* [ 1.80  5.97]  1.43  1.38  1.60  1.40  1.18  1.33  0.36  1.42  1.46  1.66  1.42  1.09  1.25  1.17  1.46  3.18  1.17  1.34  0.23  1.08 -  20 [ 0.23 ..  3.18]
  996-> LEU     64 HB*  - LEU     74 HD1* [ 1.80  5.00]  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  0.00  0.00  1.26  0.00  0.00  0.00  0.00 -   2 [ 0.00 ..  1.26]
 1002-> LEU     64 HD1* - VAL     66 HA   [ 1.80  5.25]  1.21  1.30  1.18  1.10  1.18  1.23  0.03  1.24  1.36  1.34  1.31  0.89  0.34  1.25  0.98  0.60  1.24  1.23  1.14  1.18 -  20 [ 0.03 ..  1.36]
 1003-> LEU     64 HD1* - VAL     66 HB   [ 1.80  4.89]  1.28  1.71  1.54  1.29  1.51  1.67  1.27  1.54  1.90  1.99  1.65  2.26  1.75  1.62  1.67  0.56  1.49  1.51  1.44  1.40 -  20 [ 0.56 ..  2.26]
 1004-> LEU     64 HD1* - VAL     66 HG1* [ 1.80  4.04]  1.51  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.01  0.00  0.32  0.00  0.00  0.00  0.86  0.00  0.00  0.00  0.00 -   4 [ 0.01 ..  1.51]
 1005-> LEU     64 HD1* - VAL     66 HG2* [ 1.80  4.64]  0.00  0.78  0.57  0.36  0.59  0.79  0.87  0.58  1.03  1.09  0.66  1.38  1.14  0.69  1.06  0.00  0.65  0.54  0.47  0.52 -  18 [ 0.36 ..  1.38]
 1006-> LEU     64 HD1* - ILE     92 HG2* [ 1.80  5.64]  0.06  0.11  0.00  0.00  0.00  0.00  0.72  0.00  0.28  0.04  0.00  1.04  0.89  0.00  0.42  0.00  0.00  0.00  0.00  0.00 -   8 [ 0.04 ..  1.04]
 1009-> LEU     64 HD1* - SER    112 HN   [ 1.80  4.74]  0.00  0.00  0.00  0.12  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  0.00  0.00 -   1 [ 0.12 ..  0.12]
 1011-> LEU     64 HD2* - ILE    109 HA   [ 1.80  3.73]  0.00  0.00  0.00  0.00  0.00  0.00  1.49  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 [ 1.49 ..  1.49]
 1012-> LEU     64 HD2* - ILE    109 HD1* [ 1.80  4.59]  0.00  0.00  0.00  0.00  0.00  0.00  1.71  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 [ 1.71 ..  1.71]
 1013-> LEU     64 HD2* - ILE    109 HG13 [ 1.80  4.81]  0.00  0.00  0.00  0.00  0.00  0.00  0.75  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 [ 0.75 ..  0.75]
 1014-> LEU     64 HD2* - ILE    109 HG12 [ 1.80  4.81]  0.00  0.00  0.00  0.00  0.00  0.00  1.31  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 [ 1.31 ..  1.31]
 1015-> LEU     64 HD2* - ILE    109 HG2* [ 1.80  4.50]  0.00  0.00  0.00  0.00  0.00  0.00  1.91  0.00  0.00  0.00  0.00  0.00  0.05  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.05 ..  1.91]
 1016-> LEU     64 HD2* - SER    112 HA   [ 1.80  5.42]  0.00  0.00  0.00  0.37  0.27  0.10  0.10  0.00  0.00  0.00  0.06  0.00  0.00  0.08  0.00  0.00  0.00  0.00  0.00  0.00 -   6 [ 0.06 ..  0.37]
 1019-> LEU     64 HD2* - SER    112 HN   [ 1.80  4.66]  0.00  0.00  0.00  0.56  0.42  0.17  0.20  0.00  0.00  0.00  0.25  0.00  0.00  0.06  0.25  0.00  0.00  0.00  0.00  0.00 -   7 [ 0.06 ..  0.56]
 1021-> LYS     65 HA   - VAL     66 HG1* [ 1.80  5.22]  0.27  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  0.32  0.00  0.00  0.00  0.00 -   2 [ 0.27 ..  0.32]
 1026-> LYS     65 HB*  - VAL     66 HG1* [ 1.80  5.74]  0.15  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  0.16  0.00  0.00  0.00  0.00 -   2 [ 0.15 ..  0.16]
 1033-> LYS     65 HD*  - LEU    115 HB3  [ 1.80  4.64]  0.00  0.87  0.71  0.78  0.53  0.32  0.00  0.46  0.00  0.00  0.00  0.28  0.00  1.48  0.15  0.00  1.50  0.57  0.00  1.49 -  12 [ 0.15 ..  1.50]
 1034-> LYS     65 HD*  - LEU    115 HB2  [ 1.80  4.64]  0.14  1.07  1.09  2.06  1.08  0.37  0.00  1.61  0.00  0.00  0.00  0.12  0.00  1.69  1.34  0.00  1.77  0.74  0.00  1.63 -  13 [ 0.12 ..  2.06]
 1036-> LYS     65 HE*  - LEU    115 HB*  [ 1.80  4.41]  0.14  0.84  0.62  1.46  0.69  0.35  0.00  0.87  0.00  0.00  0.00  0.20  0.00  1.17  0.96  0.00  1.48  0.68  0.00  1.48 -  13 [ 0.14 ..  1.48]
 1037-> LYS     65 HE*  - LEU    115 HD*  [ 1.80  4.48]  0.36  0.60  0.77  0.00  0.44  0.17  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.82  0.00  0.00  1.60  0.50  0.00  1.60 -   9 [ 0.17 ..  1.60]
 1038-> LYS     65 HE*  - THR    116 HB   [ 1.80  5.87]  0.32  0.88  0.17  0.62  1.17  0.38  0.00  1.52  0.48  0.55  0.87  0.17  0.47  1.14  1.06  0.12  0.00  0.39  0.54  0.00 -  17 [ 0.12 ..  1.52]
 1039-> LYS     65 HE*  - THR    116 HG2* [ 1.80  4.23]  0.00  0.00  0.00  0.00  0.16  0.00  0.00  0.54  0.00  0.00  0.00  0.00  0.00  0.15  0.00  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.15 ..  0.54]
 1040-> LYS     65 HE3  - LEU    115 HB*  [ 1.80  5.21]  0.84  1.67  1.36  2.27  1.52  1.19  0.00  1.57  0.00  0.00  0.00  1.03  0.00  2.05  1.68  0.00  2.14  1.50  0.00  2.21 -  13 [ 0.84 ..  2.27]
 1041-> LYS     65 HE2  - LEU    115 HB*  [ 1.80  5.21]  0.00  0.23  0.02  0.93  0.08  0.00  0.00  0.29  0.00  0.00  0.00  0.00  0.00  0.59  0.39  0.00  0.99  0.06  0.00  0.97 -  10 [ 0.02 ..  0.99]
 1049-> LYS     65 HN   - LEU     74 HD1* [ 1.80  6.05]  1.17  1.21  1.23  1.31  1.10  1.07  0.38  1.25  1.01  1.10  1.10  1.43  1.18  1.04  1.06  3.15  1.06  1.12  0.81  0.99 -  20 [ 0.38 ..  3.15]
 1052-> LYS     65 HN   - THR    116 HG2* [ 1.80  5.00]  0.00  0.00  0.00  0.00  0.00  0.82  0.00  0.30  0.00  0.00  0.00  1.12  0.00  0.18  0.73  0.00  0.00  0.00  0.00  0.00 -   5 [ 0.18 ..  1.12]
 1055-> VAL     66 HA   - GLN     67 HG*  [ 1.80  5.42]  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  0.00  0.00  0.38  0.00  0.00  0.00 -   1 [ 0.38 ..  0.38]
 1058-> VAL     66 HA   - LEU    115 HD1* [ 1.80  4.28]  0.00  0.00  0.00  0.26  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  0.00  0.00 -   1 [ 0.26 ..  0.26]
 1059-> VAL     66 HA   - LEU    115 HD2* [ 1.80  4.28]  0.00  0.17  0.00  0.00  0.23  0.34  0.54  0.00  0.23  0.00  0.41  0.24  0.42  0.57  0.00  0.15  0.00  0.27  0.20  0.00 -  13 [ 0.00 ..  0.57]
 1060-> VAL     66 HB   - GLN     67 HN   [ 1.80  3.18]  0.87  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  0.94  0.00  0.00  0.00  0.00 -   2 [ 0.87 ..  0.94]
 1061-> VAL     66 HB   - LEU     70 HD1* [ 1.80  4.81]  0.37  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  0.59  0.00  0.00  0.00  0.00 -   2 [ 0.37 ..  0.59]
 1062-> VAL     66 HB   - LEU     74 HD2* [ 1.80  5.06]  1.17  0.79  0.70  0.98  0.32  0.43  0.34  0.73  0.03  0.53  0.55  0.00  0.18  0.55  0.19  0.00  0.42  0.62  0.00  0.59 -  17 [ 0.03 ..  1.17]
 1065-> VAL     66 HG1* - VAL     71 HA   [ 1.80  5.04]  0.00  0.00  0.26  0.15  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  0.00  0.00 -   2 [ 0.15 ..  0.26]
 1069-> VAL     66 HG1* - ILE     92 HG1* [ 1.80  4.27]  0.00  0.00  0.00  0.00  1.05  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.49  0.00  0.00  0.00  0.00 -   2 [ 0.49 ..  1.05]
 1070-> VAL     66 HG1* - ILE     92 HG2* [ 1.80  4.41]  0.00  0.00  0.00  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 -   1 [ 0.15 ..  0.15]
 1071-> VAL     66 HG1* - ILE     92 HN   [ 1.80  5.40]  0.28  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  0.40  0.00  0.00  0.00  0.00 -   2 [ 0.28 ..  0.40]
 1073-> VAL     66 HG2* - PRO     68 HA   [ 1.80  4.96]  1.66  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  1.79  0.00  0.00  0.00  0.00 -   2 [ 1.66 ..  1.79]
 1076-> VAL     66 HG2* - LEU     70 HN   [ 1.80  5.18]  0.81  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  0.81  0.00  0.00  0.00  0.00 -   2 [ 0.81 ..  0.81]
 1077-> VAL     66 HG2* - VAL     71 HA   [ 1.80  4.10]  0.43  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  0.14  0.00  0.00  0.00  0.00 -   2 [ 0.14 ..  0.43]
 1078-> VAL     66 HG2* - VAL     71 HB   [ 1.80  4.49]  1.55  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  1.55  0.00  0.00  0.00  0.00 -   2 [ 1.55 ..  1.55]
 1080-> VAL     66 HG2* - VAL     71 HG2* [ 1.80  4.05]  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  0.00  0.00  0.00  0.00  0.24  0.00 -   1 [ 0.24 ..  0.24]
 1081-> VAL     66 HG2* - VAL     71 HN   [ 1.80  4.39]  0.92  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  0.95  0.00  0.00  0.00  0.00 -   2 [ 0.92 ..  0.95]
 1082-> VAL     66 HG2* - LEU     74 HD2* [ 1.80  2.86]  1.75  2.03  1.75  2.21  1.66  1.94  2.66  2.12  1.91  2.16  2.21  0.00  1.98  1.82  1.95  0.00  1.84  1.92  0.00  1.82 -  17 [ 1.66 ..  2.66]
 1083-> VAL     66 HG2* - LYS     88 HG*  [ 1.80  6.05]  3.44  1.99  1.64  2.00  1.56  2.17  0.37  2.39  1.92  2.34  1.58  2.20  1.89  1.98  2.03  3.26  2.03  2.27  1.83  2.61 -  20 [ 0.37 ..  3.44]
 1084-> VAL     66 HG2* - HIS     90 HA   [ 1.80  4.81]  1.43  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  1.13  0.00  0.00  0.00  0.00 -   2 [ 1.13 ..  1.43]
 1086-> VAL     66 HG2* - ILE     92 HD1* [ 1.80  3.20]  0.00  0.00  0.00  0.00  0.21  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.52  0.00  0.00  0.00  0.02  0.00 -   3 [ 0.02 ..  0.52]
 1090-> VAL     66 HN   - VAL     66 HG1* [ 1.80  3.82]  0.12  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  0.11  0.00  0.00  0.00  0.00 -   2 [ 0.11 ..  0.12]
 1093-> VAL     66 HN   - HIS     90 HN   [ 1.80  6.05]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.02  0.00  0.44  0.00  0.00  0.00  0.00  0.04  0.00  0.00  0.18  0.00 -   4 [ 0.02 ..  0.44]
 1095-> VAL     66 HN   - ILE     92 HG1* [ 1.80  5.87]  0.00  0.00  0.00  0.00  0.83  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.60  0.00  0.00  0.00  0.00 -   2 [ 0.60 ..  0.83]
 1113-> GLN     67 HE2* - GLU     69 HG*  [ 1.80  5.70]  1.30  1.49  1.27  0.00  1.49  1.78  1.07  0.55  0.98  0.62  0.43  1.82  0.99  1.54  1.15  1.59  0.00  1.61  1.69  0.79 -  18 [ 0.43 ..  1.82]
 1114-> GLN     67 HE2* - LEU     70 HG   [ 1.80  5.83]  1.10  0.66  0.03  0.03  0.05  0.34  0.00  0.00  0.00  0.00  0.00  0.02  0.00  0.08  0.00  0.72  0.00  0.25  0.00  0.00 -  10 [ 0.02 ..  1.10]
 1115-> GLN     67 HE2* - LEU    115 HD*  [ 1.80  3.82]  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  0.00  0.00  1.02  0.00  0.02  0.00 -   2 [ 0.02 ..  1.02]
 1116-> GLN     67 HE2* - LEU    115 HG   [ 1.80  5.04]  0.13  0.00  0.00  0.46  0.00  0.00  0.00  0.11  0.00  0.46  0.00  0.00  0.00  0.00  0.21  0.00  3.15  0.00  0.00  0.07 -   7 [ 0.07 ..  3.15]
 1117-> GLN     67 HE21 - LEU     70 HD1* [ 1.80  4.82]  0.97  0.25  0.00  1.25  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.34  0.96  0.00  0.00  0.00 -   5 [ 0.25 ..  1.25]
 1118-> GLN     67 HE21 - LEU    115 HD1* [ 1.80  5.89]  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  0.00  0.00  1.23  0.00  0.00  0.00 -   1 [ 1.23 ..  1.23]
 1120-> GLN     67 HE22 - LEU     70 HD1* [ 1.80  4.82]  2.22  1.57  1.06  1.34  1.00  1.19  0.00  0.20  0.00  0.04  0.24  0.72  0.00  1.05  0.00  1.60  0.63  1.15  0.69  0.10 -  16 [ 0.04 ..  2.22]
 1121-> GLN     67 HE22 - LEU    115 HD1* [ 1.80  5.89]  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  0.00  0.00  1.19  0.00  0.00  0.00 -   1 [ 1.19 ..  1.19]
 1127-> GLN     67 HG*  - LEU    115 HD*  [ 1.80  3.49]  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  0.00  0.00  0.35  0.00  0.00  0.00 -   1 [ 0.35 ..  0.35]
 1134-> GLN     67 HN   - GLN     67 HE2* [ 1.80  5.51]  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  0.00  0.00  0.55  0.00  0.00  0.00 -   1 [ 0.55 ..  0.55]
 1141-> GLN     67 HN   - LEU    115 HD2* [ 1.80  4.40]  0.00  0.00  0.00  0.00  0.00  0.00  0.57  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.08  0.00 -   2 [ 0.08 ..  0.57]
 1142-> PRO     68 HA   - VAL     71 HG1* [ 1.80  3.29]  0.25  0.28  0.00  0.59  0.77  0.50  1.04  0.59  0.78  0.64  0.67  0.96  0.77  0.70  0.97  0.46  0.51  0.49  0.00  0.49 -  18 [ 0.25 ..  1.04]
 1146-> PRO     68 HB*  - VAL     71 HG1* [ 1.80  4.86]  0.00  0.00  0.00  0.00  0.08  0.00  0.49  0.00  0.18  0.00  0.00  0.33  0.21  0.11  0.43  0.00  0.00  0.00  0.00  0.00 -   7 [ 0.08 ..  0.49]
 1148-> PRO     68 HG*  - GLU     69 HN   [ 1.80  3.82]  0.20  0.20  0.20  0.12  0.14  0.16  0.14  0.00  0.11  0.00  0.13  0.14  0.15  0.11  0.10  0.13  0.18  0.14  0.25  0.00 -  17 [ 0.10 ..  0.25]
 1154-> GLU     69 HG*  - LEU     70 HD2* [ 1.80  5.00]  0.42  0.33  0.26  0.55  0.66  0.53  0.51  0.60  0.65  0.67  0.62  0.39  0.69  0.48  0.78  0.40  0.41  0.59  0.32  0.58 -  20 [ 0.26 ..  0.78]
 1157-> GLU     69 HN   - LEU     70 HD1* [ 1.80  5.27]  0.28  0.02  0.00  0.17  0.19  0.22  0.00  0.10  0.14  0.11  0.19  0.00  0.10  0.19  0.15  0.19  0.04  0.21  0.00  0.10 -  16 [ 0.02 ..  0.28]
 1159-> GLU     69 HN   - VAL     71 HG1* [ 1.80  4.83]  1.36  1.36  0.00  1.54  1.58  1.51  1.64  1.44  1.52  1.44  1.44  1.57  1.49  1.59  1.59  1.44  1.47  1.46  0.00  1.39 -  18 [ 1.36 ..  1.64]
 1163-> LEU     70 HA   - SER     73 HB*  [ 1.80  3.98]  0.19  0.00  0.89  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  0.00  0.00  0.00 -   2 [ 0.19 ..  0.89]
 1170-> LEU     70 HD2* - SER     73 HB*  [ 1.80  4.02]  0.47  0.00  1.20  0.30  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  0.00  0.00 -   3 [ 0.30 ..  1.20]
 1177-> LEU     70 HN   - VAL     71 HB   [ 1.80  5.25]  0.00  0.00  0.70  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  0.00  0.69  0.00 -   2 [ 0.69 ..  0.70]
 1178-> LEU     70 HN   - VAL     71 HG1* [ 1.80  4.66]  0.93  0.97  0.00  1.13  1.20  1.07  1.10  1.18  1.16  1.18  1.16  1.04  1.14  1.12  1.25  0.97  1.08  1.12  0.00  1.07 -  18 [ 0.93 ..  1.25]
 1184-> VAL     71 HA   - LEU     74 HD1* [ 1.80  4.77]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  1.03  0.00  0.00  0.00  0.00  0.00  0.00  0.47  0.00 -   2 [ 0.47 ..  1.03]
 1185-> VAL     71 HA   - LEU     74 HD2* [ 1.80  4.33]  0.54  1.46  0.55  0.78  0.96  1.44  1.78  1.45  1.25  1.40  1.46  0.00  1.70  1.23  1.47  0.00  1.31  1.41  0.00  1.49 -  17 [ 0.54 ..  1.78]
 1190-> VAL     71 HB   - ILE     92 HG2* [ 1.80  6.05]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.68  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.68 ..  0.68]
 1192-> VAL     71 HG1* - GLU     89 HA   [ 1.80  4.36]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.57  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.92 -   2 [ 0.57 ..  0.92]
 1193-> VAL     71 HG2* - GLY     72 HA*  [ 1.80  4.16]  0.85  0.77  0.00  0.81  0.77  0.72  0.71  0.78  0.75  0.79  0.78  0.81  0.78  0.77  0.75  0.85  0.76  0.76  0.00  0.77 -  18 [ 0.71 ..  0.85]
 1195-> VAL     71 HG2* - SER     73 HN   [ 1.80  5.33]  0.26  0.12  0.00  0.12  0.11  0.24  0.06  0.16  0.20  0.07  0.00  0.11  0.19  0.29  0.18  0.16  0.14  0.28  0.00  0.10 -  17 [ 0.06 ..  0.29]
 1197-> VAL     71 HG2* - ARG     75 HA   [ 1.80  5.40]  0.81  1.44  0.69  0.44  1.34  1.65  1.82  1.34  1.68  0.90  0.94  1.71  1.93  1.45  1.69  1.18  1.71  1.56  0.89  1.59 -  20 [ 0.44 ..  1.93]
 1198-> VAL     71 HG2* - ARG     75 HB*  [ 1.80  3.42]  1.56  2.21  0.77  1.06  1.70  2.23  2.35  1.58  2.47  1.10  1.02  2.46  2.48  2.30  2.40  1.63  2.44  2.33  0.58  2.38 -  20 [ 0.58 ..  2.48]
 1199-> VAL     71 HG2* - ARG     75 HD3  [ 1.80  5.53]  1.62  0.00  0.00  0.00  0.00  0.49  0.00  0.46  0.71  0.00  2.14  0.78  0.71  0.00  0.59  1.41  0.67  0.52  0.00  0.56 -  12 [ 0.46 ..  2.14]
 1200-> VAL     71 HG2* - ARG     75 HD2  [ 1.80  5.53]  0.71  0.00  0.00  0.80  1.22  0.00  0.00  1.94  0.00  1.26  2.16  0.00  0.00  0.78  0.00  0.78  0.00  0.00  0.00  0.00 -   8 [ 0.71 ..  2.16]
 1201-> VAL     71 HG2* - ARG     75 HE   [ 1.80  6.05]  2.46  0.69  0.00  1.13  1.22  0.00  0.90  0.43  0.00  0.00  0.29  0.00  0.00  0.00  0.00  2.63  0.00  0.00  0.41  0.00 -   9 [ 0.29 ..  2.63]
 1202-> VAL     71 HG2* - ARG     75 HG3  [ 1.80  4.85]  2.04  0.00  0.00  2.08  2.49  0.00  0.21  2.18  0.01  1.85  0.87  0.01  0.18  0.00  0.00  2.31  0.00  0.00  0.00  0.00 -  11 [ 0.01 ..  2.49]
 1203-> VAL     71 HG2* - ARG     75 HG2  [ 1.80  4.85]  2.88  0.93  0.08  1.00  1.25  1.10  1.40  2.89  1.22  2.24  1.78  1.24  1.42  0.94  1.08  2.97  1.19  0.98  0.47  1.04 -  20 [ 0.08 ..  2.97]
 1204-> VAL     71 HG2* - ARG     75 HN   [ 1.80  5.50]  0.00  0.05  0.00  0.00  0.00  0.10  0.25  0.00  0.15  0.00  0.00  0.12  0.32  0.00  0.17  0.00  0.14  0.12  0.00  0.11 -  10 [ 0.05 ..  0.32]
 1205-> VAL     71 HG2* - PRO     82 HA   [ 1.80  6.01]  0.00  0.00  0.00  0.00  0.00  0.38  0.65  0.00  0.00  0.00  0.00  0.74  0.53  0.12  0.47  0.00  0.52  0.28  0.36  0.48 -  10 [ 0.12 ..  0.74]
 1206-> VAL     71 HG2* - GLU     89 HA   [ 1.80  4.18]  0.00  0.00  0.00  0.00  0.00  0.06  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.17  0.00  0.11  0.00  0.00  1.15 -   4 [ 0.06 ..  1.15]
 1207-> VAL     71 HG2* - GLU     89 HG3  [ 1.80  6.05]  0.20  0.00  0.00  0.00  0.00  0.58  0.00  0.00  0.22  0.00  0.46  0.49  0.43  0.00  0.00  0.00  0.57  0.47  0.00  1.34 -   9 [ 0.20 ..  1.34]
 1208-> VAL     71 HG2* - GLU     89 HG2  [ 1.80  6.05]  0.00  0.00  0.00  0.00  0.00  0.22  0.00  0.00  0.00  0.00  0.06  0.00  0.06  0.00  0.00  0.00  0.25  0.35  0.00  1.35 -   6 [ 0.06 ..  1.35]
 1210-> VAL     71 HG2* - ILE     92 HA   [ 1.80  6.05]  0.00  0.00  0.19  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  0.00  1.01  0.00 -   2 [ 0.19 ..  1.01]
 1211-> VAL     71 HN   - VAL     71 HB   [ 1.80  3.15]  0.00  0.00  0.54  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  0.00  0.55  0.00 -   2 [ 0.54 ..  0.55]
 1212-> VAL     71 HN   - VAL     71 HG1* [ 1.80  3.05]  0.75  0.75  0.00  0.76  0.76  0.76  0.76  0.76  0.76  0.76  0.76  0.75  0.75  0.75  0.76  0.74  0.76  0.76  0.00  0.75 -  18 [ 0.74 ..  0.76]
 1217-> GLY     72 HA*  - ARG     75 HD3  [ 1.80  5.84]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.38  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.00 ..  0.38]
 1218-> GLY     72 HA*  - ARG     75 HD2  [ 1.80  5.84]  0.00  0.00  0.03  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  0.00  0.00  0.23  0.00 -   3 [ 0.03 ..  0.23]
 1225-> SER     73 HA   - LYS     76 HE*  [ 1.80  4.16]  0.36  0.10  0.59  0.12  0.00  0.00  0.28  0.37  0.00  0.76  1.14  0.00  0.07  0.00  0.37  0.00  0.00  0.00  1.48  0.22 -  12 [ 0.07 ..  1.48]
 1227-> SER     73 HA   - LYS     76 HG2  [ 1.80  5.96]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.12  0.43  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.12 ..  0.43]
 1229-> SER     73 HA   - LYS     77 HG*  [ 1.80  5.82]  1.23  0.00  0.89  1.45  0.00  0.00  1.48  0.00  0.00  0.00  0.00  0.00  1.52  1.71  1.35  0.00  0.00  0.00  0.02  0.00 -   8 [ 0.02 ..  1.71]
 1231-> SER     73 HB*  - LYS     76 HE*  [ 1.80  4.97]  0.63  0.93  0.92  0.93  0.17  0.75  1.07  1.16  0.00  1.47  1.75  0.01  0.87  0.71  1.16  0.63  0.74  0.70  1.66  1.05 -  19 [ 0.01 ..  1.75]
 1235-> LEU     74 HA   - LYS     76 HE*  [ 1.80  5.26]  2.71  2.26  2.69  2.40  2.22  2.46  2.53  2.43  2.17  2.44  2.62  2.12  2.45  2.34  2.54  2.35  2.35  2.26  2.64  2.39 -  20 [ 2.12 ..  2.71]
 1237-> LEU     74 HA   - LYS     77 HB*  [ 1.80  4.11]  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  0.00  0.00  0.00  0.00  0.46  0.00 -   1 [ 0.46 ..  0.46]
 1238-> LEU     74 HA   - LYS     77 HG*  [ 1.80  4.37]  0.00  0.00  0.24  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.03  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.03 ..  0.24]
 1239-> LEU     74 HA   - LYS     77 HN   [ 1.80  4.00]  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  0.00  0.00  0.00  0.00  0.00  0.10  0.00 -   1 [ 0.10 ..  0.10]
 1242-> LEU     74 HA   - LEU    108 HD2* [ 1.80  3.34]  1.87  1.56  1.91  1.83  1.45  1.74  1.76  1.31  1.19  1.45  1.40  0.02  2.34  1.30  1.35  1.07  1.17  1.29  0.00  1.76 -  19 [ 0.02 ..  2.34]
 1246-> LEU     74 HB*  - LEU    108 HD2* [ 1.80  4.14]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.33  0.00  0.00  0.09  0.00  0.00  0.00  0.00 -   2 [ 0.09 ..  0.33]
 1253-> LEU     74 HD1* - LEU    108 HA   [ 1.80  4.68]  0.30  0.00  0.69  0.00  0.03  0.00  0.09  0.00  0.00  0.00  0.00  0.00  0.07  0.00  0.00  0.04  0.00  0.00  0.00  0.04 -   7 [ 0.03 ..  0.69]
 1254-> LEU     74 HD1* - LEU    108 HB*  [ 1.80  3.71]  0.49  0.00  1.16  0.10  0.29  0.20  0.46  0.00  0.16  0.40  0.10  0.00  0.00  0.31  0.31  0.37  0.39  0.06  0.00  0.45 -  15 [ 0.06 ..  1.16]
 1255-> LEU     74 HD2* - ARG     75 HN   [ 1.80  4.18]  0.54  0.54  0.53  0.59  0.57  0.49  0.52  0.53  0.52  0.53  0.48  0.21  0.52  0.54  0.49  0.63  0.54  0.54  0.00  0.56 -  19 [ 0.21 ..  0.63]
 1256-> LEU     74 HD2* - LYS     76 HN   [ 1.80  4.94]  0.61  0.45  0.44  0.36  0.49  0.65  0.55  0.67  0.50  0.61  0.73  1.23  0.58  0.54  0.53  1.62  0.52  0.51  1.00  0.38 -  20 [ 0.36 ..  1.62]
 1265-> ARG     75 HA   - ARG     75 HE   [ 1.80  5.72]  0.00  0.00  0.00  0.45  0.45  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  0.00 -   2 [ 0.45 ..  0.45]
 1272-> ARG     75 HA   - ILE     92 HG2* [ 1.80  5.43]  0.00  0.00  0.00  0.00  0.03  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.82  0.00  0.00  0.00  0.00 -   2 [ 0.03 ..  0.82]
 1275-> ARG     75 HD*  - PRO     82 HA   [ 1.80  4.81]  0.89  0.00  0.00  1.18  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.94  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.89 ..  1.18]
 1276-> ARG     75 HD*  - PRO     82 HB*  [ 1.80  5.71]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.28  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.28 ..  0.28]
 1278-> ARG     75 HD*  - LYS     88 HD*  [ 1.80  5.00]  1.44  2.81  0.00  1.63  0.82  1.74  0.80  2.50  1.93  2.10  1.28  4.16  1.40  0.00  1.47  2.36  1.32  1.36  1.63  1.58 -  18 [ 0.80 ..  4.16]
 1279-> ARG     75 HD3  - ILE     92 HD1* [ 1.80  6.05]  2.43  0.42  0.21  1.48  0.00  0.54  0.00  1.21  0.53  0.48  1.89  0.00  0.25  0.00  0.96  0.00  0.39  0.44  0.00  0.51 -  14 [ 0.21 ..  2.43]
 1280-> ARG     75 HD2  - ILE     92 HD1* [ 1.80  6.05]  1.54  0.00  1.14  2.36  0.00  0.25  0.00  2.32  0.15  1.74  1.50  0.00  0.00  0.78  1.06  0.00  0.15  0.20  0.00  0.19 -  13 [ 0.15 ..  2.36]
 1281-> ARG     75 HE   - PRO     82 HA   [ 1.80  5.14]  2.28  0.00  0.00  4.18  2.17  0.00  0.00  0.39  0.00  0.15  0.00  0.00  0.00  0.00  0.00  0.98  0.00  0.00  0.15  0.00 -   7 [ 0.15 ..  4.18]
 1282-> ARG     75 HE   - PRO     82 HD*  [ 1.80  5.16]  0.00  0.00  0.87  1.36  0.78  0.00  0.00  0.01  0.00  0.00  0.00  0.00  0.00  0.80  0.38  0.00  0.40  0.10  0.00  0.53 -   9 [ 0.01 ..  1.36]
 1283-> ARG     75 HE   - PRO     82 HG*  [ 1.80  4.97]  0.00  0.00  0.00  0.62  0.00  0.00  0.00  0.51  0.00  0.57  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.51 ..  0.62]
 1284-> ARG     75 HE   - LYS     88 HD*  [ 1.80  5.48]  1.71  3.72  1.00  3.76  3.00  1.29  1.73  3.39  1.36  3.60  0.55  2.72  0.98  0.03  1.13  3.55  1.23  1.08  2.73  1.29 -  20 [ 0.03 ..  3.76]
 1285-> ARG     75 HG*  - TYR     81 HA   [ 1.80  4.86]  0.00  0.00  0.00  0.87  0.20  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  0.00  0.00 -   3 [ 0.13 ..  0.87]
 1286-> ARG     75 HG*  - PRO     82 HB*  [ 1.80  4.28]  0.25  0.00  0.00  1.39  1.03  0.52  0.00  0.00  0.49  0.00  0.00  1.69  0.34  0.30  0.18  0.00  0.15  0.64  1.69  0.00 -  12 [ 0.15 ..  1.69]
 1288-> ARG     75 HG*  - THR     93 HN   [ 1.80  6.05]  1.22  0.00  0.00  2.76  1.64  0.00  0.00  0.00  0.00  0.00  0.00  0.09  0.00  0.00  0.00  0.55  0.00  0.00  0.00  0.00 -   5 [ 0.09 ..  2.76]
 1290-> ARG     75 HG3  - ILE     80 HG2* [ 1.80  5.06]  0.12  0.00  0.00  1.39  0.91  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  0.00 -   3 [ 0.12 ..  1.39]
 1291-> ARG     75 HG3  - PRO     82 HA   [ 1.80  5.58]  0.19  0.00  0.00  2.19  0.68  0.00  0.00  0.00  0.00  0.00  0.00  0.60  0.00  0.00  0.00  0.00  0.00  0.00  0.16  0.00 -   5 [ 0.16 ..  2.19]
 1292-> ARG     75 HG3  - PRO     82 HD*  [ 1.80  5.02]  0.00  0.00  0.03  0.00  0.00  0.40  0.31  0.00  0.00  0.00  0.00  1.57  0.16  0.21  0.47  0.00  0.61  0.67  0.53  0.45 -  11 [ 0.03 ..  1.57]
 1293-> ARG     75 HG3  - ILE     92 HG2* [ 1.80  4.86]  0.79  0.00  0.00  1.87  2.85  0.00  0.00  0.49  0.00  0.00  0.00  0.00  0.00  0.00  0.00  2.52  0.00  0.00  0.00  0.00 -   5 [ 0.49 ..  2.85]
 1295-> ARG     75 HG2  - ILE     80 HG2* [ 1.80  5.06]  1.11  0.00  0.00  1.01  0.50  0.00  0.00  0.04  0.00  0.01  0.00  0.00  0.00  0.00  0.00  0.32  0.00  0.00  0.00  0.00 -   6 [ 0.01 ..  1.11]
 1296-> ARG     75 HG2  - PRO     82 HA   [ 1.80  5.58]  1.91  0.00  0.00  1.95  0.34  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.79  0.00  0.00  0.00  0.00 -   4 [ 0.34 ..  1.95]
 1297-> ARG     75 HG2  - PRO     82 HD*  [ 1.80  5.02]  0.00  0.00  0.00  0.00  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  0.00  0.00 -   1 [ 0.13 ..  0.13]
 1298-> ARG     75 HG2  - ILE     92 HG2* [ 1.80  4.86]  1.99  0.00  0.00  1.12  1.91  0.00  0.00  1.51  0.00  0.87  0.00  0.00  0.00  0.00  0.00  3.58  0.00  0.00  0.00  0.00 -   6 [ 0.87 ..  3.58]
 1305-> ARG     75 HN   - ILE     92 HG2* [ 1.80  5.29]  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  0.00  0.62  0.00  0.00  0.00  0.00 -   1 [ 0.62 ..  0.62]
 1314-> LYS     76 HD*  - LYS     77 HA   [ 1.80  4.09]  1.97  2.01  2.07  1.93  1.99  1.96  1.94  1.95  1.98  1.98  2.03  1.97  1.96  1.94  1.89  1.93  2.02  1.96  1.30  2.14 -  20 [ 1.30 ..  2.14]
 1315-> LYS     76 HD*  - LYS     77 HN   [ 1.80  4.43]  0.56  0.72  0.88  0.43  0.70  0.57  0.55  0.59  0.57  0.75  0.86  0.59  0.38  0.37  0.45  0.48  0.82  0.65  0.22  1.01 -  20 [ 0.22 ..  1.01]
 1316-> LYS     76 HE*  - LYS     77 HG*  [ 1.80  4.02]  5.01  2.63  4.80  4.98  2.75  2.78  4.79  2.66  2.78  2.77  2.83  2.74  5.01  4.99  4.77  2.75  2.78  2.64  1.09  2.86 -  20 [ 1.09 ..  5.01]
 1317-> LYS     76 HE*  - LYS     77 HN   [ 1.80  5.21]  1.05  1.19  1.22  0.95  1.15  1.12  1.08  1.12  1.11  1.19  1.28  1.14  1.00  0.97  1.01  1.04  1.24  1.15  0.50  1.30 -  20 [ 0.50 ..  1.30]
 1318-> LYS     76 HE3  - LYS     77 HN   [ 1.80  6.05]  0.78  0.96  0.99  0.66  0.91  0.87  0.83  0.87  0.86  0.95  1.05  0.90  0.73  0.69  0.74  0.77  1.01  0.90  0.74  1.08 -  20 [ 0.66 ..  1.08]
 1319-> LYS     76 HE2  - LYS     77 HN   [ 1.80  6.05]  1.22  1.35  1.39  1.13  1.32  1.28  1.24  1.29  1.27  1.36  1.44  1.30  1.15  1.14  1.17  1.22  1.41  1.31  0.10  1.47 -  20 [ 0.10 ..  1.47]
 1326-> LYS     76 HN   - LYS     76 HE*  [ 1.80  5.31]  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  0.00  0.00  0.00  0.00  0.64  0.00 -   1 [ 0.64 ..  0.64]
 1327-> LYS     76 HN   - LYS     76 HE3  [ 1.80  6.05]  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  0.00  0.00  0.00  0.00  0.62  0.00 -   1 [ 0.62 ..  0.62]
 1328-> LYS     76 HN   - LYS     76 HE2  [ 1.80  6.05]  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  0.00  0.00  0.00  0.00  0.65  0.00 -   1 [ 0.65 ..  0.65]
 1337-> LYS     77 HB3  - ILE     80 HN   [ 1.80  5.89]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.12  0.00  0.00  0.00  0.00  0.00  0.00  0.56  0.00 -   2 [ 0.12 ..  0.56]
 1338-> LYS     77 HB2  - ILE     80 HN   [ 1.80  5.89]  0.00  0.00  0.00  0.00  0.00  0.00  0.26  0.00  0.00  0.00  0.00  0.00  0.42  0.38  0.17  0.00  0.00  0.00  0.18  0.00 -   5 [ 0.17 ..  0.42]
 1340-> LYS     77 HG*  - LEU    108 HD2* [ 1.80  4.26]  0.65  0.71  1.67  1.05  1.74  2.17  1.39  1.44  1.40  1.77  0.99  0.00  2.04  0.07  1.00  0.72  0.22  1.30  0.00  0.54 -  18 [ 0.07 ..  2.17]
 1342-> LYS     77 HN   - LYS     77 HG*  [ 1.80  3.64]  0.42  0.00  0.41  0.47  0.00  0.00  0.39  0.00  0.00  0.00  0.00  0.00  0.44  0.43  0.38  0.00  0.00  0.00  0.00  0.00 -   7 [ 0.38 ..  0.47]
 1347-> PRO     78 HA   - PRO     99 HG3  [ 1.80  6.05]  0.00  0.00  0.21  2.69  0.00  0.26  0.00  0.00  0.00  0.00  0.00  0.06  0.00  0.00  0.17  0.00  0.03  0.00  0.00  0.00 -   6 [ 0.03 ..  2.69]
 1348-> PRO     78 HA   - PRO     99 HG2  [ 1.80  6.05]  0.00  0.00  0.00  1.11  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  0.00  0.00 -   1 [ 1.11 ..  1.11]
 1352-> GLY     79 HA*  - TYR     81 HE*  [ 1.80  4.25]  4.52  0.00  0.00  4.39  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  0.00  0.00 -   2 [ 4.39 ..  4.52]
 1353-> GLY     79 HA*  - PRO     99 HG*  [ 1.80  4.06]  0.00  0.00  0.00  1.20  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  0.00  0.00 -   1 [ 1.20 ..  1.20]
 1354-> GLY     79 HA*  - LEU    100 HG   [ 1.80  4.47]  0.06  0.00  0.00  0.00  0.00  1.60  0.00  0.00  1.00  0.00  0.00  0.00  1.55  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   4 [ 0.06 ..  1.60]
 1355-> GLY     79 HA3  - LEU    100 HD2* [ 1.80  4.54]  1.31  0.45  0.00  0.00  0.00  0.04  0.00  0.00  0.00  0.00  0.00  0.85  0.19  0.00  0.00  0.00  0.00  0.00  0.37  0.00 -   6 [ 0.04 ..  1.31]
 1356-> GLY     79 HA2  - LEU    100 HD2* [ 1.80  4.54]  2.79  1.93  1.00  0.17  1.40  1.32  0.31  0.24  0.67  0.11  0.46  2.11  1.52  0.98  0.35  1.40  0.58  1.11  1.65  0.46 -  20 [ 0.11 ..  2.79]
 1358-> GLY     79 HN   - TYR     81 HE*  [ 1.80  5.49]  2.99  0.00  0.00  2.76  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  0.00  0.00 -   2 [ 2.76 ..  2.99]
 1359-> GLY     79 HN   - PRO     99 HG*  [ 1.80  4.33]  0.05  0.00  0.00  2.42  0.00  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  0.00 -   3 [ 0.05 ..  2.42]
 1360-> GLY     79 HN   - LEU    100 HD2* [ 1.80  4.80]  2.79  1.86  1.33  0.00  1.02  1.75  0.23  0.53  1.03  0.16  0.87  1.13  1.78  0.96  0.52  0.97  0.54  0.80  0.77  0.40 -  19 [ 0.16 ..  2.79]
 1363-> ILE     80 HA   - TYR     81 HD*  [ 1.80  4.73]  1.21  0.00  0.00  1.20  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  0.00  0.00 -   2 [ 1.20 ..  1.21]
 1365-> ILE     80 HA   - ILE     92 HG2* [ 1.80  6.05]  0.00  0.00  0.00  0.00  0.00  0.00  0.95  0.00  0.00  0.00  0.00  0.00  0.02  0.00  0.00  0.00  0.01  0.00  0.00  0.00 -   3 [ 0.01 ..  0.95]
 1366-> ILE     80 HA   - VAL     94 HG2* [ 1.80  4.23]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.78  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.78 ..  0.78]
 1369-> ILE     80 HA   - LEU    100 HD1* [ 1.80  6.05]  0.00  0.00  0.00  0.00  0.00  0.31  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 [ 0.31 ..  0.31]
 1370-> ILE     80 HA   - LEU    100 HD2* [ 1.80  4.13]  3.28  2.40  2.34  0.74  2.62  0.64  0.91  1.87  0.03  0.76  1.06  2.89  1.01  2.11  1.30  2.56  2.03  2.03  2.88  1.76 -  20 [ 0.03 ..  3.28]
 1373-> ILE     80 HD1* - LEU    100 HB*  [ 1.80  4.74]  0.00  0.04  0.00  0.00  0.00  0.00  0.15  0.00  0.00  0.21  0.46  0.00  0.00  0.14  0.29  0.00  0.54  0.13  0.00  0.38 -   9 [ 0.04 ..  0.54]
 1375-> ILE     80 HG1* - LEU    100 HD2* [ 1.80  4.10]  0.64  0.00  0.00  0.00  0.17  0.00  0.00  0.21  0.00  0.00  0.00  0.39  0.00  0.00  0.00  0.05  0.00  0.00  0.31  0.00 -   6 [ 0.05 ..  0.64]
 1379-> ILE     80 HG2* - PRO     82 HB*  [ 1.80  6.05]  0.00  0.00  0.19  0.00  0.00  0.14  0.01  0.00  0.10  0.00  0.18  0.00  0.06  0.01  0.15  0.00  0.00  0.18  0.00  0.00 -   9 [ 0.01 ..  0.19]
 1382-> ILE     80 HN   - ILE     80 HD1* [ 1.80  3.74]  0.27  0.28  0.33  0.29  0.22  0.24  0.36  0.00  0.26  0.29  0.30  0.00  0.44  0.35  0.25  0.41  0.30  0.40  0.44  0.35 -  18 [ 0.22 ..  0.44]
 1385-> ILE     80 HN   - TYR     81 HD*  [ 1.80  5.87]  0.32  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  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.13 ..  0.32]
 1387-> ILE     80 HN   - LEU    100 HD2* [ 1.80  3.97]  2.67  1.87  1.42  0.00  1.24  1.14  0.30  0.88  0.63  0.24  0.95  2.43  1.46  1.40  0.68  1.60  1.18  1.40  2.17  0.91 -  19 [ 0.24 ..  2.67]
 1393-> TYR     81 HB*  - LEU     95 HD1* [ 1.80  5.87]  0.62  0.94  0.25  0.63  0.41  0.26  0.00  0.00  0.00  0.00  0.00  0.00  0.42  0.00  0.00  0.26  0.00  0.00  0.32  0.00 -   9 [ 0.25 ..  0.94]
 1396-> TYR     81 HD*  - LEU     95 HD2* [ 1.80  6.05]  1.67  0.00  0.00  1.66  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  0.00  0.00 -   2 [ 1.66 ..  1.67]
 1397-> TYR     81 HE*  - LEU     95 HB*  [ 1.80  4.08]  4.77  0.00  0.00  4.91  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  0.00  0.00 -   2 [ 4.77 ..  4.91]
 1398-> TYR     81 HE*  - LEU     95 HD1* [ 1.80  4.92]  4.46  0.17  0.00  4.66  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  0.08  0.00 -   4 [ 0.08 ..  4.66]
 1399-> TYR     81 HE*  - LEU     95 HD2* [ 1.80  4.03]  5.21  0.00  0.00  5.22  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  0.00  0.00 -   2 [ 5.21 ..  5.22]
 1400-> TYR     81 HN   - TYR     81 HD*  [ 1.80  4.31]  0.13  0.00  0.00  0.11  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  0.00  0.00 -   2 [ 0.11 ..  0.13]
 1401-> TYR     81 HN   - ILE     92 HG2* [ 1.80  5.04]  0.00  0.00  0.00  0.00  0.00  0.08  1.10  0.43  0.13  0.06  0.03  0.00  0.31  0.20  0.03  0.30  0.67  0.19  0.00  0.54 -  13 [ 0.03 ..  1.10]
 1404-> PRO     82 HA   - LYS     88 HE*  [ 1.80  5.56]  2.08  2.36  0.00  2.35  0.00  1.22  3.03  2.25  0.36  2.35  1.39  1.68  0.80  0.00  0.92  2.00  2.13  0.94  0.65  0.97 -  17 [ 0.36 ..  3.03]
 1405-> PRO     82 HA   - ILE     92 HG2* [ 1.80  5.04]  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  0.00  0.20  0.00  0.00  0.00  0.00 -   1 [ 0.20 ..  0.20]
 1406-> PRO     82 HB*  - LYS     88 HE3  [ 1.80  5.93]  0.09  0.00  0.00  0.42  0.00  0.53  2.28  1.51  0.00  1.42  0.00  0.95  0.16  0.00  0.23  1.09  0.30  0.04  0.00  0.00 -  12 [ 0.04 ..  2.28]
 1407-> PRO     82 HB*  - LYS     88 HE2  [ 1.80  5.93]  0.00  0.49  0.00  0.00  0.00  0.00  2.93  0.13  0.00  0.31  0.00  0.00  0.00  0.00  0.00  0.01  1.24  0.00  0.00  0.00 -   7 [ 0.00 ..  2.93]
 1408-> PRO     82 HB*  - ILE     92 HG2* [ 1.80  6.05]  0.00  0.00  0.00  0.00  0.20  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.31  0.00  0.00  0.00  0.00 -   2 [ 0.20 ..  0.31]
 1409-> PRO     82 HB3  - LYS     88 HE*  [ 1.80  5.05]  1.45  1.37  0.00  1.20  0.00  0.89  3.01  2.33  0.00  2.45  0.13  1.11  0.37  0.00  0.46  2.26  1.24  0.38  0.00  0.59 -  15 [ 0.13 ..  3.01]
 1410-> PRO     82 HB2  - LYS     88 HE*  [ 1.80  5.05]  0.60  0.86  0.00  0.57  0.00  0.59  4.11  1.03  0.00  1.14  0.97  0.92  0.14  0.00  0.05  0.81  1.96  0.07  0.00  0.05 -  15 [ 0.05 ..  4.11]
 1411-> PRO     82 HG*  - LYS     88 HE*  [ 1.80  5.70]  1.14  0.52  0.00  0.70  0.00  1.25  3.17  1.19  0.00  1.29  0.03  1.43  0.81  0.00  0.81  0.83  1.53  0.72  0.00  0.75 -  15 [ 0.03 ..  3.17]
 1415-> ASN     87 HB*  - TRP     91 HD1  [ 1.80  5.87]  0.00  0.00  0.00  0.00  0.00  0.12  1.12  0.00  0.00  0.00  0.77  1.01  0.00  2.33  0.00  0.00  0.00  0.68  0.00  0.00 -   6 [ 0.12 ..  2.33]
 1416-> ASN     87 HB*  - TRP     91 HE1  [ 1.80  5.53]  0.00  0.00  0.00  1.04  0.02  0.28  2.04  0.00  0.00  0.00  1.22  1.70  0.01  3.06  0.00  0.00  0.00  1.01  0.00  0.00 -   9 [ 0.01 ..  3.06]
 1417-> LYS     88 HA   - TRP     91 HN   [ 1.80  4.82]  0.00  0.43  0.00  0.16  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  0.00  0.00 -   2 [ 0.16 ..  0.43]
 1420-> LYS     88 HG*  - ILE     92 HA   [ 1.80  5.10]  1.12  2.58  0.30  2.13  0.00  1.33  1.63  1.81  0.67  1.81  1.82  1.21  0.78  0.96  1.15  1.17  2.12  1.28  2.01  1.28 -  19 [ 0.30 ..  2.58]
 1421-> LYS     88 HG*  - ILE     92 HD1* [ 1.80  4.29]  4.36  4.94  3.91  4.82  1.95  4.75  3.33  5.08  4.20  5.13  4.68  3.44  4.33  4.39  4.02  3.61  5.07  4.72  1.31  4.75 -  20 [ 1.31 ..  5.13]
 1422-> LYS     88 HG*  - ILE     92 HG2* [ 1.80  4.74]  1.38  1.87  1.13  1.76  2.25  2.19  0.35  2.33  1.46  2.46  1.61  2.40  1.69  1.49  2.04  3.07  2.06  2.05  2.75  2.13 -  20 [ 0.35 ..  3.07]
 1423-> LYS     88 HG*  - THR     93 HN   [ 1.80  6.05]  1.04  2.92  0.06  2.23  0.00  1.28  2.32  1.94  0.43  1.60  2.20  1.05  0.91  1.10  1.30  1.45  2.63  1.34  2.02  1.12 -  19 [ 0.06 ..  2.92]
 1426-> GLU     89 HB*  - HIS     90 HD*  [ 1.80  4.95]  0.00  0.00  0.00  0.00  1.05  0.00  0.00  0.00  0.00  0.00  0.35  0.00  0.00  0.00  0.00  0.00  0.17  0.02  0.99  0.00 -   5 [ 0.02 ..  1.05]
 1429-> GLU     89 HG3  - HIS     90 HD*  [ 1.80  6.05]  0.00  0.00  0.00  0.00  0.42  0.00  0.00  0.00  0.00  0.32  1.79  0.00  0.00  0.00  0.00  0.00  2.11  1.49  2.74  0.00 -   6 [ 0.32 ..  2.74]
 1431-> GLU     89 HG2  - HIS     90 HD*  [ 1.80  6.05]  0.66  0.00  0.60  1.15  0.00  0.25  1.19  0.77  0.37  0.00  2.03  0.28  0.18  0.38  0.00  0.72  2.15  1.95  2.98  0.00 -  15 [ 0.18 ..  2.98]
 1434-> GLU     89 HN   - GLU     89 HG*  [ 1.80  3.66]  0.00  0.00  0.00  0.00  0.55  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.61  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.55 ..  0.61]
 1435-> GLU     89 HN   - HIS     90 HD*  [ 1.80  5.68]  0.00  0.60  0.00  0.00  1.81  0.00  0.00  0.00  0.00  0.00  0.98  0.00  0.00  0.00  0.00  0.00  1.75  1.15  1.49  0.00 -   6 [ 0.60 ..  1.81]
 1436-> GLU     89 HN   - HIS     90 HN   [ 1.80  3.73]  0.00  0.29  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  0.00  0.00  0.00  0.00 -   1 [ 0.29 ..  0.29]
 1437-> HIS     90 HB*  - TRP     91 HD1  [ 1.80  5.06]  0.00  0.00  0.00  0.79  0.50  1.07  0.14  0.00  0.00  0.00  0.62  1.10  1.17  0.00  0.62  0.00  0.00  1.07  0.00  1.01 -  10 [ 0.14 ..  1.17]
 1438-> HIS     90 HB*  - TRP     91 HE1  [ 1.80  4.69]  0.00  0.00  0.00  1.34  0.56  1.41  0.36  0.00  0.00  0.00  1.04  1.48  1.59  0.00  0.67  0.00  0.00  1.46  0.00  1.39 -  10 [ 0.36 ..  1.59]
 1440-> HIS     90 HB3  - TRP     91 HZ2  [ 1.80  6.05]  0.00  0.94  0.07  0.00  0.00  0.43  0.00  0.83  0.19  1.17  0.00  0.28  0.38  0.32  0.11  0.62  1.07  0.29  0.00  1.23 -  14 [ 0.07 ..  1.23]
 1441-> HIS     90 HB2  - TRP     91 HZ2  [ 1.80  6.05]  0.67  0.99  0.00  0.55  0.00  0.00  0.00  0.21  0.17  1.08  0.59  0.00  0.00  0.00  0.00  0.00  0.44  0.00  0.62  0.00 -   9 [ 0.17 ..  1.08]
 1442-> TRP     91 HA   - ILE     92 HD1* [ 1.80  5.81]  0.00  0.00  0.00  0.00  0.24  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.20  0.00  0.00  0.00  0.00 -   2 [ 0.20 ..  0.24]
 1445-> TRP     91 HN   - ILE     92 HD1* [ 1.80  4.91]  1.94  1.91  1.99  1.92  1.50  1.91  1.82  2.15  1.93  2.20  2.26  0.51  1.91  2.06  1.85  1.73  2.20  1.90  0.00  2.11 -  19 [ 0.51 ..  2.26]
 1464-> VAL     94 HG1* - LEU     95 HA   [ 1.80  4.85]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.77  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.77 ..  0.77]
 1466-> VAL     94 HG1* - LEU     96 HA   [ 1.80  4.79]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  1.64  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 1.64 ..  1.64]
 1495-> LEU     96 HA   - LEU     96 HD2* [ 1.80  3.39]  0.00  0.00  0.00  0.38  0.00  0.00  0.00  0.42  0.00  0.00  0.43  0.00  0.00  0.40  0.00  0.00  0.00  0.39  0.00  0.00 -   5 [ 0.38 ..  0.43]
 1502-> LEU     96 HD2* - ILE    109 HD1* [ 1.80  5.43]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.16  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.16 ..  0.16]
 1513-> PRO     99 HB*  - LEU    100 HD2* [ 1.80  5.86]  0.00  0.00  0.00  0.00  0.00  0.04  0.00  0.00  0.42  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.04 ..  0.42]
 1515-> PRO     99 HD*  - LEU    100 HG   [ 1.80  4.72]  0.00  0.00  0.00  0.00  0.00  2.07  0.00  0.00  2.30  0.00  0.00  0.00  0.86  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.86 ..  2.30]
 1520-> LEU    100 HA   - GLY    101 HN   [ 1.80  3.04]  0.00  0.00  0.00  0.36  0.00  0.00  0.00  0.00  0.39  0.38  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.36 ..  0.39]
 1530-> LEU    100 HD1* - GLY    101 HA*  [ 1.80  4.88]  0.86  0.87  0.86  0.38  0.85  0.00  0.92  0.87  0.00  0.39  0.91  0.89  0.68  0.88  0.92  0.85  0.89  0.91  0.81  0.87 -  18 [ 0.38 ..  0.92]
 1531-> LEU    100 HD1* - GLY    101 HN   [ 1.80  4.18]  0.65  0.69  0.59  0.00  0.52  0.00  0.83  0.70  0.00  0.00  0.94  0.67  0.27  0.72  0.82  0.58  0.72  0.66  0.52  0.62 -  16 [ 0.27 ..  0.94]
 1532-> LEU    100 HD1* - GLU    104 HA   [ 1.80  5.62]  0.00  0.00  0.10  1.16  0.00  0.00  0.73  0.00  0.00  0.00  0.51  0.00  1.51  0.06  0.00  0.05  0.00  0.12  0.00  0.23 -   9 [ 0.05 ..  1.51]
 1533-> LEU    100 HD1* - GLU    104 HB3  [ 1.80  4.53]  0.00  0.00  0.00  0.50  0.00  0.00  0.17  0.00  0.00  0.00  0.00  0.00  0.59  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   4 [ 0.00 ..  0.59]
 1534-> LEU    100 HD1* - GLU    104 HB2  [ 1.80  4.53]  0.00  0.00  0.00  0.38  0.00  0.00  0.26  0.00  0.00  0.00  0.11  0.00  0.57  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   4 [ 0.11 ..  0.57]
 1535-> LEU    100 HD1* - GLU    104 HG*  [ 1.80  5.00]  0.22  0.41  0.55  0.67  0.00  0.00  1.03  0.49  0.00  0.00  0.89  0.43  0.80  0.48  0.00  0.44  0.37  0.61  0.33  0.64 -  15 [ 0.22 ..  1.03]
 1536-> LEU    100 HD1* - ILE    105 HA   [ 1.80  4.38]  0.00  0.00  0.00  0.09  0.00  0.10  0.00  0.00  0.80  0.00  0.00  0.00  1.78  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   4 [ 0.09 ..  1.78]
 1537-> LEU    100 HD1* - ILE    105 HG1* [ 1.80  3.72]  0.00  0.00  0.00  0.00  0.00  0.11  0.00  0.00  0.62  0.00  0.00  0.00  0.43  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.11 ..  0.62]
 1538-> LEU    100 HD1* - ILE    105 HN   [ 1.80  4.94]  0.00  0.00  0.00  0.10  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  1.24  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.10 ..  1.24]
 1545-> LEU    100 HN   - LEU    100 HD2* [ 1.80  4.03]  0.00  0.00  0.00  0.00  0.00  0.27  0.00  0.00  0.59  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.27 ..  0.59]
 1546-> LEU    100 HN   - LEU    100 HG   [ 1.80  4.10]  0.00  0.00  0.00  0.00  0.00  0.46  0.00  0.00  0.69  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.46 ..  0.69]
 1568-> ALA    102 HB*  - LYS    103 HG*  [ 1.80  4.42]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.81  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.81 ..  0.81]
 1572-> ALA    102 HB*  - ILE    105 HD1* [ 1.80  4.65]  0.00  0.00  0.00  0.10  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.14  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.10 ..  0.14]
 1588-> LYS    103 HN   - LYS    103 HG*  [ 1.80  3.69]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.34  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.34 ..  0.34]
 1605-> ILE    105 HA   - LEU    108 HD1* [ 1.80  3.52]  1.99  0.00  1.69  0.00  2.16  0.00  0.00  0.00  0.77  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   4 [ 0.77 ..  2.16]
 1607-> ILE    105 HA   - LEU    108 HG   [ 1.80  3.96]  1.53  0.00  1.14  0.00  1.51  0.00  0.00  0.00  1.60  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   4 [ 1.14 ..  1.60]
 1611-> ILE    105 HA   - ILE    109 HG12 [ 1.80  6.05]  0.00  0.00  0.00  0.22  0.00  0.00  0.00  0.06  0.00  0.00  0.09  0.00  0.14  0.00  0.00  0.00  0.00  0.13  0.15  0.00 -   6 [ 0.06 ..  0.22]
 1621-> ILE    105 HG2* - HIS    106 HD2  [ 1.80  4.58]  2.53  0.00  0.64  0.82  0.00  0.75  0.00  0.68  2.40  0.00  0.00  0.67  0.80  0.00  0.00  0.70  0.00  0.59  0.77  1.12 -  12 [ 0.59 ..  2.53]
 1634-> HIS    106 HA   - HIS    106 HD2  [ 1.80  3.96]  0.52  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.61  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.52 ..  0.61]
 1641-> HIS    106 HD2  - ILE    109 HD1* [ 1.80  4.09]  1.63  0.00  0.00  0.00  0.00  0.00  0.00  0.00  1.86  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 1.63 ..  1.86]
 1643-> HIS    106 HN   - HIS    106 HD2  [ 1.80  4.48]  0.89  0.00  0.57  0.58  0.00  0.59  0.00  0.57  0.85  0.00  0.00  0.59  0.59  0.00  0.00  0.56  0.00  0.56  0.57  0.62 -  12 [ 0.56 ..  0.89]
 1645-> HIS    106 HN   - LEU    108 HG   [ 1.80  5.92]  1.95  0.06  1.62  0.00  1.84  0.00  0.00  0.00  2.17  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   5 [ 0.06 ..  2.17]
 1652-> SER    107 HB*  - LEU    108 HD2* [ 1.80  4.17]  1.47  0.00  1.50  0.00  1.51  0.00  0.00  0.00  0.32  0.00  0.00  0.15  0.00  0.00  0.13  0.00  0.00  0.09  0.14  0.06 -   9 [ 0.06 ..  1.51]
 1653-> SER    107 HB*  - LEU    108 HG   [ 1.80  4.62]  1.83  0.00  1.72  0.00  1.87  0.00  0.00  0.00  1.02  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   4 [ 1.02 ..  1.87]
 1657-> SER    107 HN   - LEU    108 HD2* [ 1.80  5.92]  0.60  0.00  0.46  0.00  0.46  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  0.00 -   3 [ 0.46 ..  0.60]
 1658-> SER    107 HN   - LEU    108 HG   [ 1.80  4.58]  2.66  0.09  2.50  0.10  2.47  0.21  0.04  0.16  2.44  0.09  0.06  0.17  0.10  0.05  0.08  0.04  0.00  0.19  0.00  0.24 -  18 [ 0.04 ..  2.66]
 1660-> SER    107 HN   - GLU    110 HB3  [ 1.80  6.05]  1.17  0.00  0.83  0.00  0.00  0.00  0.00  0.93  1.00  1.13  0.87  0.91  0.00  0.96  0.96  1.00  0.00  0.90  0.15  1.34 -  13 [ 0.15 ..  1.34]
 1661-> SER    107 HN   - GLU    110 HB2  [ 1.80  6.05]  0.00  0.00  0.00  0.00  0.00  0.11  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.21  0.00 -   2 [ 0.11 ..  0.21]
 1663-> LEU    108 HA   - LEU    108 HD2* [ 1.80  3.22]  0.60  0.00  0.61  0.00  0.60  0.00  0.00  0.00  0.54  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   4 [ 0.54 ..  0.61]
 1671-> LEU    108 HG   - ILE    109 HN   [ 1.80  5.04]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.23  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.23 ..  0.23]
 1673-> LEU    108 HN   - LEU    108 HD2* [ 1.80  3.82]  0.48  0.00  0.47  0.00  0.48  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  0.00 -   3 [ 0.47 ..  0.48]
 1674-> LEU    108 HN   - LEU    108 HG   [ 1.80  3.20]  1.33  0.00  1.29  0.00  1.29  0.00  0.00  0.00  1.13  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   4 [ 1.13 ..  1.33]
 1692-> ILE    109 HG2* - SER    112 HA   [ 1.80  6.05]  0.12  0.24  0.12  0.40  0.00  0.48  0.41  0.03  0.00  0.10  0.00  0.00  0.13  0.41  0.20  0.07  0.17  0.21  0.15  0.41 -  16 [ 0.03 ..  0.48]
 1710-> GLU    110 HG*  - GLN    114 HE2* [ 1.80  5.24]  0.19  0.00  0.00  0.00  0.00  0.00  0.00  0.24  0.41  4.06  1.43  0.00  0.00  0.00  2.76  0.18  0.00  0.00  0.00  0.14 -   8 [ 0.14 ..  4.06]
 1716-> ASP    111 HA   - LEU    115 HN   [ 1.80  5.50]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.22  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.39  0.00 -   2 [ 0.22 ..  0.39]
 1719-> ASP    111 HB*  - LEU    115 HD*  [ 1.80  4.70]  0.00  0.00  0.00  0.22  0.00  0.00  0.00  0.76  0.00  0.00  0.39  0.00  0.00  0.00  0.16  0.00  0.00  0.00  0.53  0.00 -   5 [ 0.16 ..  0.76]
 1726-> SER    112 HA   - THR    116 HG2* [ 1.80  4.36]  0.00  0.00  0.00  0.00  0.00  0.55  0.00  0.31  0.00  0.74  0.01  0.57  0.00  0.00  0.95  0.09  0.00  0.59  0.68  0.13 -  10 [ 0.01 ..  0.95]
 1727-> SER    112 HA   - THR    116 HN   [ 1.80  5.00]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.62  0.19  0.00  0.00  0.00  0.00  0.00  0.03  0.29  0.00 -   4 [ 0.03 ..  0.62]
 1728-> SER    112 HB3  - THR    116 HG2* [ 1.80  4.95]  0.00  0.50  0.04  0.00  0.00  1.18  0.00  0.30  0.00  0.96  0.00  1.28  0.00  0.00  1.59  0.09  0.00  1.25  0.22  0.65 -  11 [ 0.04 ..  1.59]
 1729-> SER    112 HB2  - THR    116 HG2* [ 1.80  4.95]  0.00  0.67  0.20  0.10  0.00  1.23  0.05  0.82  0.00  1.23  0.18  1.47  0.00  0.22  1.84  0.54  0.00  1.29  0.77  0.62 -  15 [ 0.05 ..  1.84]
 1733-> SER    112 HN   - LEU    115 HD*  [ 1.80  5.20]  0.00  0.00  0.00  0.18  0.00  0.00  0.00  0.64  0.00  0.00  0.55  0.00  0.00  0.00  0.36  0.00  0.00  0.00  0.58  0.00 -   5 [ 0.18 ..  0.64]
 1734-> PHE    113 HA   - GLN    114 HG*  [ 1.80  5.71]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.77  0.00  0.00  0.00  0.00  0.65  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.65 ..  0.77]
 1743-> GLN    114 HA   - ARG    117 HB*  [ 1.80  4.11]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.44  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.44 ..  0.44]
 1744-> GLN    114 HA   - ARG    117 HD*  [ 1.80  4.63]  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  0.00  0.22  0.00  0.00  0.00  0.00 -   1 [ 0.22 ..  0.22]
 1745-> GLN    114 HA   - ARG    117 HE   [ 1.80  6.05]  0.03  0.14  0.00  0.34  0.24  0.13  0.00  0.44  0.70  0.00  0.00  0.01  0.24  0.00  0.00  0.88  0.22  0.00  0.00  0.00 -  11 [ 0.01 ..  0.88]
 1747-> GLN    114 HA   - ARG    117 HG2  [ 1.80  5.64]  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  0.00  0.26  0.00  0.00  0.01  0.00 -   2 [ 0.01 ..  0.26]
 1752-> GLN    114 HN   - GLN    114 HG*  [ 1.80  3.82]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.18  0.00  0.00  0.00  0.00  0.18  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.18 ..  0.18]
 1765-> LEU    115 HB2  - THR    116 HA   [ 1.80  5.46]  0.00  0.00  0.00  0.17  0.00  0.00  0.00  0.16  0.00  0.00  0.00  0.00  0.00  0.00  0.27  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.16 ..  0.27]
 1770-> LEU    115 HN   - LEU    115 HG   [ 1.80  4.21]  0.00  0.00  0.00  0.27  0.00  0.00  0.00  0.26  0.00  0.00  0.00  0.00  0.00  0.00  0.29  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.26 ..  0.29]
 1797-> LEU    118 HA   - GLU    119 HN   [ 1.80  2.93]  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  0.60  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.60 ..  0.60]
 1800-> LEU    118 HB*  - GLU    119 HA   [ 1.80  4.94]  0.00  0.00  0.47  0.00  0.40  0.00  0.00  0.00  0.53  0.04  0.03  0.00  0.13  0.00  0.04  0.00  0.00  0.09  0.00  0.00 -   8 [ 0.03 ..  0.53]
 1802-> LEU    118 HB*  - HIS    120 HN   [ 1.80  5.72]  0.00  0.00  0.00  0.00  0.93  0.00  0.00  0.00  0.00  0.00  0.00  0.04  0.02  0.00  0.68  0.00  0.00  0.00  0.00  0.00 -   4 [ 0.02 ..  0.93]
 1803-> LEU    118 HD2* - GLU    119 HG*  [ 1.80  5.46]  0.71  0.77  0.00  0.00  0.01  0.72  0.00  0.00  0.00  0.88  0.79  0.00  0.80  1.53  0.00  1.25  0.00  0.00  0.00  0.00 -   9 [ 0.01 ..  1.53]
 1808-> LEU    118 HN   - LEU    118 HG   [ 1.80  4.16]  0.23  0.23  0.31  0.00  0.31  0.29  0.00  0.00  0.35  0.30  0.22  0.00  0.31  0.00  0.35  0.00  0.19  0.00  0.00  0.00 -  11 [ 0.19 ..  0.35]
 1812-> GLU    119 HA   - HIS    120 HN   [ 1.80  2.89]  0.00  0.00  0.00  0.33  0.00  0.61  0.00  0.04  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.21  0.36  0.00  0.00 -   5 [ 0.04 ..  0.61]
 1815-> GLU    119 HG*  - HIS    120 HA   [ 1.80  5.89]  0.20  0.10  0.10  0.00  0.00  0.07  0.00  0.35  0.16  0.00  0.00  0.07  0.00  0.00  0.00  0.00  0.00  0.00  0.10  0.51 -   9 [ 0.07 ..  0.51]
 1819-> GLU    119 HN   - GLU    119 HG3  [ 1.80  4.50]  0.00  0.00  0.00  0.00  0.01  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.30  0.00  0.00  0.00  0.00 -   2 [ 0.01 ..  0.30]
 1820-> GLU    119 HN   - GLU    119 HG2  [ 1.80  4.50]  0.00  0.00  0.00  0.00  0.45  0.00  0.00  0.00  0.00  0.09  0.08  0.00  0.12  0.08  0.00  0.22  0.00  0.00  0.00  0.00 -   6 [ 0.08 ..  0.45]
 1821-> GLU    119 HN   - HIS    120 HB*  [ 1.80  5.44]  0.00  0.00  0.00  0.45  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.90  0.00  0.00  0.00  0.05  0.00  0.00  0.03 -   4 [ 0.03 ..  0.90]
 1822-> HIS    120 HA   - HIS    121 HN   [ 1.80  3.47]  0.09  0.11  0.11  0.00  0.00  0.00  0.00  0.00  0.10  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.10  0.00 -   5 [ 0.09 ..  0.11]
 1824-> HIS    121 HA   - HIS    122 HN   [ 1.80  3.00]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.28  0.00  0.27  0.00  0.00  0.35  0.00  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.27 ..  0.35]
 1825-> HIS    121 HB*  - HIS    122 HN   [ 1.80  3.42]  0.00  0.00  0.33  0.03  0.42  0.17  0.24  0.16  0.00  0.06  0.00  0.37  0.00  0.36  0.45  0.00  0.00  0.11  0.23  0.19 -  14 [ 0.00 ..  0.45]
 1829-> PHE      6 HN   - ASN      2 O    [ 1.70  2.30]  0.00  0.00  0.16  0.00  0.00  0.13  0.00  0.61  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.33  0.00  0.05  0.23  0.79 -   7 [ 0.05 ..  0.79]
 1830-> PHE      6 N    - ASN      2 O    [ 2.70  3.30]  0.00  0.00  0.06  0.00  0.00  0.07  0.00  0.53  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.22  0.00  0.01  0.15  0.68 -   7 [ 0.01 ..  0.68]
 1831-> ILE      7 HN   - ARG      3 O    [ 1.70  2.30]  0.00  0.00  0.24  0.00  0.00  0.19  0.09  0.18  0.00  0.11  0.05  0.00  0.06  0.04  0.00  0.33  0.00  0.17  0.12  0.00 -  11 [ 0.04 ..  0.33]
 1832-> ILE      7 N    - ARG      3 O    [ 2.70  3.30]  0.00  0.00  0.20  0.00  0.00  0.14  0.04  0.15  0.00  0.03  0.00  0.00  0.00  0.00  0.00  0.29  0.00  0.12  0.04  0.00 -   8 [ 0.03 ..  0.29]
 1839-> GLN     11 HN   - ILE      7 O    [ 1.70  2.30]  0.00  0.08  0.00  0.05  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  0.00  0.12 -   3 [ 0.05 ..  0.12]
 1841-> LYS     12 HN   - ASP      8 O    [ 1.70  2.30]  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  0.00  0.00  0.00  0.01  0.00 -   2 [ 0.01 ..  0.15]
 1843-> LYS     13 HN   - TYR      9 O    [ 1.70  2.30]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.19  0.00  0.00  0.00  0.00  0.00  0.31  0.00  0.00 -   2 [ 0.19 ..  0.31]
 1844-> LYS     13 N    - TYR      9 O    [ 2.70  3.30]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.12  0.00  0.00  0.00  0.03  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.03 ..  0.12]
 1845-> ASP     19 HN   - VAL     30 O    [ 1.70  2.30]  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  0.00  0.00  0.00  0.00  0.63  0.00 -   1 [ 0.63 ..  0.63]
 1846-> ASP     19 N    - VAL     30 O    [ 2.70  3.30]  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  0.09  0.00  0.00  0.00  0.13  0.00 -   2 [ 0.09 ..  0.13]
 1847-> TYR     28 HN   - PHE     25 O    [ 1.70  2.30]  0.00  0.15  0.08  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  0.00  0.00  0.28 -   3 [ 0.08 ..  0.28]
 1848-> TYR     28 N    - PHE     25 O    [ 2.70  3.30]  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  0.00  0.00  0.00  0.00  0.00  0.19 -   1 [ 0.19 ..  0.19]
 1851-> VAL     30 HN   - ASP     19 O    [ 1.70  2.30]  0.00  0.19  1.76  0.00  0.00  0.00  0.00  0.00  0.75  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   3 [ 0.19 ..  1.76]
 1852-> VAL     30 N    - ASP     19 O    [ 2.70  3.30]  0.00  0.00  1.44  0.00  0.00  0.00  0.00  0.00  0.48  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.48 ..  1.44]
 1853-> PHE     31 HN   - ALA     41 O    [ 1.70  2.30]  0.00  0.00  0.12  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.06  0.00  0.00  0.56  0.00  0.06  0.00  0.00  0.02  0.00 -   5 [ 0.02 ..  0.56]
 1854-> PHE     31 N    - ALA     41 O    [ 2.70  3.30]  0.00  0.00  0.08  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.03  0.00  0.00  0.50  0.00  0.01  0.00  0.00  0.00  0.00 -   4 [ 0.01 ..  0.50]
 1859-> ILE     46 HN   - VAL     59 O    [ 1.70  2.30]  0.26  0.00  0.10  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  0.00  0.00  0.00 -   2 [ 0.10 ..  0.26]
 1875-> VAL     66 HN   - HIS     90 O    [ 1.70  2.30]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.59  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.59 ..  0.59]
 1876-> VAL     66 N    - HIS     90 O    [ 2.70  3.30]  0.00  0.00  0.00  0.00  0.02  0.00  0.00  0.00  0.00  0.00  0.41  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.02 ..  0.41]
 1879-> ILE     92 HN   - LEU     64 O    [ 1.70  2.30]  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  0.00  0.24  0.00  0.00  0.00  0.00 -   1 [ 0.24 ..  0.24]
 1881-> THR     93 HN   - TYR     81 O    [ 1.70  2.30]  0.00  0.00  0.00  0.00  0.00  0.00  0.49  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 [ 0.49 ..  0.49]
 1882-> THR     93 N    - TYR     81 O    [ 2.70  3.30]  0.00  0.00  0.00  0.00  0.00  0.00  0.23  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 [ 0.23 ..  0.23]
 1895-> LEU    108 HN   - GLU    104 O    [ 1.70  2.30]  0.33  0.05  0.09  0.21  0.14  0.02  0.00  0.08  0.00  0.00  0.00  0.00  0.27  0.08  0.00  0.44  0.06  0.00  0.56  0.00 -  12 [ 0.02 ..  0.56]
 1896-> LEU    108 N    - GLU    104 O    [ 2.70  3.30]  0.27  0.00  0.01  0.09  0.08  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.16  0.00  0.00  0.32  0.00  0.00  0.33  0.00 -   7 [ 0.01 ..  0.33]
 1899-> GLU    110 HN   - HIS    106 O    [ 1.70  2.30]  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  0.00  0.00  0.00  0.00  0.10  0.00 -   1 [ 0.10 ..  0.10]
 1901-> ASP    111 HN   - SER    107 O    [ 1.70  2.30]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.21  0.00  0.00  0.00  0.00  0.00  0.00  0.39  0.00 -   2 [ 0.21 ..  0.39]
 1902-> ASP    111 N    - SER    107 O    [ 2.70  3.30]  0.00  0.00  0.00  0.00  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  0.30  0.00 -   2 [ 0.13 ..  0.30]
 1903-> SER    112 HN   - LEU    108 O    [ 1.70  2.30]  0.00  0.00  0.00  0.00  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  0.05  0.00 -   2 [ 0.05 ..  0.20]
 1904-> SER    112 N    - LEU    108 O    [ 2.70  3.30]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.11  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.11 ..  0.11]
 1907-> GLN    114 HN   - GLU    110 O    [ 1.70  2.30]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.60  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.31  0.00 -   2 [ 0.31 ..  0.60]
 1908-> GLN    114 N    - GLU    110 O    [ 2.70  3.30]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.32  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.11  0.00 -   2 [ 0.11 ..  0.32]
   -------------------------------------------  
       Number of Violations greater than 0.10             236   182   170   241   177   176   197   194   163   179   190   166   197   165   193   187   187   182   181   190
   -------------------------------------------  

        ----  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 Mod 19 Mod 20       Averages   
                      ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~     ~~~~~~~~~~~  
      0.1 - 0.2  ang:     19     18     19     25     18     22     27     16     16     23     15     21     36     17     23     21     20     25     25     20        21.30
      0.2 - 0.5  ang:     47     37     36     43     41     51     46     41     34     30     40     39     46     33     48     50     40     43     37     42        41.20
        > 0.5    ang:    170    127    115    173    118    103    124    137    113    126    135    106    115    115    122    116    127    114    119    128       125.15
        Total       :    262    203    200    264    194    201    218    215    181    207    216    190    219    183    212    215    207    209    210    215       211.05
 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  0.000        0.000
 Maximum Violation  :  6.890  7.423  8.609  5.216  4.020  4.748  5.984  5.409  6.641  5.129  4.683  4.158  5.451  4.991  4.770  6.466  5.068  4.720  4.173  4.929        8.609
    Max  Intra Viol :  1.334  0.754  1.291  0.765  1.292  0.758  0.763  0.757  1.127  0.755  0.760  0.748  0.754  0.755  0.760  0.744  0.756  0.759  0.647  0.750        1.334
    Max  Seque Viol :  5.010  3.864  4.803  4.978  4.020  4.001  4.792  3.604  4.254  3.495  3.188  4.015  5.015  4.991  4.770  3.921  4.001  3.937  3.909  3.383        5.015
    Max Medium Viol :  4.523  4.937  3.914  4.821  2.488  4.748  5.610  5.084  4.201  5.129  4.683  3.443  4.331  4.388  4.015  4.101  5.068  4.720  2.749  4.754        5.610
    Max   Long Viol :  6.890  7.423  8.609  5.216  3.002  4.428  5.984  5.409  6.641  3.597  4.638  4.158  5.451  4.048  3.002  6.466  4.007  2.273  4.173  4.929        8.609
 Average Violation  :  0.185  0.103  0.091  0.148  0.098  0.089  0.128  0.112  0.099  0.099  0.111  0.088  0.102  0.091  0.102  0.107  0.114  0.089  0.091  0.096      0.10717
    Avge Intra Viol :  0.018  0.004  0.014  0.011  0.014  0.007  0.008  0.007  0.017  0.007  0.007  0.005  0.009  0.006  0.008  0.008  0.008  0.006  0.012  0.006      0.00919
    Avge Seque Viol :  0.167  0.116  0.082  0.110  0.099  0.098  0.122  0.121  0.100  0.130  0.121  0.096  0.120  0.104  0.129  0.147  0.105  0.095  0.112  0.097      0.11364
    Avge Mediu Viol :  0.157  0.111  0.112  0.114  0.147  0.134  0.123  0.100  0.147  0.099  0.112  0.124  0.142  0.095  0.131  0.121  0.140  0.137  0.129  0.109      0.12427
    Avge  Long Viol :  0.336  0.156  0.139  0.298  0.124  0.110  0.221  0.186  0.125  0.139  0.176  0.115  0.125  0.137  0.126  0.134  0.179  0.107  0.102  0.151      0.15926
 RMS     Violation  :  0.726  0.444  0.422  0.553  0.410  0.399  0.561  0.460  0.458  0.412  0.464  0.395  0.437  0.396  0.422  0.471  0.484  0.377  0.392  0.402      0.46109
   RMS   Intra      :  0.109  0.044  0.094  0.070  0.097  0.057  0.059  0.055  0.105  0.053  0.055  0.050  0.064  0.053  0.060  0.061  0.062  0.056  0.077  0.058      0.06941
   RMS   Sequential :  0.591  0.452  0.337  0.458  0.384  0.408  0.507  0.477  0.418  0.506  0.449  0.384  0.454  0.440  0.472  0.546  0.458  0.387  0.389  0.393      0.44943
   RMS Medium range :  0.614  0.436  0.482  0.460  0.565  0.549  0.554  0.406  0.603  0.405  0.419  0.531  0.584  0.431  0.563  0.518  0.567  0.546  0.542  0.419      0.51428
   RMS  Long range  :  1.069  0.577  0.560  0.813  0.438  0.407  0.767  0.613  0.522  0.470  0.636  0.428  0.455  0.466  0.413  0.530  0.598  0.356  0.403  0.520      0.57642


 Final --global-- Summary for 20 models, 1908 NOEs/model, 38160 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 
     Summ of viol :   4089.430
    Summ sq. viol :   8113.127
     Maximum viol :      8.609
     Average viol :    0.10717
        RMSD viol :    0.46109
   Std. Dev. viol :    0.44847
      RMS   Intra :    0.06941 
      RMS   Seque :    0.44943 
      RMS   Medi  :    0.51428 
      RMS   Long  :    0.57642

table of dihedral angle constraints violations

   16-> [ALA  A  10] PSI    -62.8  -22.8    0.0    0.0    0.0    2.7    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 -   1 [   0.0 ..    2.7] 
   17-> [GLN  A  11] PHI    -81.2  -41.2    0.0    0.0    3.8    9.8    0.0    0.0    0.0    0.0    3.5    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0 -   3 [   0.0 ..    9.8] 
   19-> [LYS  A  12] PHI    -84.3  -44.3    0.0    0.6    1.0    0.0    0.0    0.0    0.0    0.0    0.0    5.0    2.0   12.5    0.0    0.3    9.8    0.0    2.5   12.4   10.4    0.0 -  10 [   0.0 ..   12.5] 
   21-> [LYS  A  13] PHI    -87.3  -47.3    0.0   12.8   12.7   17.7   12.7   10.7    0.0    0.0   15.5   12.9    0.0    0.0    0.0   12.7    0.0    9.4    0.0    0.0    0.0   12.4 -  10 [   0.0 ..   17.7] 
   22-> [LYS  A  13] PSI    -52.8  -12.8    0.0    0.0    0.0    0.0    0.0    0.0    0.0    1.5    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0 -   1 [   0.0 ..    1.5] 
   23-> [TYR  A  14] PHI   -144.7  -84.7    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    9.1    0.0 -   1 [   0.0 ..    9.1] 
   25-> [THR  A  16] PHI   -139.9  -79.9    0.0    0.0    0.0    0.0    0.0    0.0    3.3    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 -   1 [   0.0 ..    3.3] 
   26-> [THR  A  16] PSI    109.7  169.7    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    5.0    0.0    0.0    0.0    0.0    0.0   12.2    0.0    0.0 -   2 [   0.0 ..   12.2] 
   27-> [LYS  A  17] PHI   -142.7  -82.7    0.1    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    1.1    0.0   18.3   10.2    0.0    0.0    0.0    0.0    0.0    5.1    0.0 -   5 [   0.0 ..   18.3] 
   28-> [LYS  A  17] PSI     95.4  155.4    0.0    2.4    0.0    0.0    0.0    0.0    0.0    0.0    5.8    0.0    0.0    0.0    0.0    1.0    0.0    0.0    0.0    2.2    0.0    0.0 -   4 [   0.0 ..    5.8] 
   30-> [PRO  A  18] PSI    114.1  174.1    0.0    0.0    0.0    0.0    0.0    1.7    0.0    5.1    0.0    0.0    0.0    0.0    3.4    4.4    0.0    0.0    0.0    0.0    0.0    3.8 -   5 [   0.0 ..    5.1] 
   31-> [ASP  A  19] PHI   -161.9 -101.9   10.5    0.0    0.0    8.8   14.4   14.1    0.0   16.6    0.0   11.0   15.2    0.0   23.6   17.3    0.0   11.8   16.8    0.0    0.0    9.3 -  12 [   0.0 ..   23.6] 
   32-> [ASP  A  19] PSI    122.2 -177.8    0.0   24.2   28.0   18.6    0.0    0.0    0.0   16.6   26.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0 -   5 [   0.0 ..   28.0] 
   33-> [HIS  A  20] PHI   -146.5  -86.5    0.0    2.0   21.3    5.3    0.0    0.0    0.0    8.3    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0 -   4 [   0.0 ..   21.3] 
   34-> [HIS  A  20] PSI     87.7  147.7   17.4    0.0    0.0    0.0   20.2   14.9   13.5    0.0    0.0   17.6   19.8   17.2   21.1   16.9   21.8   18.1   12.7   17.7   17.4   13.1 -  15 [   0.0 ..   21.8] 
   36-> [TRP  A  22] PSI     76.5  136.5    0.0    0.0    8.4    1.5    0.0    0.0    0.0    2.9    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0 -   3 [   0.0 ..    8.4] 
   37-> [GLU  A  23] PHI    -94.7  -34.7    0.0    0.0    0.0    0.0    0.0    0.0    8.9    0.0    4.3    0.0    0.0    0.0    0.0    0.0    0.0    7.5    0.0    8.3    5.5    0.0 -   6 [   0.0 ..    8.9] 
   38-> [GLU  A  23] PSI    -67.5   -7.5    0.0    0.0   18.4    0.0    0.0    0.0    0.0    0.0   17.4    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0 -   2 [   0.0 ..   18.4] 
   45-> [TYR  A  28] PHI   -132.1  -72.1    0.0    0.0    0.0    2.1    3.4    4.7    0.0    4.5    0.0    1.6    2.0    0.0    3.0    0.0    0.1    0.0    0.0    4.4    4.2    0.0 -  10 [   0.0 ..    4.7] 
   47-> [ALA  A  29] PHI   -159.1  -99.1    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    8.7    0.0    0.0    2.5    0.0    0.0    0.0    0.0    0.0    5.6 -   3 [   0.0 ..    8.7] 
   48-> [ALA  A  29] PSI    114.8  174.8    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    0.0   11.5 -   1 [   0.0 ..   11.5] 
   49-> [VAL  A  30] PHI   -151.8  -91.8    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    0.0    6.4 -   1 [   0.0 ..    6.4] 
   52-> [PHE  A  31] PSI     96.4  156.4    0.0    0.0    2.7    0.0    0.0    0.0    0.0    6.3    0.0    0.0    0.0    0.0    0.0   21.4    0.0    0.0    0.0    0.0    0.0    0.0 -   3 [   0.0 ..   21.4] 
   53-> [ARG  A  32] PHI   -159.0  -99.0    6.5    0.0    0.0    1.1    1.0    0.0    0.8    0.0    0.0    0.0    0.0    5.9    1.0   20.0    0.0    0.0    0.8    4.5    0.0    0.0 -   9 [   0.0 ..   20.0] 
   54-> [ARG  A  32] PSI    132.2 -167.8    0.0    0.0   35.9    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0   14.4    0.0   12.1    0.0    0.0    0.0    2.5 -   5 [   0.0 ..   35.9] 
   55-> [HIS  A  33] PHI    -99.4  -39.4    0.1    0.0    5.6    0.0    0.0    0.0    3.0    0.0    0.0    9.8   10.5    0.7    0.0    0.0   46.2   27.1    0.0    9.8   35.6    0.0 -  10 [   0.0 ..   46.2] 
   56-> [HIS  A  33] PSI    110.2  170.2   37.4    0.0   45.0    0.0    0.0    0.0    0.0    0.0    0.0   21.9    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.3   30.3    0.0 -   5 [   0.0 ..   45.0] 
   59-> [ASP  A  35] PHI   -109.2  -49.2    0.0    0.9    0.0    0.0    0.0   22.5    0.0   34.2    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0 -   3 [   0.0 ..   34.2] 
   60-> [ASP  A  35] PSI    -43.4   16.6    0.0    0.0    0.0    2.3    0.0    0.0    0.0    8.4    0.0    0.0    0.0    0.0    0.0    0.0    1.7    0.0    0.0    0.0    2.4    0.0 -   4 [   0.0 ..    8.4] 
   61-> [ASN  A  36] PHI   -121.8  -61.8    0.0    0.0    0.0    9.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    3.8   13.9    0.0    0.0    3.9    0.0    5.3 -   5 [   0.0 ..   13.9] 
   62-> [ASN  A  36] PSI    -30.0   30.0    0.0   40.6    0.3    0.0    0.0   43.7   10.8    0.0    0.0    0.0    0.0    1.5    0.0    0.0   11.1    0.0    0.0    0.0    9.4    0.0 -   7 [   0.0 ..   43.7] 
   63-> [TYR  A  40] PHI   -158.3  -98.3    0.0    0.0    0.0    0.0    0.0    2.7    0.0    0.0    0.0    0.0    0.1    0.0    0.0    3.0    0.0    0.0    7.8    8.0    6.8    0.0 -   6 [   0.0 ..    8.0] 
   64-> [TYR  A  40] PSI    126.4 -173.6    0.0   40.7    8.8    9.8   36.4    0.0   34.2    1.1    0.0    0.0   17.5    0.0    6.4   21.0   24.9   14.8    0.0   26.7   16.9    0.0 -  13 [   0.0 ..   40.7] 
   65-> [ALA  A  41] PHI   -150.3  -90.3   11.1   12.3    8.4    0.0    0.0    0.0    0.0    4.8    1.4    4.8    0.0    0.0    0.0    0.0    0.0    4.7    4.6    0.0    0.4    0.0 -   9 [   0.0 ..   12.3] 
   66-> [ALA  A  41] PSI    105.9  165.9    0.0    0.0    0.0    0.0    0.0    0.0   21.2    0.0    0.0    0.0    0.0    0.0    0.0    0.0   21.4    0.0    0.0    0.0    0.0    3.6 -   3 [   0.0 ..   21.4] 
   67-> [LEU  A  42] PHI   -160.1 -100.1    0.0    0.0    0.0    0.0    0.0    0.0   11.3    0.0    0.0    0.0    0.0    0.0    0.0    0.0    5.0    0.0    0.0    0.0    0.0    0.0 -   2 [   0.0 ..   11.3] 
   68-> [LEU  A  42] PSI     94.9  154.9    0.0    0.0    0.0    0.0    0.0   10.2    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 -   1 [   0.0 ..   10.2] 
   74-> [ASP  A  45] PSI    114.4  174.4   18.8    8.6   16.4    3.5   10.5    0.0    4.4    7.6   19.7    0.0   14.6    6.9    3.2    0.0   13.2   10.9    0.0    1.3   10.4    3.1 -  16 [   0.0 ..   19.7] 
   76-> [ILE  A  46] PSI     82.0  142.0   23.1    0.0   20.3    0.0   18.9    0.0   18.1   17.8   17.3   18.3   18.4   18.0   16.5   13.9   18.6   19.8   14.9   17.1   19.9   14.0 -  17 [   0.0 ..   23.1] 
   80-> [ALA  A  48] PSI    -61.2  -21.2    0.0    0.0    0.0    0.0    1.7    0.0    0.0    0.0    0.0   10.1    0.0    0.0    6.3    0.0    0.0    0.0    0.0    0.0    0.0    0.0 -   3 [   0.0 ..   10.1] 
   82-> [GLU  A  49] PSI    -55.0  -15.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    1.7    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0 -   1 [   0.0 ..    1.7] 
   83-> [LYS  A  50] PHI    -84.6  -44.6    0.0   10.4    0.0    0.0    0.0    0.0    0.0    0.0    0.0    1.9    0.0    8.4    0.0    0.0    3.0    0.0    0.0    0.0    0.0    0.0 -   4 [   0.0 ..   10.4] 
   84-> [LYS  A  50] PSI    -47.7   -7.7    0.0    8.4    0.0    3.4    0.0    0.0    0.3    0.0    0.0    8.4    1.3    8.6    0.0    0.0    3.1    0.0    0.0    0.0    0.0   10.0 -   8 [   0.0 ..   10.0] 
   93-> [ASP  A  60] PHI   -149.5  -89.5   19.4   15.3   11.3   18.6   12.3    0.6    1.4    8.8    3.4    0.0    3.2    3.6    0.0   19.6    4.5   14.2    0.0    0.0   12.4    0.0 -  15 [   0.0 ..   19.6] 
   98-> [ILE  A  62] PSI    128.5 -171.5    0.0    0.0    0.0    0.0    0.0    0.0    0.0    1.9    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0 -   1 [   0.0 ..    1.9] 
  101-> [LYS  A  65] PHI   -142.4  -82.4    0.0    0.0    0.0    0.0    0.0    0.0    1.3    0.0    0.0    0.0    0.0    0.0    5.7    0.0    0.0    5.0    0.0    0.0    0.0    0.0 -   3 [   0.0 ..    5.7] 
  109-> [LEU  A  70] PHI   -112.3  -72.3    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    1.7    0.0    0.0    0.0    0.0    0.0 -   1 [   0.0 ..    1.7] 
  110-> [LEU  A  70] PSI    -28.8   11.2    0.0    0.0    3.1    2.6    4.4    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    1.2    0.0    0.0 -   4 [   0.0 ..    4.4] 
  112-> [VAL  A  71] PSI    -66.2  -26.2    0.0    0.0    5.7    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    2.0    0.0 -   2 [   0.0 ..    5.7] 
  115-> [SER  A  73] PHI    -85.5  -45.5    0.0    0.0   14.6    3.6    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 -   2 [   0.0 ..   14.6] 
  117-> [LEU  A  74] PHI    -84.8  -44.8    0.0    3.3    0.0    0.0    0.2    0.0    0.0    0.8    0.7   10.9   16.1    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0 -   6 [   0.0 ..   16.1] 
  118-> [LEU  A  74] PSI    -64.1  -24.1    6.2    0.0    0.0    0.3    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 -   2 [   0.0 ..    6.2] 
  121-> [LYS  A  76] PHI   -109.7  -69.7    0.0    0.0    0.0    0.0    0.0    1.8    0.0    3.9    3.1    0.0    0.0    4.3    0.0    0.0    0.0    3.2    0.0    0.1   19.7    0.0 -   7 [   0.0 ..   19.7] 
  122-> [LYS  A  76] PSI    -31.0    9.0    0.0    0.0    0.0    4.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    6.0    4.8    3.6    0.9    0.0    0.0    7.4    0.0 -   6 [   0.0 ..    7.4] 
  127-> [ILE  A  80] PHI   -123.7  -63.7    0.0    0.0    4.9    0.0    0.0    0.0    1.3    0.0    0.0    0.0    0.3    0.0    2.8    1.4    0.0    3.1    0.0    5.2    5.8    0.3 -   9 [   0.0 ..    5.8] 
  129-> [TYR  A  81] PHI   -123.5  -63.5   23.7    6.5   11.9   14.0    4.2   10.8    0.0    0.0   14.4    6.0    9.5    9.7   11.1    5.1    9.1    5.2    0.0    8.5   10.2    0.0 -  16 [   0.0 ..   23.7] 
  130-> [TYR  A  81] PSI     97.6  157.6    0.0    0.0    7.4    0.0    0.6    7.2    5.5    3.6    8.0    3.0    7.3    0.0    7.5    2.5   11.9    0.0    6.5    9.2    0.7    4.3 -  15 [   0.0 ..   11.9] 
  133-> [TRP  A  91] PHI   -155.2  -95.2    0.0   10.8    0.0    0.0    0.0    0.0    0.0    0.2    0.0    0.0   11.9    0.0    0.0    3.5    0.0    0.0    0.0    0.0    0.0    0.0 -   4 [   0.0 ..   11.9] 
  141-> [LEU  A  95] PHI   -144.8  -84.8   10.1    8.8    3.4    5.9    4.0    4.4    0.0    2.7    2.8    2.9    0.0    7.1    7.6    5.6    2.8    0.9    3.7    0.2    3.1    1.2 -  18 [   0.0 ..   10.1] 
  166-> [PHE  A 113] PSI    -63.2  -23.2    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    3.7    0.0    0.0    0.0    0.0    0.0 -   1 [   0.0 ..    3.7] 
  169-> [LEU  A 115] PHI    -85.2  -45.2    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    4.7    0.0   15.3    0.0    0.0    0.0    0.0    0.0    0.0    0.0    7.9    0.0 -   3 [   0.0 ..   15.3] 
  170-> [LEU  A 115] PSI    -54.3  -14.3    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    9.4    0.0   23.7    0.0    0.0    0.0    0.0    0.0    0.0    0.0    2.9    0.0 -   3 [   0.0 ..   23.7] 
  171-> [THR  A 116] PHI   -129.4  -89.4    0.0    0.0    0.0    3.0    0.0    0.0    0.0    8.5    2.2    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0 -   3 [   0.0 ..    8.5] 
  172-> [THR  A 116] PSI    -26.3   13.7    0.0    0.0    0.0    0.0    0.0   27.5    0.0    0.0    0.0   29.8    6.5    0.0    0.0    0.0   18.2   24.9    0.0    5.0    3.3   21.4 -   8 [   0.0 ..   29.8] 

    ----  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 Mod 19 Mod 20        Averages  
                      ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~      ~~~~~~~~~~~ 
 1 - 10.  degrees   :      2      7     12     17      6      6      8     17     11     10      8     10     10     11     11      7      5     13     14     10          9.75
   > 10.  degrees   :      9      8     11      4      7      8      6      4      6      8     10      4      5      9     10      9      3      5     10      6          7.10
        Total       :     13     18     24     23     15     15     16     24     19     18     21     16     17     21     23     18     10     22     26     17         18.80
 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    0.0    0.0          0.00
 Maximum Violation  :   37.4   40.7   45.0   18.6   36.4   43.7   34.2   34.2   26.0   29.8   23.7   18.3   23.6   21.4   46.2   27.1   16.8   26.7   35.6   21.4         46.20
     Max   PHI Viol :   23.7   15.3   21.3   18.6   14.4   22.5   11.3   34.2   15.5   12.9   16.1   18.3   23.6   20.0   46.2   27.1   16.8   12.4   35.6   12.4         46.20
     Max   PSI Viol :   37.4   40.7   45.0   18.6   36.4   43.7   34.2   17.8   26.0   29.8   23.7   18.0   21.1   21.4   24.9   24.9   14.9   26.7   30.3   21.4         44.96
 Average Violation  :    1.1    1.2    1.7    0.9    0.8    1.0    0.8    1.0    0.9    1.0    1.2    0.7    0.8    1.1    1.4    1.1    0.4    0.9    1.5    0.7         1.026
     Avge  PHI Viol :  0.973  0.986  1.073  1.076  0.779  0.918  0.604  1.047  0.806  0.889  1.050  0.906  0.869  1.049  1.057  1.035  0.649  0.871  1.259  0.686         0.943
     Avge  PSI Viol :  1.093  1.209  1.526  0.752  1.039  1.106  1.121  0.931  1.100  1.126  1.126  0.819  0.905  1.080  1.335  1.087  0.630  1.044  1.196  1.008         1.079
 RMS     Violation  :  4.782  5.366  6.203  3.146  4.032  4.843  3.836  3.853  3.727  4.029  4.226  2.993  3.237  4.159  5.541  4.277  2.170  3.514  5.124  2.918         4.212
      RMS  PHI Viol :  3.906  3.252  3.813  3.735  2.567  3.394  1.644  4.490  2.498  2.644  3.675  2.999  3.219  3.950  5.467  3.917  2.113  2.494  5.206  1.993         3.493
      RMS  PSI Viol :  5.521  6.857  7.900  2.418  5.092  5.949  5.170  3.088  4.641  5.047  4.713  2.988  3.254  4.357  5.614  4.609  2.226  4.299  5.040  3.613         4.826


 Final --global-- Summary for 20 models, 172 ACOs/model, 3440 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 
      Summ. Viol. :    3530.85
  Summ. Sq. Viol. :   61034.40
      Max.  Viol. :     46.202
      Avg.  Viol. :    1.02641
      RMS   Viol. :    4.21219
  Std. Dev. Viol. :    4.08522

JPEG image for inter-residue distance constraints per residue plot

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  A   1           0.968   0.678   0.858   0.131                                
   ASN  A   2   0.889   0.952   0.529   0.853                                        2 
   ARG  A   3   0.993   0.981   0.491   0.997   0.583   0.550   1.000       3        3 
   GLN  A   4   0.998   0.998   0.604   0.551   0.904                       4        4 
   GLN  A   5   0.998   0.997   0.940   0.614   0.700                       5        5 
   PHE  A   6   0.998   0.997   0.996   0.995                               6        6 
   ILE  A   7   0.999   0.998   1.000   1.000                               7        7 
   ASP  A   8   0.998   0.998   1.000   1.000                               8        8 
   TYR  A   9   0.997   0.990   0.531   0.678                               9        9 
   ALA  A  10   0.996   0.993                                              10       10 
   GLN  A  11   0.992   0.993   0.595   0.999   0.958                      11       11 
   LYS  A  12   0.987   0.980   0.867   0.999   1.000   0.999              12       12 
   LYS  A  13   0.963   0.995   0.636   0.328   0.997   0.925              13       13 
   TYR  A  14   0.974   0.986   0.991   0.590                              14       14 
   ASP  A  15   0.996   0.997   1.000   1.000                              15       15 
   THR  A  16   0.962   0.958   0.782                                      16       16 
   LYS  A  17   0.979   0.963   0.696   0.999   1.000   1.000              17       17 
   PRO  A  18   0.996   0.945   0.969   0.937                              18       18 
   ASP  A  19   0.889   0.882   0.848   0.998                                       19 
   HIS  A  20   0.925   0.944   0.793   0.780                              20       20 
   PRO  A  21   0.994   0.992   0.921   0.849                              21       21 
   TRP  A  22   0.956   0.937   0.999   0.996                              22       22 
   GLU  A  23   0.975   0.973   0.999   1.000   0.999                      23       23 
   LYS  A  24   0.994   0.983   0.592   0.999   1.000   1.000              24       24 
   PHE  A  25   0.999   0.999   1.000   0.999                              25       25 
   PRO  A  26   0.997   0.994   0.935   0.863                              26       26 
   ASP  A  27   0.990   0.974   0.680   0.983                              27       27 
   TYR  A  28   0.981   0.968   0.928   0.911                              28       28 
   ALA  A  29   0.946   0.978                                              29       29 
   VAL  A  30   0.984   0.996   1.000                                      30       30 
   PHE  A  31   0.980   0.951   0.928   0.498                              31       31 
   ARG  A  32   0.950   0.959   0.168   0.802   0.680   0.683   1.000      32       32 
   HIS  A  33   0.949   0.902   0.680   0.267                              33       33 
   SER  A  34   0.992   0.993   1.000                                      34       34 
   ASP  A  35   0.929   0.937   0.856   0.947                              35       35 
   ASN  A  36   0.960   0.849   0.458   0.664                                       36 
   ASP  A  37   0.814   0.436   0.608   0.879                                        
   LYS  A  38   0.531   0.136   0.864   0.743   0.951   0.873                        
   TRP  A  39   0.459   0.827   0.436   0.128                                        
   TYR  A  40   0.924   0.942   0.550   0.974                              40       40 
   ALA  A  41   0.951   0.936                                              41       41 
   LEU  A  42   0.964   0.974   0.434   0.594                              42       42 
   LEU  A  43   0.977   0.996   0.998   0.956                              43       43 
   MET  A  44   0.988   0.984   0.843   0.941   0.248                      44       44 
   ASP  A  45   0.975   0.983   0.868   0.997                              45       45 
   ILE  A  46   0.998   0.989   0.766   0.999                              46       46 
   PRO  A  47   0.996   0.993   0.967   0.938                              47       47 
   ALA  A  48   0.997   0.993                                              48       48 
   GLU  A  49   0.993   0.990   0.315   0.843   0.938                      49       49 
   LYS  A  50   0.993   0.986   0.999   0.687   1.000   0.999              50       50 
   ILE  A  51   0.992   0.983   1.000   0.999                              51       51 
   GLY  A  52   0.988   0.995                                              52       52 
   ILE  A  53   0.996   0.983   0.999   0.642                              53       53 
   ASN  A  54   0.762   0.291   0.471   0.961                                        
   GLY  A  55   0.489   0.560                                                        
   ASP  A  56   0.389   0.987   0.587   0.926                                        
   LYS  A  57   0.840   0.984   0.603   0.933   1.000   1.000                       57 
   ARG  A  58   0.989   0.997   0.942   0.884   0.679   0.889   1.000      58       58 
   VAL  A  59   0.998   0.997   1.000                                      59       59 
   ASP  A  60   0.990   0.997   0.999   0.962                              60       60 
   VAL  A  61   0.999   0.998   1.000                                      61       61 
   ILE  A  62   0.999   0.989   0.849   1.000                              62       62 
   ASP  A  63   0.986   0.994   0.945   0.988                              63       63 
   LEU  A  64   0.993   0.993   0.813   0.824                              64       64 
   LYS  A  65   0.994   0.997   0.998   0.996   0.997   0.996              65       65 
   VAL  A  66   1.000   0.982   0.852                                      66       66 
   GLN  A  67   0.988   0.996   0.932   0.527   0.884                      67       67 
   PRO  A  68   0.999   0.997   0.961   0.915                              68       68 
   GLU  A  69   0.996   0.997   1.000   1.000   1.000                      69       69 
   LEU  A  70   0.992   0.991   0.999   1.000                              70       70 
   VAL  A  71   0.997   0.986   0.830                                      71       71 
   GLY  A  72   0.996   0.998                                              72       72 
   SER  A  73   0.986   0.992   0.606                                      73       73 
   LEU  A  74   0.990   0.992   0.863   0.790                              74       74 
   ARG  A  75   0.997   0.993   0.543   0.942   0.415   0.884   1.000      75       75 
   LYS  A  76   0.986   0.987   0.933   1.000   1.000   1.000              76       76 
   LYS  A  77   0.985   0.982   0.594   0.326   0.998   0.799              77       77 
   PRO  A  78   0.993   0.990   0.909   0.823                              78       78 
   GLY  A  79   0.990   0.979                                              79       79 
   ILE  A  80   0.995   0.998   1.000   0.881                              80       80 
   TYR  A  81   0.991   0.986   0.856   0.798                              81       81 
   PRO  A  82   0.997   0.998   0.945   0.889                              82       82 
   ALA  A  83   0.983   0.935                                              83       83 
   TYR  A  84   0.853   0.423   0.307   0.982                                        
   HIS  A  85   0.483   0.471   0.438   0.379                                        
   MET  A  86   0.700   0.179   0.613   0.433   0.324                                
   ASN  A  87   0.276   0.285   0.826   0.971                                        
   LYS  A  88   0.351   0.657   0.692   0.933   0.998   0.804                        
   GLU  A  89   0.811   0.920   0.866   0.775   0.946                               89 
   HIS  A  90   0.944   0.916   0.868   0.503                              90       90 
   TRP  A  91   0.973   0.988   0.987   0.427                              91       91 
   ILE  A  92   0.991   0.992   0.681   0.881                              92       92 
   THR  A  93   0.988   0.996   1.000                                      93       93 
   VAL  A  94   0.995   0.996   0.926                                      94       94 
   LEU  A  95   0.995   0.999   1.000   1.000                              95       95 
   LEU  A  96   0.999   0.998   0.979   0.577                              96       96 
   ASN  A  97   0.997   0.993   0.999   0.388                              97       97 
   GLY  A  98   0.998   0.992                                              98       98 
   PRO  A  99   0.991   0.969   0.909   0.822                              99       99 
   LEU  A 100   0.908   0.786   0.875   0.814                                        
   GLY  A 101   0.778   0.988                                                        
   ALA  A 102   1.000   0.999                                             102      102 
   LYS  A 103   0.999   0.997   0.935   1.000   1.000   1.000             103      103 
   GLU  A 104   0.999   0.999   1.000   0.634   0.926                     104      104 
   ILE  A 105   0.998   0.998   1.000   1.000                             105      105 
   HIS  A 106   0.998   0.998   0.642   0.864                             106      106 
   SER  A 107   0.998   0.997   0.470                                     107      107 
   LEU  A 108   0.997   0.998   0.803   0.722                             108      108 
   ILE  A 109   0.999   0.998   1.000   1.000                             109      109 
   GLU  A 110   0.998   0.997   0.626   0.932   0.913                     110      110 
   ASP  A 111   0.999   0.998   1.000   1.000                             111      111 
   SER  A 112   0.999   0.999   0.731                                     112      112 
   PHE  A 113   0.995   0.988   0.594   0.714                             113      113 
   GLN  A 114   0.995   0.999   0.874   0.852   0.971                     114      114 
   LEU  A 115   0.981   0.978   0.793   0.715                             115      115 
   THR  A 116   0.975   0.952   0.999                                     116      116 
   ARG  A 117   0.981   0.857   0.865   0.996   0.576   0.781   1.000              117 
   LEU  A 118   0.807   0.802   0.523   0.569                                      118 
   GLU  A 119   0.314   0.450   0.559   0.859   0.960                                
   HIS  A 120   0.427   0.170   0.168   0.259                                        
   HIS  A 121   0.691   0.609   0.405   0.640                                        
   HIS  A 122   0.655   0.152   0.369   0.220                                        
   HIS  A 123   0.612   0.528   0.486   0.561                                        
   HIS  A 124   0.637   0.123   0.296   0.291                                        
   HIS  A 125   0.673           0.565   0.239

JPEG image of S(phi)~Residue_number Plot

JPEG image of S(psi)~Residue_number Plot

Table of Backbone and Heavy Atom RMSD

Text report of backbone and heavy atom RMSD for ordered regions

 > 
 > Kabsch RMSD data for family `PSR293_R3_em_bcr3.pdb' 
 > 
 > Kabsch RMSD of backbone atoms in res. A[3..18],A[20..35],A[40..53],A[58..83],A[90..99],A[102..116],for model  1 is: 0.937
 > Kabsch RMSD of backbone atoms in res. A[3..18],A[20..35],A[40..53],A[58..83],A[90..99],A[102..116],for model  2 is: 0.841
 > Kabsch RMSD of backbone atoms in res. A[3..18],A[20..35],A[40..53],A[58..83],A[90..99],A[102..116],for model  3 is: 0.867
 > Kabsch RMSD of backbone atoms in res. A[3..18],A[20..35],A[40..53],A[58..83],A[90..99],A[102..116],for model  4 is: 1.389
 > Kabsch RMSD of backbone atoms in res. A[3..18],A[20..35],A[40..53],A[58..83],A[90..99],A[102..116],for model  5 is: 0.736 (*)
 > Kabsch RMSD of backbone atoms in res. A[3..18],A[20..35],A[40..53],A[58..83],A[90..99],A[102..116],for model  6 is: 1.028
 > Kabsch RMSD of backbone atoms in res. A[3..18],A[20..35],A[40..53],A[58..83],A[90..99],A[102..116],for model  7 is: 1.162
 > Kabsch RMSD of backbone atoms in res. A[3..18],A[20..35],A[40..53],A[58..83],A[90..99],A[102..116],for model  8 is: 1.265
 > Kabsch RMSD of backbone atoms in res. A[3..18],A[20..35],A[40..53],A[58..83],A[90..99],A[102..116],for model  9 is: 0.922
 > Kabsch RMSD of backbone atoms in res. A[3..18],A[20..35],A[40..53],A[58..83],A[90..99],A[102..116],for model 10 is: 0.973
 > Kabsch RMSD of backbone atoms in res. A[3..18],A[20..35],A[40..53],A[58..83],A[90..99],A[102..116],for model 11 is: 1.267
 > Kabsch RMSD of backbone atoms in res. A[3..18],A[20..35],A[40..53],A[58..83],A[90..99],A[102..116],for model 12 is: 0.846
 > Kabsch RMSD of backbone atoms in res. A[3..18],A[20..35],A[40..53],A[58..83],A[90..99],A[102..116],for model 13 is: 0.966
 > Kabsch RMSD of backbone atoms in res. A[3..18],A[20..35],A[40..53],A[58..83],A[90..99],A[102..116],for model 14 is: 1.149
 > Kabsch RMSD of backbone atoms in res. A[3..18],A[20..35],A[40..53],A[58..83],A[90..99],A[102..116],for model 15 is: 1.210
 > Kabsch RMSD of backbone atoms in res. A[3..18],A[20..35],A[40..53],A[58..83],A[90..99],A[102..116],for model 16 is: 0.841
 > Kabsch RMSD of backbone atoms in res. A[3..18],A[20..35],A[40..53],A[58..83],A[90..99],A[102..116],for model 17 is: 0.912
 > Kabsch RMSD of backbone atoms in res. A[3..18],A[20..35],A[40..53],A[58..83],A[90..99],A[102..116],for model 18 is: 0.810
 > Kabsch RMSD of backbone atoms in res. A[3..18],A[20..35],A[40..53],A[58..83],A[90..99],A[102..116],for model 19 is: 1.574
 > Kabsch RMSD of backbone atoms in res. A[3..18],A[20..35],A[40..53],A[58..83],A[90..99],A[102..116],for model 20 is: 1.356
 >
 > Kabsch RMSD statistics for 20 structures: 
 > Mean RMSD using as refer. str. `average' for res.[3..18],[20..35],[40..53],[58..83],[90..99],[102..116], is: 1.053 
 > Range of RMSD values to reference struct. is 0.736 to 1.574 


 > Kabsch RMSD of heavy atoms in res. A[3..18],A[20..35],A[40..53],A[58..83],A[90..99],A[102..116],for model  1 is: 1.555
 > Kabsch RMSD of heavy atoms in res. A[3..18],A[20..35],A[40..53],A[58..83],A[90..99],A[102..116],for model  2 is: 1.533
 > Kabsch RMSD of heavy atoms in res. A[3..18],A[20..35],A[40..53],A[58..83],A[90..99],A[102..116],for model  3 is: 1.704
 > Kabsch RMSD of heavy atoms in res. A[3..18],A[20..35],A[40..53],A[58..83],A[90..99],A[102..116],for model  4 is: 1.920
 > Kabsch RMSD of heavy atoms in res. A[3..18],A[20..35],A[40..53],A[58..83],A[90..99],A[102..116],for model  5 is: 1.296 (*)
 > Kabsch RMSD of heavy atoms in res. A[3..18],A[20..35],A[40..53],A[58..83],A[90..99],A[102..116],for model  6 is: 1.450
 > Kabsch RMSD of heavy atoms in res. A[3..18],A[20..35],A[40..53],A[58..83],A[90..99],A[102..116],for model  7 is: 1.501
 > Kabsch RMSD of heavy atoms in res. A[3..18],A[20..35],A[40..53],A[58..83],A[90..99],A[102..116],for model  8 is: 1.742
 > Kabsch RMSD of heavy atoms in res. A[3..18],A[20..35],A[40..53],A[58..83],A[90..99],A[102..116],for model  9 is: 1.600
 > Kabsch RMSD of heavy atoms in res. A[3..18],A[20..35],A[40..53],A[58..83],A[90..99],A[102..116],for model 10 is: 1.441
 > Kabsch RMSD of heavy atoms in res. A[3..18],A[20..35],A[40..53],A[58..83],A[90..99],A[102..116],for model 11 is: 1.657
 > Kabsch RMSD of heavy atoms in res. A[3..18],A[20..35],A[40..53],A[58..83],A[90..99],A[102..116],for model 12 is: 1.306
 > Kabsch RMSD of heavy atoms in res. A[3..18],A[20..35],A[40..53],A[58..83],A[90..99],A[102..116],for model 13 is: 1.459
 > Kabsch RMSD of heavy atoms in res. A[3..18],A[20..35],A[40..53],A[58..83],A[90..99],A[102..116],for model 14 is: 1.535
 > Kabsch RMSD of heavy atoms in res. A[3..18],A[20..35],A[40..53],A[58..83],A[90..99],A[102..116],for model 15 is: 1.654
 > Kabsch RMSD of heavy atoms in res. A[3..18],A[20..35],A[40..53],A[58..83],A[90..99],A[102..116],for model 16 is: 1.381
 > Kabsch RMSD of heavy atoms in res. A[3..18],A[20..35],A[40..53],A[58..83],A[90..99],A[102..116],for model 17 is: 1.311
 > Kabsch RMSD of heavy atoms in res. A[3..18],A[20..35],A[40..53],A[58..83],A[90..99],A[102..116],for model 18 is: 1.354
 > Kabsch RMSD of heavy atoms in res. A[3..18],A[20..35],A[40..53],A[58..83],A[90..99],A[102..116],for model 19 is: 2.006
 > Kabsch RMSD of heavy atoms in res. A[3..18],A[20..35],A[40..53],A[58..83],A[90..99],A[102..116],for model 20 is: 1.745
 >
 > Kabsch RMSD statistics for 20 structures: 
 > Mean RMSD using as refer. str. `average' for res.[3..18],[20..35],[40..53],[58..83],[90..99],[102..116], is: 1.557 
 > Range of RMSD values to reference struct. is 1.296 to 2.006

Text report of backbone RMSD for entire protein

 > Kabsch RMSD of backb atoms in res. *[1..125],for model  1 is: 2.823
 > Kabsch RMSD of backb atoms in res. *[1..125],for model  2 is: 1.962
 > Kabsch RMSD of backb atoms in res. *[1..125],for model  3 is: 1.881
 > Kabsch RMSD of backb atoms in res. *[1..125],for model  4 is: 2.552
 > Kabsch RMSD of backb atoms in res. *[1..125],for model  5 is: 1.586
 > Kabsch RMSD of backb atoms in res. *[1..125],for model  6 is: 3.358
 > Kabsch RMSD of backb atoms in res. *[1..125],for model  7 is: 2.283
 > Kabsch RMSD of backb atoms in res. *[1..125],for model  8 is: 2.222
 > Kabsch RMSD of backb atoms in res. *[1..125],for model  9 is: 1.560
 > Kabsch RMSD of backb atoms in res. *[1..125],for model 10 is: 2.529
 > Kabsch RMSD of backb atoms in res. *[1..125],for model 11 is: 2.325
 > Kabsch RMSD of backb atoms in res. *[1..125],for model 12 is: 1.842
 > Kabsch RMSD of backb atoms in res. *[1..125],for model 13 is: 1.989
 > Kabsch RMSD of backb atoms in res. *[1..125],for model 14 is: 2.178
 > Kabsch RMSD of backb atoms in res. *[1..125],for model 15 is: 2.434
 > Kabsch RMSD of backb atoms in res. *[1..125],for model 16 is: 2.163
 > Kabsch RMSD of backb atoms in res. *[1..125],for model 17 is: 2.324
 > Kabsch RMSD of backb atoms in res. *[1..125],for model 18 is: 1.515 (*)
 > Kabsch RMSD of backb atoms in res. *[1..125],for model 19 is: 2.096
 > Kabsch RMSD of backb atoms in res. *[1..125],for model 20 is: 2.506
 >
 > Kabsch RMSD statistics for 20 structures: 
 > Mean RMSD using as refer. str. `average' for res.[1..125], is: 2.206 
 > Range of RMSD values to reference struct. is 1.515 to 3.358

Text report of heavy atom RMSD for entire protein

 > Kabsch RMSD of heavy atoms in res. *[1..125],for model  1 is: 3.475
 > Kabsch RMSD of heavy atoms in res. *[1..125],for model  2 is: 2.819
 > Kabsch RMSD of heavy atoms in res. *[1..125],for model  3 is: 2.799
 > Kabsch RMSD of heavy atoms in res. *[1..125],for model  4 is: 3.113
 > Kabsch RMSD of heavy atoms in res. *[1..125],for model  5 is: 2.217
 > Kabsch RMSD of heavy atoms in res. *[1..125],for model  6 is: 4.007
 > Kabsch RMSD of heavy atoms in res. *[1..125],for model  7 is: 2.842
 > Kabsch RMSD of heavy atoms in res. *[1..125],for model  8 is: 2.912
 > Kabsch RMSD of heavy atoms in res. *[1..125],for model  9 is: 2.330
 > Kabsch RMSD of heavy atoms in res. *[1..125],for model 10 is: 3.190
 > Kabsch RMSD of heavy atoms in res. *[1..125],for model 11 is: 2.947
 > Kabsch RMSD of heavy atoms in res. *[1..125],for model 12 is: 2.476
 > Kabsch RMSD of heavy atoms in res. *[1..125],for model 13 is: 2.651
 > Kabsch RMSD of heavy atoms in res. *[1..125],for model 14 is: 2.759
 > Kabsch RMSD of heavy atoms in res. *[1..125],for model 15 is: 3.129
 > Kabsch RMSD of heavy atoms in res. *[1..125],for model 16 is: 2.713
 > Kabsch RMSD of heavy atoms in res. *[1..125],for model 17 is: 2.916
 > Kabsch RMSD of heavy atoms in res. *[1..125],for model 18 is: 2.210 (*)
 > Kabsch RMSD of heavy atoms in res. *[1..125],for model 19 is: 2.761
 > Kabsch RMSD of heavy atoms in res. *[1..125],for model 20 is: 3.088
 >
 > Kabsch RMSD statistics for 20 structures: 
 > Mean RMSD using as refer. str. `average' for res.[1..125], is: 2.868 
 > Range of RMSD values to reference struct. is 2.210 to 4.007

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	2.2	1.1	1.1
All heavy atoms	2.9	1.6	1.6

Contact Map (constraints list and 3D Coordinates)

JPEG image of Contact Map for Constraints

PSR293_R3_em_bcr3.upl.jpg

JPEG image of Contact Map for Coordinates

PSR293_R3_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  >>>----------+
 |                                                                            |
 | PSR293_R3_em_bcr3_020.rin   0.0                              2040 residues |
 |                                                                            |
 | Ramachandran plot:   91.9% core    8.1% allow    0.0% gener    0.0% disall |
 |                                                                            |
+| All Ramachandrans:   12 labelled residues (out of2040)                     |
+| Chi1-chi2 plots:      7 labelled residues (out of1400)                     |

JPEG image for all model Ramachandran Plot

Residue Properties for all models

JPEG for all model Residue Properties - page $num_n

Model Secondary Structures from Procheck

JPEG for Model Secondary Structures - page $num_n

Ramachandran Plots for each residue

JPEG for residue Ramachandran Plots - page $num_n

Ramachandran analysis for each residue from Molprobity

Chi1-Chi2 Plots for each residue

JPEG for residue Chi1-Chi2 Plots - page $num_n

Procheck G-factors for phi-psi for each residue

JPEG image for residue phi-psi G-factors

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

#phipsi_gfactor
#Residue\Model	average
2	-0.58
3	0.39
4	0.71
5	0.88
6	1.16
7	0.92
8	1.17
9	0.93
10	0.66
11	0.32
12	-0.30
13	-0.42
14	-0.75
15	-0.49
16	-0.03
17	-0.49
18	-0.65
19	-0.61
20	-0.82
21	0.01
22	-1.02
23	-0.25
24	0.06
25	-1.12
26	0.11
27	0.76
28	-0.27
29	-0.77
30	0.33
31	-0.17
32	-0.90
33	-0.64
34	0.39
35	0.09
36	-0.93
40	-1.01
41	-1.26
42	-0.61
43	-0.19
44	-0.68
45	-0.43
46	-0.37
47	0.24
48	0.36
49	0.49
50	-0.11
51	-2.03
52	0.19
53	0.09
57	-0.53
58	-0.43
59	-0.05
60	-0.27
61	-0.07
62	-0.30
63	-0.42
64	-0.37
65	-0.42
66	-0.61
67	-0.59
68	0.51
69	0.67
70	-0.22
71	0.65
72	0.84
73	0.68
74	-0.02
75	0.53
76	0.33
77	-0.37
78	0.26
79	0.69
80	0.36
81	-0.02
82	0.30
83	-0.80
90	-1.20
91	-0.34
92	-0.58
93	0.22
94	0.29
95	-0.19
96	-0.32
97	0.10
98	-0.43
99	-0.37
101	-0.29
102	0.83
103	0.57
104	0.82
105	0.58
106	1.22
107	1.05
108	0.81
109	0.89
110	0.86
111	1.25
112	1.13
113	0.86
114	0.81
115	0.31
116	-0.99
#Reported_Model_Average	0.006
#Overall_Average_Reported	0.006

Procheck G-factors for all dihedral angles for each residue

JPEG image for residue all dihedral G-factors

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

#alldih_gfactor
#Residue\Model	average
2	0.05
3	0.28
4	0.67
5	0.87
6	0.89
7	0.91
8	1.15
9	0.31
10	0.66
11	0.62
12	0.45
13	-0.13
14	-0.20
15	-0.01
16	0.25
17	0.34
18	-0.65
19	-0.20
20	0.09
21	0.01
22	0.02
23	0.49
24	0.51
25	-0.12
26	0.11
27	0.82
28	-1.16
29	-0.77
30	0.55
31	0.15
32	-0.40
33	-0.21
34	0.39
35	0.48
36	-0.34
40	-0.32
41	-1.26
42	-0.23
43	-0.04
44	-0.52
45	0.00
46	-0.12
47	0.24
48	0.36
49	0.54
50	0.20
51	-0.97
52	0.19
53	0.34
57	0.26
58	0.21
59	-0.19
60	0.33
61	-0.23
62	-0.06
63	0.25
64	0.20
65	0.18
66	-0.38
67	0.12
68	0.51
69	0.96
70	0.33
71	0.58
72	0.84
73	0.56
74	0.37
75	0.59
76	0.80
77	0.13
78	0.26
79	0.69
80	0.53
81	0.12
82	0.30
83	-0.80
90	-0.08
91	-0.40
92	-0.32
93	0.47
94	0.47
95	0.14
96	0.02
97	0.42
98	-0.43
99	-0.37
101	-0.29
102	0.83
103	0.92
104	0.94
105	0.74
106	0.30
107	0.57
108	0.77
109	0.89
110	0.92
111	1.19
112	0.53
113	0.23
114	0.94
115	0.48
116	-0.29
#Reported_Model_Average	0.219
#Overall_Average_Reported	0.219

Output from Verify3D

Verify3D Score over a window of $winsize_s residues

JPEG image for Verify3D Score

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	19	20
2	0.51	0.51	0.51	0.51	0.51	0.41	0.51	0.41	0.41	0.51	0.51	0.51	0.41	0.51	0.51	0.51	0.41	0.41	0.51	0.51
3	1.10	1.10	1.10	1.10	1.10	0.56	0.56	1.10	0.56	1.10	1.10	0.56	1.10	1.10	0.56	1.10	1.10	0.56	0.56	0.56
4	0.62	0.29	0.62	0.62	0.62	0.62	0.62	0.62	0.29	0.29	0.29	0.62	0.29	0.29	0.29	0.29	0.62	0.62	0.62	0.62
5	0.62	0.62	0.62	-0.32	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62
6	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28
7	-0.02	-0.06	0.55	0.55	0.55	0.55	0.55	-0.02	0.55	0.55	0.55	-0.02	-0.06	0.55	-0.06	0.55	0.55	-0.06	0.55	0.55
8	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.44	0.29	0.29	0.29	0.29	0.29	0.29	0.29
9	0.50	0.86	0.86	0.86	0.86	0.50	0.50	0.86	0.86	0.86	0.86	0.50	0.86	0.86	0.86	0.86	0.86	0.50	0.86	0.86
10	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76
11	-0.32	-0.32	-0.32	0.62	-0.32	0.62	-0.32	0.62	-0.32	0.62	0.62	-0.32	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62
12	0.07	0.07	0.07	0.66	0.07	0.66	0.07	0.07	0.66	0.07	0.07	0.66	0.66	0.07	0.07	0.66	0.07	0.66	0.66	0.66
13	0.56	0.66	0.66	0.56	0.66	0.56	0.56	0.66	0.66	0.56	0.66	0.66	0.56	0.66	0.66	0.66	0.66	0.66	0.56	-0.94
14	0.86	0.27	0.27	0.86	0.86	0.86	0.27	0.50	0.27	0.27	0.86	0.86	0.86	0.27	0.27	0.86	0.86	0.27	0.27	0.27
15	0.23	0.23	0.23	0.23	0.23	0.51	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.51	0.23	0.23	0.23	0.51	0.23
16	0.08	0.55	0.08	0.08	0.55	0.55	0.08	0.08	0.55	0.55	0.08	0.55	0.08	0.08	0.55	0.08	0.55	0.55	0.08	0.55
17	0.47	0.47	0.47	-0.10	-0.10	0.47	0.47	-0.10	0.47	-0.10	0.47	-0.10	-0.10	-0.10	-0.10	0.47	0.47	0.47	-0.10	0.47
18	0.64	0.64	0.64	0.64	0.64	0.64	-0.07	0.64	0.64	-0.07	0.64	0.64	0.64	0.64	0.44	0.64	0.64	0.64	0.64	0.64
19	0.51	0.51	0.51	0.51	0.23	0.23	0.51	0.23	0.51	0.51	0.23	0.51	0.51	0.51	0.51	0.23	0.23	0.23	0.51	0.23
20	0.20	1.04	0.54	0.20	0.20	0.20	0.20	0.20	1.04	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20
21	0.44	0.25	0.44	0.44	0.44	0.44	0.44	0.64	0.25	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44
22	1.12	-0.42	-0.42	-0.42	1.12	1.12	1.12	-0.42	-2.06	1.12	1.12	1.12	1.12	1.12	1.62	1.12	-0.42	1.12	1.12	-0.42
23	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04
24	-0.10	0.47	0.47	-0.10	-0.10	-0.10	-0.10	-0.10	0.47	-0.10	-0.10	-0.10	-0.10	-0.10	-0.10	-0.10	-0.10	-0.10	-0.10	-0.10
25	0.71	-0.84	-1.29	-1.29	0.71	0.71	-1.29	0.71	-0.84	-1.29	-0.84	-1.29	-1.29	-0.84	-1.29	-0.84	-1.29	-1.29	0.71	-1.29
26	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44
27	0.51	0.51	0.51	0.51	0.23	0.23	0.23	0.51	0.51	0.51	0.51	0.51	0.23	0.51	0.23	0.51	0.51	0.23	0.23	0.51
28	0.52	1.25	1.25	1.14	0.52	1.14	0.52	1.14	1.14	0.52	0.52	1.14	0.52	0.52	0.52	1.14	1.14	0.52	0.52	1.14
29	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59
30	0.71	0.44	0.44	0.44	0.44	0.71	0.71	0.44	0.08	0.44	0.44	0.71	0.44	0.44	0.71	0.44	0.44	0.71	0.44	0.44
31	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	1.32	1.32	0.96	0.96	0.96	0.96	0.96
32	0.84	0.84	0.19	0.19	0.19	0.19	0.19	0.19	0.19	0.84	0.84	0.84	0.19	0.84	0.19	0.19	0.19	0.19	0.19	0.19
33	-0.05	-0.49	-0.05	0.80	-0.05	0.80	-0.05	-0.05	0.80	0.80	-0.05	0.80	0.80	-0.05	0.80	-0.05	0.80	-0.05	-0.05	-0.05
34	0.34	0.34	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	0.17	0.34	0.34
35	0.23	0.23	0.23	0.23	0.23	0.51	0.23	0.51	0.51	0.23	0.23	0.23	0.51	0.23	0.51	0.51	0.23	0.51	0.23	0.51
36	0.51	-0.26	-0.26	0.51	-0.26	-0.26	-0.26	0.51	-0.26	0.51	-0.26	-0.26	-0.26	-0.56	0.09	0.51	-0.26	-0.26	0.09	-0.26
40	1.09	1.09	1.30	-0.30	1.09	1.09	0.17	0.17	-0.30	1.09	-0.30	1.09	1.09	1.30	1.09	1.30	1.09	1.09	0.17	1.09
41	0.59	0.59	0.59	0.59	0.59	0.59	-0.52	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59
42	-0.81	0.14	0.36	0.14	-1.33	0.36	0.36	0.14	0.36	0.36	0.36	1.07	0.36	0.36	0.36	0.36	0.36	0.36	0.36	0.36
43	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07
44	0.49	-0.68	0.49	0.49	0.49	0.51	0.51	0.49	0.51	0.49	0.51	0.51	0.51	0.49	0.51	0.49	-0.68	0.51	0.51	0.49
45	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.76	-0.03	-0.03	-0.03
46	1.50	1.07	1.50	1.07	1.50	1.50	1.07	1.50	1.50	1.50	1.50	1.07	1.07	1.07	1.50	1.07	1.50	1.07	1.50	1.07
47	-0.65	-0.65	-0.65	-0.65	-0.65	-0.65	-0.65	-0.65	-0.65	-1.01	-0.65	-0.65	-0.65	-0.65	-0.65	-0.65	-0.65	-0.65	-0.65	-0.65
48	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	0.49	0.49
49	0.04	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	0.28	0.28	0.28
50	0.47	0.47	0.47	0.47	-0.72	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47
51	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	0.93	0.93
52	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	1.10	1.10
53	-0.94	-0.28	-0.28	-0.28	-0.28	-0.94	-0.28	0.81	-0.28	-0.94	-0.28	-0.28	-0.94	-0.94	-0.28	-0.28	-0.94	-0.94	-0.28	-0.94
57	0.47	-0.10	-0.10	-0.10	-0.10	-0.10	-0.10	-0.10	-0.10	0.47	-0.10	-0.10	0.47	-0.10	-0.10	-0.10	-0.10	-0.10	-0.10	-0.10
58	0.19	0.19	0.19	0.19	0.19	0.19	0.19	0.84	0.19	0.19	0.19	0.19	0.19	0.19	0.19	0.84	0.19	0.19	0.19	0.19
59	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.71	0.44	0.44	0.44	0.44	0.44	0.44	1.18
60	-0.61	-0.03	-0.61	-0.03	-0.61	-0.03	-0.03	-0.03	-0.03	-0.03	-0.61	-0.03	-0.03	-0.03	-0.61	-0.03	-0.03	-0.03	-0.03	-0.03
61	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18
62	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50
63	-0.61	-0.61	-2.08	-0.61	-0.61	-2.08	-2.08	-2.08	-2.08	-0.61	-2.08	-2.08	-2.08	-0.61	-1.80	-2.08	-2.08	-2.08	-2.08	-1.80
64	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07
65	0.35	0.55	0.55	0.35	-0.83	0.35	0.35	0.35	0.35	0.55	0.35	0.35	-0.83	0.55	-0.83	0.35	-0.83	0.35	0.35	0.35
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	1.00	1.00	1.00	1.00	0.66	1.00
67	-0.57	-0.57	-0.57	0.25	-0.57	-0.57	0.25	0.25	-0.57	0.25	-0.57	-0.57	-0.57	0.25	0.25	-0.57	0.25	-0.57	-0.57	0.25
68	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	0.05	-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
69	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.60
70	-0.46	-0.30	-0.30	-0.30	-0.30	-0.30	-0.46	-0.30	-0.46	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.46	-0.30	-0.46	-0.30
71	0.41	0.41	0.41	0.74	0.30	-0.62	0.30	0.30	-0.62	-0.29	-0.62	-0.62	-0.62	-0.29	-0.62	0.30	-0.29	-0.29	0.30	-0.62
72	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63
73	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16
74	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30
75	0.56	1.10	1.10	0.56	0.56	1.10	1.10	0.56	1.10	1.10	-0.51	-0.51	1.10	1.10	1.10	0.56	1.10	1.10	1.10	1.10
76	0.07	0.07	0.07	0.66	0.66	0.07	0.07	0.66	0.07	0.07	0.66	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.66
77	0.47	0.47	0.47	0.47	0.47	0.47	0.08	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	-0.72	0.47	0.47	-0.72	0.47
78	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.44	0.25	0.44	0.25	0.25	0.25	0.25	0.44	0.25
79	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	1.10	1.10
80	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50
81	1.09	1.09	1.30	-0.30	1.09	1.09	1.09	1.09	1.09	1.09	1.09	1.30	1.09	1.30	1.09	1.09	1.09	1.09	1.09	1.09
82	-0.65	-1.01	-0.65	-0.65	-0.65	-1.01	-1.01	-1.01	-1.01	-1.01	-0.65	-1.01	-1.01	-0.65	-1.01	-1.01	-1.01	-1.01	-1.01	-1.01
83	-0.25	-0.25	-0.25	-0.25	0.49	-0.25	0.49	0.49	-0.25	-0.25	0.49	-0.25	-0.25	-0.25	-0.25	0.49	0.49	0.49	0.49	0.49
90	0.20	0.20	0.20	0.20	1.04	-1.21	0.20	0.20	0.20	0.20	0.54	1.04	-1.21	0.20	1.04	0.20	-1.21	0.20	0.20	1.04
91	0.07	0.07	0.83	0.07	0.07	0.83	0.83	0.07	0.83	0.83	0.83	0.83	0.83	0.83	0.07	0.83	0.83	0.07	0.07	0.07
92	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.07	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50
93	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95
94	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18
95	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07
96	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	1.06	1.06
97	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51
98	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	1.10	1.10
99	0.64	0.64	0.44	0.25	0.64	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.64	0.44	0.44	0.64	0.44	0.44	0.64	0.44
101	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	1.10	1.10
102	0.76	0.44	0.76	-0.02	0.44	0.44	0.44	0.76	0.44	0.44	0.44	-0.02	-0.02	0.44	0.44	0.76	0.44	0.44	0.76	0.44
103	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07
104	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62
105	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11
106	0.82	0.82	0.82	0.82	0.82	0.82	0.82	0.82	0.82	0.82	0.82	0.82	0.82	0.82	0.82	0.82	0.82	0.82	0.82	0.61
107	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	-0.38	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16
108	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	0.71	1.30	1.30	0.71	1.30
109	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11
110	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62
111	0.29	0.29	0.44	0.29	0.29	0.29	0.44	0.29	-0.28	0.29	0.29	0.44	0.29	0.29	0.29	0.29	0.44	0.29	0.44	0.29
112	0.47	0.47	0.47	-0.38	0.47	-0.38	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47
113	0.87	0.87	-0.22	-0.22	-0.22	0.87	0.87	0.87	-0.22	0.87	-0.22	1.28	-0.22	0.87	0.87	1.28	0.87	0.87	-0.22	1.28
114	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.29	0.62	0.62	0.62	0.62	0.62	0.62	0.29	0.62	0.62	0.62	0.62	0.62
115	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.30	-0.46	0.16	0.16	0.16	0.16	-0.30	-0.46	-0.46	-0.30	-0.30	-0.46	0.16	0.16
116	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	0.08	0.55	0.55	0.55	0.55	0.55	0.55
#Reported_Model_Average	0.503	0.482	0.482	0.458	0.473	0.494	0.457	0.516	0.442	0.522	0.473	0.495	0.448	0.503	0.482	0.517	0.458	0.468	0.481	0.492
#Overall_Average_Reported	0.482

Output from ProsaII

ProsaII Score over a window of $winsize_s residues

JPEG image for ProsaII Score

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	19	20
2	0.51	0.51	0.51	0.51	0.51	0.41	0.51	0.41	0.41	0.51	0.51	0.51	0.41	0.51	0.51	0.51	0.41	0.41	0.51	0.51
3	1.10	1.10	1.10	1.10	1.10	0.56	0.56	1.10	0.56	1.10	1.10	0.56	1.10	1.10	0.56	1.10	1.10	0.56	0.56	0.56
4	0.62	0.29	0.62	0.62	0.62	0.62	0.62	0.62	0.29	0.29	0.29	0.62	0.29	0.29	0.29	0.29	0.62	0.62	0.62	0.62
5	0.62	0.62	0.62	-0.32	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62
6	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28
7	-0.02	-0.06	0.55	0.55	0.55	0.55	0.55	-0.02	0.55	0.55	0.55	-0.02	-0.06	0.55	-0.06	0.55	0.55	-0.06	0.55	0.55
8	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.44	0.29	0.29	0.29	0.29	0.29	0.29	0.29
9	0.50	0.86	0.86	0.86	0.86	0.50	0.50	0.86	0.86	0.86	0.86	0.50	0.86	0.86	0.86	0.86	0.86	0.50	0.86	0.86
10	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76
11	-0.32	-0.32	-0.32	0.62	-0.32	0.62	-0.32	0.62	-0.32	0.62	0.62	-0.32	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62
12	0.07	0.07	0.07	0.66	0.07	0.66	0.07	0.07	0.66	0.07	0.07	0.66	0.66	0.07	0.07	0.66	0.07	0.66	0.66	0.66
13	0.56	0.66	0.66	0.56	0.66	0.56	0.56	0.66	0.66	0.56	0.66	0.66	0.56	0.66	0.66	0.66	0.66	0.66	0.56	-0.94
14	0.86	0.27	0.27	0.86	0.86	0.86	0.27	0.50	0.27	0.27	0.86	0.86	0.86	0.27	0.27	0.86	0.86	0.27	0.27	0.27
15	0.23	0.23	0.23	0.23	0.23	0.51	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.23	0.51	0.23	0.23	0.23	0.51	0.23
16	0.08	0.55	0.08	0.08	0.55	0.55	0.08	0.08	0.55	0.55	0.08	0.55	0.08	0.08	0.55	0.08	0.55	0.55	0.08	0.55
17	0.47	0.47	0.47	-0.10	-0.10	0.47	0.47	-0.10	0.47	-0.10	0.47	-0.10	-0.10	-0.10	-0.10	0.47	0.47	0.47	-0.10	0.47
18	0.64	0.64	0.64	0.64	0.64	0.64	-0.07	0.64	0.64	-0.07	0.64	0.64	0.64	0.64	0.44	0.64	0.64	0.64	0.64	0.64
19	0.51	0.51	0.51	0.51	0.23	0.23	0.51	0.23	0.51	0.51	0.23	0.51	0.51	0.51	0.51	0.23	0.23	0.23	0.51	0.23
20	0.20	1.04	0.54	0.20	0.20	0.20	0.20	0.20	1.04	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20
21	0.44	0.25	0.44	0.44	0.44	0.44	0.44	0.64	0.25	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44
22	1.12	-0.42	-0.42	-0.42	1.12	1.12	1.12	-0.42	-2.06	1.12	1.12	1.12	1.12	1.12	1.62	1.12	-0.42	1.12	1.12	-0.42
23	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04
24	-0.10	0.47	0.47	-0.10	-0.10	-0.10	-0.10	-0.10	0.47	-0.10	-0.10	-0.10	-0.10	-0.10	-0.10	-0.10	-0.10	-0.10	-0.10	-0.10
25	0.71	-0.84	-1.29	-1.29	0.71	0.71	-1.29	0.71	-0.84	-1.29	-0.84	-1.29	-1.29	-0.84	-1.29	-0.84	-1.29	-1.29	0.71	-1.29
26	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44
27	0.51	0.51	0.51	0.51	0.23	0.23	0.23	0.51	0.51	0.51	0.51	0.51	0.23	0.51	0.23	0.51	0.51	0.23	0.23	0.51
28	0.52	1.25	1.25	1.14	0.52	1.14	0.52	1.14	1.14	0.52	0.52	1.14	0.52	0.52	0.52	1.14	1.14	0.52	0.52	1.14
29	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59
30	0.71	0.44	0.44	0.44	0.44	0.71	0.71	0.44	0.08	0.44	0.44	0.71	0.44	0.44	0.71	0.44	0.44	0.71	0.44	0.44
31	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	0.96	1.32	1.32	0.96	0.96	0.96	0.96	0.96
32	0.84	0.84	0.19	0.19	0.19	0.19	0.19	0.19	0.19	0.84	0.84	0.84	0.19	0.84	0.19	0.19	0.19	0.19	0.19	0.19
33	-0.05	-0.49	-0.05	0.80	-0.05	0.80	-0.05	-0.05	0.80	0.80	-0.05	0.80	0.80	-0.05	0.80	-0.05	0.80	-0.05	-0.05	-0.05
34	0.34	0.34	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	0.17	0.34	0.34
35	0.23	0.23	0.23	0.23	0.23	0.51	0.23	0.51	0.51	0.23	0.23	0.23	0.51	0.23	0.51	0.51	0.23	0.51	0.23	0.51
36	0.51	-0.26	-0.26	0.51	-0.26	-0.26	-0.26	0.51	-0.26	0.51	-0.26	-0.26	-0.26	-0.56	0.09	0.51	-0.26	-0.26	0.09	-0.26
40	1.09	1.09	1.30	-0.30	1.09	1.09	0.17	0.17	-0.30	1.09	-0.30	1.09	1.09	1.30	1.09	1.30	1.09	1.09	0.17	1.09
41	0.59	0.59	0.59	0.59	0.59	0.59	-0.52	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59	0.59
42	-0.81	0.14	0.36	0.14	-1.33	0.36	0.36	0.14	0.36	0.36	0.36	1.07	0.36	0.36	0.36	0.36	0.36	0.36	0.36	0.36
43	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07
44	0.49	-0.68	0.49	0.49	0.49	0.51	0.51	0.49	0.51	0.49	0.51	0.51	0.51	0.49	0.51	0.49	-0.68	0.51	0.51	0.49
45	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.76	-0.03	-0.03	-0.03
46	1.50	1.07	1.50	1.07	1.50	1.50	1.07	1.50	1.50	1.50	1.50	1.07	1.07	1.07	1.50	1.07	1.50	1.07	1.50	1.07
47	-0.65	-0.65	-0.65	-0.65	-0.65	-0.65	-0.65	-0.65	-0.65	-1.01	-0.65	-0.65	-0.65	-0.65	-0.65	-0.65	-0.65	-0.65	-0.65	-0.65
48	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	0.49	0.49
49	0.04	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	0.28	0.28	0.28
50	0.47	0.47	0.47	0.47	-0.72	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47
51	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	0.93	0.93
52	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	1.10	1.10
53	-0.94	-0.28	-0.28	-0.28	-0.28	-0.94	-0.28	0.81	-0.28	-0.94	-0.28	-0.28	-0.94	-0.94	-0.28	-0.28	-0.94	-0.94	-0.28	-0.94
57	0.47	-0.10	-0.10	-0.10	-0.10	-0.10	-0.10	-0.10	-0.10	0.47	-0.10	-0.10	0.47	-0.10	-0.10	-0.10	-0.10	-0.10	-0.10	-0.10
58	0.19	0.19	0.19	0.19	0.19	0.19	0.19	0.84	0.19	0.19	0.19	0.19	0.19	0.19	0.19	0.84	0.19	0.19	0.19	0.19
59	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.71	0.44	0.44	0.44	0.44	0.44	0.44	1.18
60	-0.61	-0.03	-0.61	-0.03	-0.61	-0.03	-0.03	-0.03	-0.03	-0.03	-0.61	-0.03	-0.03	-0.03	-0.61	-0.03	-0.03	-0.03	-0.03	-0.03
61	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18
62	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50
63	-0.61	-0.61	-2.08	-0.61	-0.61	-2.08	-2.08	-2.08	-2.08	-0.61	-2.08	-2.08	-2.08	-0.61	-1.80	-2.08	-2.08	-2.08	-2.08	-1.80
64	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07
65	0.35	0.55	0.55	0.35	-0.83	0.35	0.35	0.35	0.35	0.55	0.35	0.35	-0.83	0.55	-0.83	0.35	-0.83	0.35	0.35	0.35
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	1.00	1.00	1.00	1.00	0.66	1.00
67	-0.57	-0.57	-0.57	0.25	-0.57	-0.57	0.25	0.25	-0.57	0.25	-0.57	-0.57	-0.57	0.25	0.25	-0.57	0.25	-0.57	-0.57	0.25
68	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	0.05	-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
69	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.60
70	-0.46	-0.30	-0.30	-0.30	-0.30	-0.30	-0.46	-0.30	-0.46	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.46	-0.30	-0.46	-0.30
71	0.41	0.41	0.41	0.74	0.30	-0.62	0.30	0.30	-0.62	-0.29	-0.62	-0.62	-0.62	-0.29	-0.62	0.30	-0.29	-0.29	0.30	-0.62
72	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63
73	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16
74	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30
75	0.56	1.10	1.10	0.56	0.56	1.10	1.10	0.56	1.10	1.10	-0.51	-0.51	1.10	1.10	1.10	0.56	1.10	1.10	1.10	1.10
76	0.07	0.07	0.07	0.66	0.66	0.07	0.07	0.66	0.07	0.07	0.66	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.66
77	0.47	0.47	0.47	0.47	0.47	0.47	0.08	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	-0.72	0.47	0.47	-0.72	0.47
78	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.25	0.44	0.25	0.44	0.25	0.25	0.25	0.25	0.44	0.25
79	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	1.10	1.10
80	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50
81	1.09	1.09	1.30	-0.30	1.09	1.09	1.09	1.09	1.09	1.09	1.09	1.30	1.09	1.30	1.09	1.09	1.09	1.09	1.09	1.09
82	-0.65	-1.01	-0.65	-0.65	-0.65	-1.01	-1.01	-1.01	-1.01	-1.01	-0.65	-1.01	-1.01	-0.65	-1.01	-1.01	-1.01	-1.01	-1.01	-1.01
83	-0.25	-0.25	-0.25	-0.25	0.49	-0.25	0.49	0.49	-0.25	-0.25	0.49	-0.25	-0.25	-0.25	-0.25	0.49	0.49	0.49	0.49	0.49
90	0.20	0.20	0.20	0.20	1.04	-1.21	0.20	0.20	0.20	0.20	0.54	1.04	-1.21	0.20	1.04	0.20	-1.21	0.20	0.20	1.04
91	0.07	0.07	0.83	0.07	0.07	0.83	0.83	0.07	0.83	0.83	0.83	0.83	0.83	0.83	0.07	0.83	0.83	0.07	0.07	0.07
92	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.07	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50
93	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95	0.95
94	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18
95	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07	1.07
96	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	1.06	1.06
97	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51	0.51
98	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	1.10	1.10
99	0.64	0.64	0.44	0.25	0.64	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.64	0.44	0.44	0.64	0.44	0.44	0.64	0.44
101	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	1.10	1.10
102	0.76	0.44	0.76	-0.02	0.44	0.44	0.44	0.76	0.44	0.44	0.44	-0.02	-0.02	0.44	0.44	0.76	0.44	0.44	0.76	0.44
103	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07
104	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62
105	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11
106	0.82	0.82	0.82	0.82	0.82	0.82	0.82	0.82	0.82	0.82	0.82	0.82	0.82	0.82	0.82	0.82	0.82	0.82	0.82	0.61
107	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	-0.38	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16	0.16
108	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	0.71	1.30	1.30	0.71	1.30
109	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11
110	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62
111	0.29	0.29	0.44	0.29	0.29	0.29	0.44	0.29	-0.28	0.29	0.29	0.44	0.29	0.29	0.29	0.29	0.44	0.29	0.44	0.29
112	0.47	0.47	0.47	-0.38	0.47	-0.38	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47
113	0.87	0.87	-0.22	-0.22	-0.22	0.87	0.87	0.87	-0.22	0.87	-0.22	1.28	-0.22	0.87	0.87	1.28	0.87	0.87	-0.22	1.28
114	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.29	0.62	0.62	0.62	0.62	0.62	0.62	0.29	0.62	0.62	0.62	0.62	0.62
115	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.30	-0.46	0.16	0.16	0.16	0.16	-0.30	-0.46	-0.46	-0.30	-0.30	-0.46	0.16	0.16
116	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	0.08	0.55	0.55	0.55	0.55	0.55	0.55
#Reported_Model_Average	0.503	0.482	0.482	0.458	0.473	0.494	0.457	0.516	0.442	0.522	0.473	0.495	0.448	0.503	0.482	0.517	0.458	0.468	0.481	0.492
#Overall_Average_Reported	0.482

Output from MolProbity

VdW violations from MAGE

JPEG image for MAGE VdW violation

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	19	20
2.000	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0
3.000	0	0	0	0	0	0	1	0	0	0	0	0	1	0	1	1	0	0	0	0
4.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0
5.000	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0
6.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0
7.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	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	0	0
9.000	0	0	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	0	0
11.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
12.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	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	0	0
14.000	0	0	0	0	0	0	0	0	0	1	0	1	0	0	1	0	0	0	1	1
15.000	0	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0	1
16.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0
17.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
18.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
19.000	0	0	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	0	0
21.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
22.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
23.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
24.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
25.000	0	0	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	0	0
27.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
28.000	0	0	0	2	0	0	0	4	4	2	0	0	0	0	0	0	4	0	0	0
29.000	0	0	1	0	0	0	0	0	0	0	0	0	0	1	0	1	1	0	0	0
30.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
31.000	0	1	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0
32.000	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	1	1	0
33.000	0	0	0	0	0	0	0	0	0	0	1	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	0	0
35.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0
36.000	1	0	0	0	1	0	0	2	0	0	1	0	1	0	0	1	0	0	2	0
40.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0
41.000	0	1	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0
42.000	1	1	1	0	0	6	0	0	0	1	0	0	0	0	0	1	1	0	0	0
43.000	0	0	1	0	0	2	1	0	0	0	0	0	1	1	1	2	2	0	0	0
44.000	0	1	0	0	0	0	0	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	0	0
46.000	0	1	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0
47.000	0	1	0	1	1	1	1	0	0	1	0	0	1	0	1	0	0	0	0	0
48.000	0	1	1	2	1	0	1	1	1	1	1	1	0	1	1	1	1	1	1	2
49.000	0	0	1	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	0	0	0	0	0	0	0	0	0
51.000	0	0	0	2	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	1
52.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
53.000	0	1	3	3	1	0	1	1	1	0	2	2	0	1	1	1	0	2	1	1
57.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
58.000	0	1	0	1	1	1	1	0	0	0	0	0	1	0	1	0	0	0	0	0
59.000	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	1
60.000	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0
61.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
62.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0
63.000	1	1	1	0	0	0	0	0	0	1	0	0	0	0	0	2	1	0	1	0
64.000	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0
65.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
66.000	1	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0
67.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1
68.000	0	0	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	0	0
70.000	1	1	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0
71.000	0	0	0	1	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	0	0
73.000	0	0	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	1	1	0	1	1	1	0	2	0	2	0	0	1	0	0
75.000	0	0	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	0	0
77.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0
78.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
79.000	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0
80.000	0	0	0	0	0	1	1	0	1	1	1	0	2	0	2	1	0	1	1	0
81.000	0	0	0	0	0	0	0	0	0	1	0	0	0	0	2	0	0	0	0	0
82.000	1	0	0	0	0	0	0	0	0	1	0	0	0	0	2	0	0	0	0	0
83.000	1	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	0	0
90.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0
91.000	0	1	0	1	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	0	0	0	0	0	0	0	0	0	0	0	0
93.000	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0
94.000	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	0	0	1	0
95.000	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	1	0	1
96.000	0	2	0	0	0	0	0	0	1	0	0	0	0	0	1	2	0	1	0	0
97.000	0	0	0	0	0	0	0	0	0	0	0	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	0	0
99.000	0	0	0	1	0	0	1	0	1	0	0	0	0	0	0	0	0	0	0	0
101.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
102.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
103.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
104.000	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0
105.000	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0
106.000	1	0	1	0	0	1	0	0	0	0	0	0	1	0	0	1	0	0	0	0
107.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
108.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
109.000	1	0	1	0	0	1	0	0	0	0	0	0	1	0	0	1	0	0	0	0
110.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
111.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
112.000	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0
113.000	0	0	0	0	0	0	0	0	0	1	1	0	1	0	0	0	0	0	1	0
114.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
115.000	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	1	1
116.000	0	0	0	0	0	0	0	1	0	0	2	0	0	0	0	1	1	0	0	0
#Reported_Model_Average	0.118	0.157	0.108	0.157	0.069	0.157	0.108	0.088	0.147	0.206	0.098	0.049	0.157	0.039	0.196	0.186	0.127	0.088	0.186	0.098
#Overall_Average_Reported	0.127

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2060:A  42 LEU 1HB  :A  63 ASP 1HB  :   -0.548:        0

:  2060:A 106 HIS  HA  :A 109 ILE 2HD1 :   -0.480:        0

:  2060:A  39 TRP  O   :A  32 ARG  HA  :   -0.475:        0

:  2060:A  70 LEU 1HB  :A  66 VAL  CG1 :   -0.453:        0

:  2060:A  64 LEU 2HB  :A 112 SER 2HB  :   -0.418:        0

:  2060:A  37 ASP 1HB  :A  36 ASN  O   :   -0.418:        0

:  2060:A  82 PRO  O   :A  83 ALA  C   :   -0.408:        0
#sum2 ::3.40 clashscore : 3.40 clashscore B<40 
#summary::2060 atoms:2060 atoms B<40:230205 potential dots:14390.0 A^2:7 bumps:7 bumps B<40:757.6 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2060:A  47 PRO  HA  :A  58 ARG  HA  :   -0.493:        0

:  2060:A  42 LEU 1HB  :A  63 ASP 1HB  :   -0.491:        0

:  2060:A  41 ALA 3HB  :A  31 PHE 1HB  :   -0.456:        0

:  2060:A  70 LEU 1HB  :A  66 VAL  HB  :   -0.454:        0

:  2060:A   1 MET 2HB  :A  96 LEU 2HB  :   -0.444:        0
:  2060:A  96 LEU 2HD1 :A  60 ASP 2HB  :   -0.421:        0

:  2060:A  91 TRP 1HB  :A  87 ASN 2HB  :   -0.426:        0

:  2060:A  46 ILE 1HD1 :A  44 MET  SD  :   -0.409:        0

:  2060:A  89 GLU 2HG  :A  88 LYS 1HG  :   -0.403:        0

:  2060:A  48 ALA 1HB  :A  53 ILE  HB  :   -0.403:        0
#sum2 ::4.85 clashscore : 4.85 clashscore B<40 
#summary::2060 atoms:2060 atoms B<40:230292 potential dots:14390.0 A^2:10 bumps:10 bumps B<40:718 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2060:A  48 ALA 1HB  :A  53 ILE  HB  :   -0.465:        0
:  2060:A  53 ILE 2HG2 :A  55 GLY  H   :   -0.429:        0
:  2060:A  49 GLU  HA  :A  53 ILE  O   :   -0.405:        0

:  2060:A 106 HIS  HA  :A 109 ILE 2HD1 :   -0.439:        0

:  2060:A  29 ALA 3HB  :A  43 LEU 2HB  :   -0.428:        0

:  2060:A  42 LEU 1HB  :A  63 ASP 1HB  :   -0.402:        0
#sum2 ::2.91 clashscore : 2.91 clashscore B<40 
#summary::2060 atoms:2060 atoms B<40:230262 potential dots:14390.0 A^2:6 bumps:6 bumps B<40:794.9 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2060:A 100 LEU  C   :A  99 PRO  O   :   -0.581:        0

:  2060:A  47 PRO  HA  :A  58 ARG  HA  :   -0.484:        0

:  2060:A  48 ALA 1HB  :A  53 ILE  HB  :   -0.448:        0
:  2060:A  48 ALA  HA  :A  51 ILE 1HG1 :   -0.438:        0
:  2060:A  53 ILE 2HG2 :A  55 GLY  H   :   -0.423:        0
:  2060:A  53 ILE 1HG1 :A  51 ILE 2HG1 :   -0.405:        0

:  2060:A  89 GLU  HA  :A  71 VAL 1HG2 :   -0.447:        0
:  2060:A  91 TRP 1HB  :A  87 ASN 2HB  :   -0.447:        0
:  2060:A  87 ASN  O   :A  89 GLU  N   :   -0.446:        0
:  2060:A  87 ASN  O   :A  88 LYS  C   :   -0.413:        0

:  2060:A  41 ALA 3HB  :A  31 PHE 1HB  :   -0.428:        0

:  2060:A  28 TYR  N   :A  28 TYR  HD1 :   -0.428:        0
#sum2 ::5.83 clashscore : 5.83 clashscore B<40 
#summary::2060 atoms:2060 atoms B<40:230180 potential dots:14390.0 A^2:12 bumps:12 bumps B<40:751.1 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2060:A 118 LEU  O   :A 119 GLU  CB  :   -0.562:        0
:  2060:A 119 GLU 2HB  :A 118 LEU  O   :   -0.461:        0

:  2060:A  37 ASP 1HB  :A  36 ASN  O   :   -0.501:        0

:  2060:A  48 ALA 1HB  :A  53 ILE  HB  :   -0.477:        0

:  2060:A   2 ASN  H   :A   5 GLN 2HB  :   -0.466:        0

:  2060:A  87 ASN 1HB  :A  86 MET  O   :   -0.423:        0

:  2060:A  47 PRO  HA  :A  58 ARG  HA  :   -0.415:        0
#sum2 ::3.40 clashscore : 3.40 clashscore B<40 
#summary::2060 atoms:2060 atoms B<40:230401 potential dots:14400.0 A^2:7 bumps:7 bumps B<40:818.5 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2060:A  42 LEU  C   :A  42 LEU 2HD1 :   -0.660:        0
:  2060:A  42 LEU  C   :A  42 LEU  CD1 :   -0.462:        0
:  2060:A  42 LEU 2HD1 :A  42 LEU  O   :   -0.431:        0

:  2060:A  43 LEU 3HD2 :A  43 LEU  C   :   -0.514:        0

:  2060:A  70 LEU 1HB  :A  66 VAL  HB  :   -0.426:        0

:  2060:A  87 ASN 1HB  :A  86 MET  O   :   -0.420:        0

:  2060:A 106 HIS  HA  :A 109 ILE 2HD1 :   -0.416:        0

:  2060:A  47 PRO  HA  :A  58 ARG  HA  :   -0.414:        0

:  2060:A  74 LEU 2HB  :A  80 ILE 3HD1 :   -0.413:        0
#sum2 ::4.37 clashscore : 4.37 clashscore B<40 
#summary::2060 atoms:2060 atoms B<40:230591 potential dots:14410.0 A^2:9 bumps:9 bumps B<40:833.3 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2060:A  48 ALA 1HB  :A  53 ILE  HB  :   -0.455:        0

:  2060:A 123 HIS  O   :A 125 HIS  N   :   -0.445:        0

:  2060:A  43 LEU 1HD2 :A   3 ARG 1HB  :   -0.437:        0

:  2060:A  99 PRO 1HD  :A  79 GLY  CA  :   -0.430:        0
:  2060:A 100 LEU  HG  :A  79 GLY 2HA  :   -0.422:        0

:  2060:A  74 LEU  O   :A  80 ILE  HB  :   -0.410:        0

:  2060:A  47 PRO  HA  :A  58 ARG  HA  :   -0.400:        0
#sum2 ::3.40 clashscore : 3.40 clashscore B<40 
#summary::2060 atoms:2060 atoms B<40:230761 potential dots:14420.0 A^2:7 bumps:7 bumps B<40:746.3 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2060:A  84 TYR  O   :A  85 HIS  C   :   -0.546:        0
:  2060:A  86 MET  N   :A  84 TYR  O   :   -0.492:        0

:  2060:A  36 ASN  O   :A  38 LYS  N   :   -0.528:        0
:  2060:A 116 THR  HB  :A  36 ASN 2HB  :   -0.402:        0

:  2060:A  28 TYR  N   :A  28 TYR  HD1 :   -0.461:        0
:  2060:A  28 TYR  CD1 :A  28 TYR  N   :   -0.448:        0

:  2060:A  48 ALA 1HB  :A  53 ILE  HB  :   -0.444:        0
#sum2 ::3.40 clashscore : 3.40 clashscore B<40 
#summary::2060 atoms:2060 atoms B<40:230480 potential dots:14400.0 A^2:7 bumps:7 bumps B<40:821.8 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2060:A 100 LEU  C   :A  99 PRO  O   :   -0.593:        0
:  2060:A 100 LEU  HG  :A 104 GLU 1HB  :   -0.422:        0

:  2060:A  28 TYR  N   :A  28 TYR  CD1 :   -0.451:        0
:  2060:A  28 TYR  HD1 :A  28 TYR  N   :   -0.409:        0

:  2060:A  48 ALA 1HB  :A  53 ILE  HB  :   -0.444:        0

:  2060:A  96 LEU 2HB  :A   1 MET  O   :   -0.424:        0

:  2060:A  41 ALA 3HB  :A  31 PHE 1HB  :   -0.423:        0

:  2060:A  94 VAL 1HG1 :A 105 ILE 1HG1 :   -0.415:        0

:  2060:A  74 LEU 2HB  :A  80 ILE 3HD1 :   -0.413:        0
#sum2 ::4.37 clashscore : 4.37 clashscore B<40 
#summary::2060 atoms:2060 atoms B<40:230397 potential dots:14400.0 A^2:9 bumps:9 bumps B<40:785.5 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2060:A  39 TRP  CG  :A  39 TRP  O   :   -0.532:        0
:  2060:A  39 TRP  O   :A  32 ARG  HA  :   -0.449:        0

:  2060:A  42 LEU 1HB  :A  63 ASP 1HB  :   -0.509:        0

:  2060:A  87 ASN 1HB  :A  86 MET  O   :   -0.498:        0
:  2060:A  88 LYS 1HB  :A  87 ASN  O   :   -0.471:        0
:  2060:A  88 LYS  HA  :A  83 ALA 3HB  :   -0.416:        0

:  2060:A  64 LEU 2HB  :A 112 SER 2HB  :   -0.483:        0

:  2060:A  46 ILE  HB  :A  47 PRO 1HD  :   -0.479:        0

:  2060:A  48 ALA  HA  :A  51 ILE 1HG1 :   -0.445:        0

:  2060:A  82 PRO 1HD  :A  81 TYR 2HB  :   -0.444:        0

:  2060:A 115 LEU 3HD1 :A 115 LEU  HA  :   -0.425:        0

:  2060:A  14 TYR  O   :A  15 ASP 1HB  :   -0.414:        0

:  2060:A  28 TYR  N   :A  28 TYR  HD1 :   -0.412:        0

:  2060:A 113 PHE  O   :A 117 ARG  CA  :   -0.408:        0

:  2060:A  74 LEU 2HB  :A  80 ILE 3HD1 :   -0.400:        0
#sum2 ::7.28 clashscore : 7.28 clashscore B<40 
#summary::2060 atoms:2060 atoms B<40:230380 potential dots:14400.0 A^2:15 bumps:15 bumps B<40:754.8 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2060:A  48 ALA 1HB  :A  53 ILE  HB  :   -0.499:        0
:  2060:A  53 ILE 2HG2 :A  55 GLY  H   :   -0.437:        0

:  2060:A  85 HIS 2HB  :A  84 TYR  O   :   -0.475:        0
:  2060:A  84 TYR  O   :A  85 HIS  CB  :   -0.410:        0

:  2060:A  74 LEU 2HB  :A  80 ILE 3HD1 :   -0.472:        0

:  2060:A  36 ASN 1HB  :A  33 HIS 1HB  :   -0.454:        0

:  2060:A  39 TRP  N   :A  39 TRP  CD1 :   -0.426:        0
:  2060:A  39 TRP 1HB  :A 116 THR 1HG2 :   -0.404:        0
:  2060:A 116 THR  OG1 :A 113 PHE  HA  :   -0.401:        0
#sum2 ::4.37 clashscore : 4.37 clashscore B<40 
#summary::2060 atoms:2060 atoms B<40:230420 potential dots:14400.0 A^2:9 bumps:9 bumps B<40:776.5 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2060:A  48 ALA 1HB  :A  53 ILE  HB  :   -0.501:        0
:  2060:A  53 ILE 2HG2 :A  55 GLY  H   :   -0.446:        0

:  2060:A 119 GLU 1HB  :A 118 LEU  O   :   -0.455:        0

:  2060:A  14 TYR  O   :A  15 ASP  C   :   -0.449:        0
#sum2 ::1.94 clashscore : 1.94 clashscore B<40 
#summary::2060 atoms:2060 atoms B<40:230215 potential dots:14390.0 A^2:4 bumps:4 bumps B<40:796.5 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2060:A 118 LEU 3HD1 :A  36 ASN 1HB  :   -0.524:        0

:  2060:A 106 HIS  HA  :A 109 ILE 2HD1 :   -0.420:        0

:  2060:A 117 ARG  N   :A 113 PHE  O   :   -0.418:        0

:  2060:A  59 VAL  HB  :A  95 LEU 1HD1 :   -0.414:        0

:  2060:A  87 ASN 1HB  :A  86 MET  O   :   -0.410:        0

:  2060:A  74 LEU 2HB  :A  80 ILE 3HD1 :   -0.408:        0

:  2060:A  47 PRO  HA  :A  58 ARG  HA  :   -0.408:        0

:  2060:A  74 LEU  O   :A  80 ILE  HB  :   -0.406:        0

:  2060:A  93 THR  OG1 :A  83 ALA  HA  :   -0.406:        0

:  2060:A  43 LEU 1HD2 :A   3 ARG 1HB  :   -0.402:        0
#sum2 ::4.85 clashscore : 4.85 clashscore B<40 
#summary::2060 atoms:2060 atoms B<40:230377 potential dots:14400.0 A^2:10 bumps:10 bumps B<40:773.2 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2060:A  29 ALA 3HB  :A  43 LEU 2HB  :   -0.488:        0

:  2060:A  37 ASP  O   :A  38 LYS 1HB  :   -0.478:        0

:  2060:A  48 ALA 1HB  :A  53 ILE  HB  :   -0.406:        0
#sum2 ::1.46 clashscore : 1.46 clashscore B<40 
#summary::2060 atoms:2060 atoms B<40:230304 potential dots:14390.0 A^2:3 bumps:3 bumps B<40:804.1 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2060:A  48 ALA 1HB  :A  53 ILE  HB  :   -0.498:        0

:  2060:A  16 THR 3HG2 :A  14 TYR 1HB  :   -0.473:        0

:  2060:A  47 PRO  HA  :A  58 ARG  HA  :   -0.457:        0

:  2060:A  74 LEU 2HB  :A  80 ILE 3HD1 :   -0.447:        0
:  2060:A  74 LEU  O   :A  80 ILE  HB  :   -0.432:        0

:  2060:A  96 LEU 1HD1 :A  62 ILE 3HG2 :   -0.421:        0

:  2060:A   4 GLN  HA  :A   7 ILE 2HD1 :   -0.418:        0

:  2060:A  82 PRO 1HD  :A  81 TYR 2HB  :   -0.411:        0

:  2060:A  43 LEU 1HD1 :A   3 ARG  HA  :   -0.411:        0

:  2060:A  82 PRO  CD  :A  81 TYR 2HB  :   -0.407:        0

:  2060:A 119 GLU  O   :A 121 HIS  N   :   -0.407:        0
#sum2 ::5.34 clashscore : 5.34 clashscore B<40 
#summary::2060 atoms:2060 atoms B<40:230417 potential dots:14400.0 A^2:11 bumps:11 bumps B<40:777.8 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2060:A  37 ASP 1HB  :A  36 ASN  O   :   -0.616:        0

:  2060:A  88 LYS 1HB  :A  87 ASN  O   :   -0.552:        0
:  2060:A  87 ASN  O   :A  88 LYS  CB  :   -0.453:        0
:  2060:A  87 ASN 1HB  :A  86 MET  O   :   -0.439:        0

:  2060:A  48 ALA 1HB  :A  53 ILE  HB  :   -0.541:        0

:  2060:A  63 ASP 2HB  :A  40 TYR  CE2 :   -0.448:        0
:  2060:A  42 LEU 1HB  :A  63 ASP 1HB  :   -0.413:        0

:  2060:A 106 HIS  HA  :A 109 ILE 2HD1 :   -0.442:        0

:  2060:A 116 THR  O   :A 117 ARG  C   :   -0.423:        0

:  2060:A  29 ALA 3HB  :A  43 LEU 2HB  :   -0.413:        0
:  2060:A  43 LEU 1HD1 :A   3 ARG 1HB  :   -0.404:        0

:  2060:A  96 LEU 2HD1 :A  60 ASP 2HB  :   -0.408:        0
:  2060:A   1 MET  SD  :A  96 LEU 2HD2 :   -0.404:        0

:  2060:A  80 ILE 1HG1 :A  94 VAL 3HG1 :   -0.404:        0
#sum2 ::6.80 clashscore : 6.80 clashscore B<40 
#summary::2060 atoms:2060 atoms B<40:230431 potential dots:14400.0 A^2:14 bumps:14 bumps B<40:820.8 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2060:A  39 TRP  O   :A  39 TRP  CE3 :   -0.571:        0
:  2060:A  39 TRP  C   :A  38 LYS  O   :   -0.533:        0
:  2060:A  38 LYS 2HB  :A 116 THR  HB  :   -0.471:        0

:  2060:A  42 LEU 1HB  :A  63 ASP 1HB  :   -0.560:        0

:  2060:A  29 ALA 3HB  :A  43 LEU 2HB  :   -0.448:        0
:  2060:A  43 LEU 1HB  :A   6 PHE  CE2 :   -0.410:        0

:  2060:A  48 ALA  HA  :A  51 ILE 1HG1 :   -0.446:        0

:  2060:A  87 ASN 1HB  :A  86 MET  O   :   -0.438:        0

:  2060:A  28 TYR  N   :A  28 TYR  HD1 :   -0.433:        0
:  2060:A  28 TYR  CD1 :A  28 TYR  N   :   -0.421:        0

:  2060:A 125 HIS  O2  :A 125 HIS  CG  :   -0.408:        0
#sum2 ::5.34 clashscore : 5.34 clashscore B<40 
#summary::2060 atoms:2060 atoms B<40:230045 potential dots:14380.0 A^2:11 bumps:11 bumps B<40:821.9 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2060:A  39 TRP  O   :A  32 ARG  HA  :   -0.487:        0
:  2060:A  39 TRP  CD1 :A  39 TRP  O   :   -0.476:        0

:  2060:A  48 ALA 1HB  :A  53 ILE  HB  :   -0.468:        0
:  2060:A  53 ILE 2HG2 :A  55 GLY  H   :   -0.413:        0

:  2060:A   1 MET 1HB  :A  96 LEU  HG  :   -0.423:        0

:  2060:A  59 VAL  HB  :A  95 LEU 1HD1 :   -0.419:        0

:  2060:A  74 LEU 2HB  :A  80 ILE 3HD1 :   -0.410:        0
#sum2 ::3.40 clashscore : 3.40 clashscore B<40 
#summary::2060 atoms:2060 atoms B<40:230440 potential dots:14400.0 A^2:7 bumps:7 bumps B<40:803.8 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2060:A  37 ASP  O   :A  38 LYS 1HB  :   -0.521:        0
:  2060:A  36 ASN  O   :A  37 ASP  CB  :   -0.481:        0
:  2060:A  37 ASP  O   :A  38 LYS  CB  :   -0.416:        0
:  2060:A  36 ASN  O   :A  37 ASP 2HB  :   -0.410:        0

:  2060:A 118 LEU 2HD2 :A  35 ASP 1HB  :   -0.494:        0

:  2060:A  63 ASP 2HB  :A  40 TYR  CE2 :   -0.487:        0

:  2060:A  90 HIS 2HB  :A  87 ASN 2HB  :   -0.476:        0

:  2060:A 125 HIS  O2  :A 125 HIS  CG  :   -0.461:        0

:  2060:A  48 ALA 1HB  :A  53 ILE  HB  :   -0.448:        0

:  2060:A   2 ASN 2HB  :A   5 GLN 1HG  :   -0.439:        0

:  2060:A 117 ARG  HE  :A 120 HIS  HA  :   -0.436:        0

:  2060:A 113 PHE  CD1 :A  14 TYR  HA  :   -0.431:        0

:  2060:A  32 ARG  H   :A  16 THR 1HG2 :   -0.426:        0

:  2060:A 115 LEU 2HD1 :A  66 VAL  HA  :   -0.410:        0

:  2060:A  80 ILE 1HG1 :A  94 VAL 3HG1 :   -0.409:        0

:  2060:A 100 LEU 1HD2 :A  77 LYS 2HB  :   -0.404:        0
#sum2 ::7.77 clashscore : 7.77 clashscore B<40 
#summary::2060 atoms:2060 atoms B<40:230350 potential dots:14400.0 A^2:16 bumps:16 bumps B<40:760 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2060:A  48 ALA 1HB  :A  53 ILE  HB  :   -0.434:        0
:  2060:A  48 ALA  HA  :A  51 ILE 1HG1 :   -0.430:        0

:  2060:A 115 LEU 2HD2 :A  67 GLN 2HG  :   -0.414:        0

:  2060:A  14 TYR  O   :A  15 ASP  C   :   -0.405:        0

:  2060:A  59 VAL  HB  :A  95 LEU 1HD1 :   -0.404:        0
#sum2 ::2.43 clashscore : 2.43 clashscore B<40 
#summary::2060 atoms:2060 atoms B<40:230514 potential dots:14410.0 A^2:5 bumps:5 bumps B<40:770.5 score

Output from PDB validation software

Summary from PDB validation

                                                       May. 10, 15:15:44 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   0.018 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    1.0 degrees.

The following table contains a list of the covalent bond angles
greater than 6.0*RMSD.


 Deviation  Residue  Chain  Sequence  Model  AT1  -  AT2  -  AT3    Bond    Dictionary
             Name     ID     Number                                 Angle      Value
--------------------------------------------------------------------------------
    -6.4    LEU       A       70         2   CA   -  CB   -  CG     109.9     116.3
    -6.7    LEU       A       70        17   CA   -  CB   -  CG     109.6     116.3
    -6.5    LEU       A      108        17   CA   -  CB   -  CG     109.8     116.3


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. W�thrich,
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       ASN        2      1HD2
  1    A       ASN        2      2HD2
  1    A       GLN        4      1HE2
  1    A       GLN        4      2HE2
  1    A       GLN        5      1HE2
  1    A       GLN        5      2HE2
  1    A       GLN       11      1HE2
  1    A       GLN       11      2HE2
  1    A       ASN       36      1HD2
  1    A       ASN       36      2HD2
  1    A       ASN       54      1HD2
  1    A       ASN       54      2HD2
  1    A       GLN       67      1HE2
  1    A       GLN       67      2HE2
  1    A       ASN       87      1HD2
  1    A       ASN       87      2HD2
  1    A       ASN       97      1HD2
  1    A       ASN       97      2HD2
  1    A       GLN      114      1HE2
  1    A       GLN      114      2HE2
  2    A       ASN        2      1HD2
  2    A       ASN        2      2HD2
  2    A       GLN        4      1HE2
  2    A       GLN        4      2HE2
  2    A       GLN        5      1HE2
  2    A       GLN        5      2HE2
  2    A       GLN       11      1HE2
  2    A       GLN       11      2HE2
  2    A       ASN       36      1HD2
  2    A       ASN       36      2HD2
  2    A       ASN       54      1HD2
  2    A       ASN       54      2HD2
  2    A       GLN       67      1HE2
  2    A       GLN       67      2HE2
  2    A       ASN       87      1HD2
  2    A       ASN       87      2HD2
  2    A       ASN       97      1HD2
  2    A       ASN       97      2HD2
  2    A       GLN      114      1HE2
  2    A       GLN      114      2HE2
  3    A       ASN        2      1HD2
  3    A       ASN        2      2HD2
  3    A       GLN        4      1HE2
  3    A       GLN        4      2HE2
  3    A       GLN        5      1HE2
  3    A       GLN        5      2HE2
  3    A       GLN       11      1HE2
  3    A       GLN       11      2HE2
  3    A       ASN       36      1HD2
  3    A       ASN       36      2HD2
  3    A       ASN       54      1HD2
  3    A       ASN       54      2HD2
  3    A       GLN       67      1HE2
  3    A       GLN       67      2HE2
  3    A       ASN       87      1HD2
  3    A       ASN       87      2HD2
  3    A       ASN       97      1HD2
  3    A       ASN       97      2HD2
  3    A       GLN      114      1HE2
  3    A       GLN      114      2HE2
  4    A       ASN        2      1HD2
  4    A       ASN        2      2HD2
  4    A       GLN        4      1HE2
  4    A       GLN        4      2HE2
  4    A       GLN        5      1HE2
  4    A       GLN        5      2HE2
  4    A       GLN       11      1HE2
  4    A       GLN       11      2HE2
  4    A       ASN       36      1HD2
  4    A       ASN       36      2HD2
  4    A       ASN       54      1HD2
  4    A       ASN       54      2HD2
  4    A       GLN       67      1HE2
  4    A       GLN       67      2HE2
  4    A       ASN       87      1HD2
  4    A       ASN       87      2HD2
  4    A       ASN       97      1HD2
  4    A       ASN       97      2HD2
  4    A       GLN      114      1HE2
  4    A       GLN      114      2HE2
  5    A       ASN        2      1HD2
  5    A       ASN        2      2HD2
  5    A       GLN        4      1HE2
  5    A       GLN        4      2HE2
  5    A       GLN        5      1HE2
  5    A       GLN        5      2HE2
  5    A       GLN       11      1HE2
  5    A       GLN       11      2HE2
  5    A       ASN       36      1HD2
  5    A       ASN       36      2HD2
  5    A       ASN       54      1HD2
  5    A       ASN       54      2HD2
  5    A       GLN       67      1HE2
  5    A       GLN       67      2HE2
  5    A       ASN       87      1HD2
  5    A       ASN       87      2HD2
  5    A       ASN       97      1HD2
  5    A       ASN       97      2HD2
  5    A       GLN      114      1HE2
  5    A       GLN      114      2HE2
  6    A       ASN        2      1HD2
  6    A       ASN        2      2HD2
  6    A       GLN        4      1HE2
  6    A       GLN        4      2HE2
  6    A       GLN        5      1HE2
  6    A       GLN        5      2HE2
  6    A       GLN       11      1HE2
  6    A       GLN       11      2HE2
  6    A       ASN       36      1HD2
  6    A       ASN       36      2HD2
  6    A       ASN       54      1HD2
  6    A       ASN       54      2HD2
  6    A       GLN       67      1HE2
  6    A       GLN       67      2HE2
  6    A       ASN       87      1HD2
  6    A       ASN       87      2HD2
  6    A       ASN       97      1HD2
  6    A       ASN       97      2HD2
  6    A       GLN      114      1HE2
  6    A       GLN      114      2HE2
  7    A       ASN        2      1HD2
  7    A       ASN        2      2HD2
  7    A       GLN        4      1HE2
  7    A       GLN        4      2HE2
  7    A       GLN        5      1HE2
  7    A       GLN        5      2HE2
  7    A       GLN       11      1HE2
  7    A       GLN       11      2HE2
  7    A       ASN       36      1HD2
  7    A       ASN       36      2HD2
  7    A       ASN       54      1HD2
  7    A       ASN       54      2HD2
  7    A       GLN       67      1HE2
  7    A       GLN       67      2HE2
  7    A       ASN       87      1HD2
  7    A       ASN       87      2HD2
  7    A       ASN       97      1HD2
  7    A       ASN       97      2HD2
  7    A       GLN      114      1HE2
  7    A       GLN      114      2HE2
  8    A       ASN        2      1HD2
  8    A       ASN        2      2HD2
  8    A       GLN        4      1HE2
  8    A       GLN        4      2HE2
  8    A       GLN        5      1HE2
  8    A       GLN        5      2HE2
  8    A       GLN       11      1HE2
  8    A       GLN       11      2HE2
  8    A       ASN       36      1HD2
  8    A       ASN       36      2HD2
  8    A       ASN       54      1HD2
  8    A       ASN       54      2HD2
  8    A       GLN       67      1HE2
  8    A       GLN       67      2HE2
  8    A       ASN       87      1HD2
  8    A       ASN       87      2HD2
  8    A       ASN       97      1HD2
  8    A       ASN       97      2HD2
  8    A       GLN      114      1HE2
  8    A       GLN      114      2HE2
  9    A       ASN        2      1HD2
  9    A       ASN        2      2HD2
  9    A       GLN        4      1HE2
  9    A       GLN        4      2HE2
  9    A       GLN        5      1HE2
  9    A       GLN        5      2HE2
  9    A       GLN       11      1HE2
  9    A       GLN       11      2HE2
  9    A       ASN       36      1HD2
  9    A       ASN       36      2HD2
  9    A       ASN       54      1HD2
  9    A       ASN       54      2HD2
  9    A       GLN       67      1HE2
  9    A       GLN       67      2HE2
  9    A       ASN       87      1HD2
  9    A       ASN       87      2HD2
  9    A       ASN       97      1HD2
  9    A       ASN       97      2HD2
  9    A       GLN      114      1HE2
  9    A       GLN      114      2HE2
 10    A       ASN        2      1HD2
 10    A       ASN        2      2HD2
 10    A       GLN        4      1HE2
 10    A       GLN        4      2HE2
 10    A       GLN        5      1HE2
 10    A       GLN        5      2HE2
 10    A       GLN       11      1HE2
 10    A       GLN       11      2HE2
 10    A       ASN       36      1HD2
 10    A       ASN       36      2HD2
 10    A       ASN       54      1HD2
 10    A       ASN       54      2HD2
 10    A       GLN       67      1HE2
 10    A       GLN       67      2HE2
 10    A       ASN       87      1HD2
 10    A       ASN       87      2HD2
 10    A       ASN       97      1HD2
 10    A       ASN       97      2HD2
 10    A       GLN      114      1HE2
 10    A       GLN      114      2HE2
 11    A       ASN        2      1HD2
 11    A       ASN        2      2HD2
 11    A       GLN        4      1HE2
 11    A       GLN        4      2HE2
 11    A       GLN        5      1HE2
 11    A       GLN        5      2HE2
 11    A       GLN       11      1HE2
 11    A       GLN       11      2HE2
 11    A       ASN       36      1HD2
 11    A       ASN       36      2HD2
 11    A       ASN       54      1HD2
 11    A       ASN       54      2HD2
 11    A       GLN       67      1HE2
 11    A       GLN       67      2HE2
 11    A       ASN       87      1HD2
 11    A       ASN       87      2HD2
 11    A       ASN       97      1HD2
 11    A       ASN       97      2HD2
 11    A       GLN      114      1HE2
 11    A       GLN      114      2HE2
 12    A       ASN        2      1HD2
 12    A       ASN        2      2HD2
 12    A       GLN        4      1HE2
 12    A       GLN        4      2HE2
 12    A       GLN        5      1HE2
 12    A       GLN        5      2HE2
 12    A       GLN       11      1HE2
 12    A       GLN       11      2HE2
 12    A       ASN       36      1HD2
 12    A       ASN       36      2HD2
 12    A       ASN       54      1HD2
 12    A       ASN       54      2HD2
 12    A       GLN       67      1HE2
 12    A       GLN       67      2HE2
 12    A       ASN       87      1HD2
 12    A       ASN       87      2HD2
 12    A       ASN       97      1HD2
 12    A       ASN       97      2HD2
 12    A       GLN      114      1HE2
 12    A       GLN      114      2HE2
 13    A       ASN        2      1HD2
 13    A       ASN        2      2HD2
 13    A       GLN        4      1HE2
 13    A       GLN        4      2HE2
 13    A       GLN        5      1HE2
 13    A       GLN        5      2HE2
 13    A       GLN       11      1HE2
 13    A       GLN       11      2HE2
 13    A       ASN       36      1HD2
 13    A       ASN       36      2HD2
 13    A       ASN       54      1HD2
 13    A       ASN       54      2HD2
 13    A       GLN       67      1HE2
 13    A       GLN       67      2HE2
 13    A       ASN       87      1HD2
 13    A       ASN       87      2HD2
 13    A       ASN       97      1HD2
 13    A       ASN       97      2HD2
 13    A       GLN      114      1HE2
 13    A       GLN      114      2HE2
 14    A       ASN        2      1HD2
 14    A       ASN        2      2HD2
 14    A       GLN        4      1HE2
 14    A       GLN        4      2HE2
 14    A       GLN        5      1HE2
 14    A       GLN        5      2HE2
 14    A       GLN       11      1HE2
 14    A       GLN       11      2HE2
 14    A       ASN       36      1HD2
 14    A       ASN       36      2HD2
 14    A       ASN       54      1HD2
 14    A       ASN       54      2HD2
 14    A       GLN       67      1HE2
 14    A       GLN       67      2HE2
 14    A       ASN       87      1HD2
 14    A       ASN       87      2HD2
 14    A       ASN       97      1HD2
 14    A       ASN       97      2HD2
 14    A       GLN      114      1HE2
 14    A       GLN      114      2HE2
 15    A       ASN        2      1HD2
 15    A       ASN        2      2HD2
 15    A       GLN        4      1HE2
 15    A       GLN        4      2HE2
 15    A       GLN        5      1HE2
 15    A       GLN        5      2HE2
 15    A       GLN       11      1HE2
 15    A       GLN       11      2HE2
 15    A       ASN       36      1HD2
 15    A       ASN       36      2HD2
 15    A       ASN       54      1HD2
 15    A       ASN       54      2HD2
 15    A       GLN       67      1HE2
 15    A       GLN       67      2HE2
 15    A       ASN       87      1HD2
 15    A       ASN       87      2HD2
 15    A       ASN       97      1HD2
 15    A       ASN       97      2HD2
 15    A       GLN      114      1HE2
 15    A       GLN      114      2HE2
 16    A       ASN        2      1HD2
 16    A       ASN        2      2HD2
 16    A       GLN        4      1HE2
 16    A       GLN        4      2HE2
 16    A       GLN        5      1HE2
 16    A       GLN        5      2HE2
 16    A       GLN       11      1HE2
 16    A       GLN       11      2HE2
 16    A       ASN       36      1HD2
 16    A       ASN       36      2HD2
 16    A       ASN       54      1HD2
 16    A       ASN       54      2HD2
 16    A       GLN       67      1HE2
 16    A       GLN       67      2HE2
 16    A       ASN       87      1HD2
 16    A       ASN       87      2HD2
 16    A       ASN       97      1HD2
 16    A       ASN       97      2HD2
 16    A       GLN      114      1HE2
 16    A       GLN      114      2HE2
 17    A       ASN        2      1HD2
 17    A       ASN        2      2HD2
 17    A       GLN        4      1HE2
 17    A       GLN        4      2HE2
 17    A       GLN        5      1HE2
 17    A       GLN        5      2HE2
 17    A       GLN       11      1HE2
 17    A       GLN       11      2HE2
 17    A       ASN       36      1HD2
 17    A       ASN       36      2HD2
 17    A       ASN       54      1HD2
 17    A       ASN       54      2HD2
 17    A       GLN       67      1HE2
 17    A       GLN       67      2HE2
 17    A       ASN       87      1HD2
 17    A       ASN       87      2HD2
 17    A       ASN       97      1HD2
 17    A       ASN       97      2HD2
 17    A       GLN      114      1HE2
 17    A       GLN      114      2HE2
 18    A       ASN        2      1HD2
 18    A       ASN        2      2HD2
 18    A       GLN        4      1HE2
 18    A       GLN        4      2HE2
 18    A       GLN        5      1HE2
 18    A       GLN        5      2HE2
 18    A       GLN       11      1HE2
 18    A       GLN       11      2HE2
 18    A       ASN       36      1HD2
 18    A       ASN       36      2HD2
 18    A       ASN       54      1HD2
 18    A       ASN       54      2HD2
 18    A       GLN       67      1HE2
 18    A       GLN       67      2HE2
 18    A       ASN       87      1HD2
 18    A       ASN       87      2HD2
 18    A       ASN       97      1HD2
 18    A       ASN       97      2HD2
 18    A       GLN      114      1HE2
 18    A       GLN      114      2HE2
 19    A       ASN        2      1HD2
 19    A       ASN        2      2HD2
 19    A       GLN        4      1HE2
 19    A       GLN        4      2HE2
 19    A       GLN        5      1HE2
 19    A       GLN        5      2HE2
 19    A       GLN       11      1HE2
 19    A       GLN       11      2HE2
 19    A       ASN       36      1HD2
 19    A       ASN       36      2HD2
 19    A       ASN       54      1HD2
 19    A       ASN       54      2HD2
 19    A       GLN       67      1HE2
 19    A       GLN       67      2HE2
 19    A       ASN       87      1HD2
 19    A       ASN       87      2HD2
 19    A       ASN       97      1HD2
 19    A       ASN       97      2HD2
 19    A       GLN      114      1HE2
 19    A       GLN      114      2HE2
 20    A       ASN        2      1HD2
 20    A       ASN        2      2HD2
 20    A       GLN        4      1HE2
 20    A       GLN        4      2HE2
 20    A       GLN        5      1HE2
 20    A       GLN        5      2HE2
 20    A       GLN       11      1HE2
 20    A       GLN       11      2HE2
 20    A       ASN       36      1HD2
 20    A       ASN       36      2HD2
 20    A       ASN       54      1HD2
 20    A       ASN       54      2HD2
 20    A       GLN       67      1HE2
 20    A       GLN       67      2HE2
 20    A       ASN       87      1HD2
 20    A       ASN       87      2HD2
 20    A       ASN       97      1HD2
 20    A       ASN       97      2HD2
 20    A       GLN      114      1HE2
 20    A       GLN      114      2HE2

OTHER IMPORTANT ISSUES

==> The following residues are missing:
    (Note: The SEQ number starts from 1 for each chain according to SEQRES
     sequence record.)
    
     RES MOD#C SEQ          

     MET(  1 A-124 )
     ASN(  1 A-123 )
     ARG(  1 A-122 )
     GLN(  1 A-121 )
     GLN(  1 A-120 )
     PHE(  1 A-119 )
     ILE(  1 A-118 )
     ASP(  1 A-117 )
     TYR(  1 A-116 )
     ALA(  1 A-115 )
     GLN(  1 A-114 )
     LYS(  1 A-113 )
     LYS(  1 A-112 )
     TYR(  1 A-111 )
     ASP(  1 A-110 )
     THR(  1 A-109 )
     LYS(  1 A-108 )
     PRO(  1 A-107 )
     ASP(  1 A-106 )
     HIS(  1 A-105 )
     PRO(  1 A-104 )
     TRP(  1 A-103 )
     GLU(  1 A-102 )
     LYS(  1 A-101 )
     PHE(  1 A-100 )
     PRO(  1 A -99 )
     ASP(  1 A -98 )
     TYR(  1 A -97 )
     ALA(  1 A -96 )
     VAL(  1 A -95 )
     PHE(  1 A -94 )
     ARG(  1 A -93 )
     HIS(  1 A -92 )
     SER(  1 A -91 )
     ASP(  1 A -90 )
     ASN(  1 A -89 )
     ASP(  1 A -88 )
     LYS(  1 A -87 )
     TRP(  1 A -86 )
     TYR(  1 A -85 )
     ALA(  1 A -84 )
     LEU(  1 A -83 )
     LEU(  1 A -82 )
     MET(  1 A -81 )
     ASP(  1 A -80 )
     ILE(  1 A -79 )
     PRO(  1 A -78 )
     ALA(  1 A -77 )
     GLU(  1 A -76 )
     LYS(  1 A -75 )
     ILE(  1 A -74 )
     GLY(  1 A -73 )
     ILE(  1 A -72 )
     ASN(  1 A -71 )
     GLY(  1 A -70 )
     ASP(  1 A -69 )
     LYS(  1 A -68 )
     ARG(  1 A -67 )
     VAL(  1 A -66 )
     ASP(  1 A -65 )
     VAL(  1 A -64 )
     ILE(  1 A -63 )
     ASP(  1 A -62 )
     LEU(  1 A -61 )
     LYS(  1 A -60 )
     VAL(  1 A -59 )
     GLN(  1 A -58 )
     PRO(  1 A -57 )
     GLU(  1 A -56 )
     LEU(  1 A -55 )
     VAL(  1 A -54 )
     GLY(  1 A -53 )
     SER(  1 A -52 )
     LEU(  1 A -51 )
     ARG(  1 A -50 )
     LYS(  1 A -49 )
     LYS(  1 A -48 )
     PRO(  1 A -47 )
     GLY(  1 A -46 )
     ILE(  1 A -45 )
     TYR(  1 A -44 )
     PRO(  1 A -43 )
     ALA(  1 A -42 )
     TYR(  1 A -41 )
     HIS(  1 A -40 )
     MET(  1 A -39 )
     ASN(  1 A -38 )
     LYS(  1 A -37 )
     GLU(  1 A -36 )
     HIS(  1 A -35 )
     TRP(  1 A -34 )
     ILE(  1 A -33 )
     THR(  1 A -32 )
     VAL(  1 A -31 )
     LEU(  1 A -30 )
     LEU(  1 A -29 )
     ASN(  1 A -28 )
     GLY(  1 A -27 )
     PRO(  1 A -26 )
     LEU(  1 A -25 )
     GLY(  1 A -24 )
     ALA(  1 A -23 )
     LYS(  1 A -22 )
     GLU(  1 A -21 )
     ILE(  1 A -20 )
     HIS(  1 A -19 )
     SER(  1 A -18 )
     LEU(  1 A -17 )
     ILE(  1 A -16 )
     GLU(  1 A -15 )
     ASP(  1 A -14 )
     SER(  1 A -13 )
     PHE(  1 A -12 )
     GLN(  1 A -11 )
     LEU(  1 A -10 )
     THR(  1 A  -9 )
     ARG(  1 A  -8 )
     LEU(  1 A  -7 )
     GLU(  1 A  -6 )
     HIS(  1 A  -5 )
     HIS(  1 A  -4 )
     HIS(  1 A  -3 )
     HIS(  1 A  -2 )
     HIS(  1 A  -1 )
     HIS(  1 A   0 )
     MET(  2 A-124 )
     ASN(  2 A-123 )
     ARG(  2 A-122 )
     GLN(  2 A-121 )
     GLN(  2 A-120 )
     PHE(  2 A-119 )
     ILE(  2 A-118 )
     ASP(  2 A-117 )
     TYR(  2 A-116 )
     ALA(  2 A-115 )
     GLN(  2 A-114 )
     LYS(  2 A-113 )
     LYS(  2 A-112 )
     TYR(  2 A-111 )
     ASP(  2 A-110 )
     THR(  2 A-109 )
     LYS(  2 A-108 )
     PRO(  2 A-107 )
     ASP(  2 A-106 )
     HIS(  2 A-105 )
     PRO(  2 A-104 )
     TRP(  2 A-103 )
     GLU(  2 A-102 )
     LYS(  2 A-101 )
     PHE(  2 A-100 )
     PRO(  2 A -99 )
     ASP(  2 A -98 )
     TYR(  2 A -97 )
     ALA(  2 A -96 )
     VAL(  2 A -95 )
     PHE(  2 A -94 )
     ARG(  2 A -93 )
     HIS(  2 A -92 )
     SER(  2 A -91 )
     ASP(  2 A -90 )
     ASN(  2 A -89 )
     ASP(  2 A -88 )
     LYS(  2 A -87 )
     TRP(  2 A -86 )
     TYR(  2 A -85 )
     ALA(  2 A -84 )
     LEU(  2 A -83 )
     LEU(  2 A -82 )
     MET(  2 A -81 )
     ASP(  2 A -80 )
     ILE(  2 A -79 )
     PRO(  2 A -78 )
     ALA(  2 A -77 )
     GLU(  2 A -76 )
     LYS(  2 A -75 )
     ILE(  2 A -74 )
     GLY(  2 A -73 )
     ILE(  2 A -72 )
     ASN(  2 A -71 )
     GLY(  2 A -70 )
     ASP(  2 A -69 )
     LYS(  2 A -68 )
     ARG(  2 A -67 )
     VAL(  2 A -66 )
     ASP(  2 A -65 )
     VAL(  2 A -64 )
     ILE(  2 A -63 )
     ASP(  2 A -62 )
     LEU(  2 A -61 )
     LYS(  2 A -60 )
     VAL(  2 A -59 )
     GLN(  2 A -58 )
     PRO(  2 A -57 )
     GLU(  2 A -56 )
     LEU(  2 A -55 )
     VAL(  2 A -54 )
     GLY(  2 A -53 )
     SER(  2 A -52 )
     LEU(  2 A -51 )
     ARG(  2 A -50 )
     LYS(  2 A -49 )
     LYS(  2 A -48 )
     PRO(  2 A -47 )
     GLY(  2 A -46 )
     ILE(  2 A -45 )
     TYR(  2 A -44 )
     PRO(  2 A -43 )
     ALA(  2 A -42 )
     TYR(  2 A -41 )
     HIS(  2 A -40 )
     MET(  2 A -39 )
     ASN(  2 A -38 )
     LYS(  2 A -37 )
     GLU(  2 A -36 )
     HIS(  2 A -35 )
     TRP(  2 A -34 )
     ILE(  2 A -33 )
     THR(  2 A -32 )
     VAL(  2 A -31 )
     LEU(  2 A -30 )
     LEU(  2 A -29 )
     ASN(  2 A -28 )
     GLY(  2 A -27 )
     PRO(  2 A -26 )
     LEU(  2 A -25 )
     GLY(  2 A -24 )
     ALA(  2 A -23 )
     LYS(  2 A -22 )
     GLU(  2 A -21 )
     ILE(  2 A -20 )
     HIS(  2 A -19 )
     SER(  2 A -18 )
     LEU(  2 A -17 )
     ILE(  2 A -16 )
     GLU(  2 A -15 )
     ASP(  2 A -14 )
     SER(  2 A -13 )
     PHE(  2 A -12 )
     GLN(  2 A -11 )
     LEU(  2 A -10 )
     THR(  2 A  -9 )
     ARG(  2 A  -8 )
     LEU(  2 A  -7 )
     GLU(  2 A  -6 )
     HIS(  2 A  -5 )
     HIS(  2 A  -4 )
     HIS(  2 A  -3 )
     HIS(  2 A  -2 )
     HIS(  2 A  -1 )
     HIS(  2 A   0 )
     MET(  3 A-124 )
     ASN(  3 A-123 )
     ARG(  3 A-122 )
     GLN(  3 A-121 )
     GLN(  3 A-120 )
     PHE(  3 A-119 )
     ILE(  3 A-118 )
     ASP(  3 A-117 )
     TYR(  3 A-116 )
     ALA(  3 A-115 )
     GLN(  3 A-114 )
     LYS(  3 A-113 )
     LYS(  3 A-112 )
     TYR(  3 A-111 )
     ASP(  3 A-110 )
     THR(  3 A-109 )
     LYS(  3 A-108 )
     PRO(  3 A-107 )
     ASP(  3 A-106 )
     HIS(  3 A-105 )
     PRO(  3 A-104 )
     TRP(  3 A-103 )
     GLU(  3 A-102 )
     LYS(  3 A-101 )
     PHE(  3 A-100 )
     PRO(  3 A -99 )
     ASP(  3 A -98 )
     TYR(  3 A -97 )
     ALA(  3 A -96 )
     VAL(  3 A -95 )
     PHE(  3 A -94 )
     ARG(  3 A -93 )
     HIS(  3 A -92 )
     SER(  3 A -91 )
     ASP(  3 A -90 )
     ASN(  3 A -89 )
     ASP(  3 A -88 )
     LYS(  3 A -87 )
     TRP(  3 A -86 )
     TYR(  3 A -85 )
     ALA(  3 A -84 )
     LEU(  3 A -83 )
     LEU(  3 A -82 )
     MET(  3 A -81 )
     ASP(  3 A -80 )
     ILE(  3 A -79 )
     PRO(  3 A -78 )
     ALA(  3 A -77 )
     GLU(  3 A -76 )
     LYS(  3 A -75 )
     ILE(  3 A -74 )
     GLY(  3 A -73 )
     ILE(  3 A -72 )
     ASN(  3 A -71 )
     GLY(  3 A -70 )
     ASP(  3 A -69 )
     LYS(  3 A -68 )
     ARG(  3 A -67 )
     VAL(  3 A -66 )
     ASP(  3 A -65 )
     VAL(  3 A -64 )
     ILE(  3 A -63 )
     ASP(  3 A -62 )
     LEU(  3 A -61 )
     LYS(  3 A -60 )
     VAL(  3 A -59 )
     GLN(  3 A -58 )
     PRO(  3 A -57 )
     GLU(  3 A -56 )
     LEU(  3 A -55 )
     VAL(  3 A -54 )
     GLY(  3 A -53 )
     SER(  3 A -52 )
     LEU(  3 A -51 )
     ARG(  3 A -50 )
     LYS(  3 A -49 )
     LYS(  3 A -48 )
     PRO(  3 A -47 )
     GLY(  3 A -46 )
     ILE(  3 A -45 )
     TYR(  3 A -44 )
     PRO(  3 A -43 )
     ALA(  3 A -42 )
     TYR(  3 A -41 )
     HIS(  3 A -40 )
     MET(  3 A -39 )
     ASN(  3 A -38 )
     LYS(  3 A -37 )
     GLU(  3 A -36 )
     HIS(  3 A -35 )
     TRP(  3 A -34 )
     ILE(  3 A -33 )
     THR(  3 A -32 )
     VAL(  3 A -31 )
     LEU(  3 A -30 )
     LEU(  3 A -29 )
     ASN(  3 A -28 )
     GLY(  3 A -27 )
     PRO(  3 A -26 )
     LEU(  3 A -25 )
     GLY(  3 A -24 )
     ALA(  3 A -23 )
     LYS(  3 A -22 )
     GLU(  3 A -21 )
     ILE(  3 A -20 )
     HIS(  3 A -19 )
     SER(  3 A -18 )
     LEU(  3 A -17 )
     ILE(  3 A -16 )
     GLU(  3 A -15 )
     ASP(  3 A -14 )
     SER(  3 A -13 )
     PHE(  3 A -12 )
     GLN(  3 A -11 )
     LEU(  3 A -10 )
     THR(  3 A  -9 )
     ARG(  3 A  -8 )
     LEU(  3 A  -7 )
     GLU(  3 A  -6 )
     HIS(  3 A  -5 )
     HIS(  3 A  -4 )
     HIS(  3 A  -3 )
     HIS(  3 A  -2 )
     HIS(  3 A  -1 )
     HIS(  3 A   0 )
     MET(  4 A-124 )
     ASN(  4 A-123 )
     ARG(  4 A-122 )
     GLN(  4 A-121 )
     GLN(  4 A-120 )
     PHE(  4 A-119 )
     ILE(  4 A-118 )
     ASP(  4 A-117 )
     TYR(  4 A-116 )
     ALA(  4 A-115 )
     GLN(  4 A-114 )
     LYS(  4 A-113 )
     LYS(  4 A-112 )
     TYR(  4 A-111 )
     ASP(  4 A-110 )
     THR(  4 A-109 )
     LYS(  4 A-108 )
     PRO(  4 A-107 )
     ASP(  4 A-106 )
     HIS(  4 A-105 )
     PRO(  4 A-104 )
     TRP(  4 A-103 )
     GLU(  4 A-102 )
     LYS(  4 A-101 )
     PHE(  4 A-100 )
     PRO(  4 A -99 )
     ASP(  4 A -98 )
     TYR(  4 A -97 )
     ALA(  4 A -96 )
     VAL(  4 A -95 )
     PHE(  4 A -94 )
     ARG(  4 A -93 )
     HIS(  4 A -92 )
     SER(  4 A -91 )
     ASP(  4 A -90 )
     ASN(  4 A -89 )
     ASP(  4 A -88 )
     LYS(  4 A -87 )
     TRP(  4 A -86 )
     TYR(  4 A -85 )
     ALA(  4 A -84 )
     LEU(  4 A -83 )
     LEU(  4 A -82 )
     MET(  4 A -81 )
     ASP(  4 A -80 )
     ILE(  4 A -79 )
     PRO(  4 A -78 )
     ALA(  4 A -77 )
     GLU(  4 A -76 )
     LYS(  4 A -75 )
     ILE(  4 A -74 )
     GLY(  4 A -73 )
     ILE(  4 A -72 )
     ASN(  4 A -71 )
     GLY(  4 A -70 )
     ASP(  4 A -69 )
     LYS(  4 A -68 )
     ARG(  4 A -67 )
     VAL(  4 A -66 )
     ASP(  4 A -65 )
     VAL(  4 A -64 )
     ILE(  4 A -63 )
     ASP(  4 A -62 )
     LEU(  4 A -61 )
     LYS(  4 A -60 )
     VAL(  4 A -59 )
     GLN(  4 A -58 )
     PRO(  4 A -57 )
     GLU(  4 A -56 )
     LEU(  4 A -55 )
     VAL(  4 A -54 )
     GLY(  4 A -53 )
     SER(  4 A -52 )
     LEU(  4 A -51 )
     ARG(  4 A -50 )
     LYS(  4 A -49 )
     LYS(  4 A -48 )
     PRO(  4 A -47 )
     GLY(  4 A -46 )
     ILE(  4 A -45 )
     TYR(  4 A -44 )
     PRO(  4 A -43 )
     ALA(  4 A -42 )
     TYR(  4 A -41 )
     HIS(  4 A -40 )
     MET(  4 A -39 )
     ASN(  4 A -38 )
     LYS(  4 A -37 )
     GLU(  4 A -36 )
     HIS(  4 A -35 )
     TRP(  4 A -34 )
     ILE(  4 A -33 )
     THR(  4 A -32 )
     VAL(  4 A -31 )
     LEU(  4 A -30 )
     LEU(  4 A -29 )
     ASN(  4 A -28 )
     GLY(  4 A -27 )
     PRO(  4 A -26 )
     LEU(  4 A -25 )
     GLY(  4 A -24 )
     ALA(  4 A -23 )
     LYS(  4 A -22 )
     GLU(  4 A -21 )
     ILE(  4 A -20 )
     HIS(  4 A -19 )
     SER(  4 A -18 )
     LEU(  4 A -17 )
     ILE(  4 A -16 )
     GLU(  4 A -15 )
     ASP(  4 A -14 )
     SER(  4 A -13 )
     PHE(  4 A -12 )
     GLN(  4 A -11 )
     LEU(  4 A -10 )
     THR(  4 A  -9 )
     ARG(  4 A  -8 )
     LEU(  4 A  -7 )
     GLU(  4 A  -6 )
     HIS(  4 A  -5 )
     HIS(  4 A  -4 )
     HIS(  4 A  -3 )
     HIS(  4 A  -2 )
     HIS(  4 A  -1 )
     HIS(  4 A   0 )
     MET(  5 A-124 )
     ASN(  5 A-123 )
     ARG(  5 A-122 )
     GLN(  5 A-121 )
     GLN(  5 A-120 )
     PHE(  5 A-119 )
     ILE(  5 A-118 )
     ASP(  5 A-117 )
     TYR(  5 A-116 )
     ALA(  5 A-115 )
     GLN(  5 A-114 )
     LYS(  5 A-113 )
     LYS(  5 A-112 )
     TYR(  5 A-111 )
     ASP(  5 A-110 )
     THR(  5 A-109 )
     LYS(  5 A-108 )
     PRO(  5 A-107 )
     ASP(  5 A-106 )
     HIS(  5 A-105 )
     PRO(  5 A-104 )
     TRP(  5 A-103 )
     GLU(  5 A-102 )
     LYS(  5 A-101 )
     PHE(  5 A-100 )
     PRO(  5 A -99 )
     ASP(  5 A -98 )
     TYR(  5 A -97 )
     ALA(  5 A -96 )
     VAL(  5 A -95 )
     PHE(  5 A -94 )
     ARG(  5 A -93 )
     HIS(  5 A -92 )
     SER(  5 A -91 )
     ASP(  5 A -90 )
     ASN(  5 A -89 )
     ASP(  5 A -88 )
     LYS(  5 A -87 )
     TRP(  5 A -86 )
     TYR(  5 A -85 )
     ALA(  5 A -84 )
     LEU(  5 A -83 )
     LEU(  5 A -82 )
     MET(  5 A -81 )
     ASP(  5 A -80 )
     ILE(  5 A -79 )
     PRO(  5 A -78 )
     ALA(  5 A -77 )
     GLU(  5 A -76 )
     LYS(  5 A -75 )
     ILE(  5 A -74 )
     GLY(  5 A -73 )
     ILE(  5 A -72 )
     ASN(  5 A -71 )
     GLY(  5 A -70 )
     ASP(  5 A -69 )
     LYS(  5 A -68 )
     ARG(  5 A -67 )
     VAL(  5 A -66 )
     ASP(  5 A -65 )
     VAL(  5 A -64 )
     ILE(  5 A -63 )
     ASP(  5 A -62 )
     LEU(  5 A -61 )
     LYS(  5 A -60 )
     VAL(  5 A -59 )
     GLN(  5 A -58 )
     PRO(  5 A -57 )
     GLU(  5 A -56 )
     LEU(  5 A -55 )
     VAL(  5 A -54 )
     GLY(  5 A -53 )
     SER(  5 A -52 )
     LEU(  5 A -51 )
     ARG(  5 A -50 )
     LYS(  5 A -49 )
     LYS(  5 A -48 )
     PRO(  5 A -47 )
     GLY(  5 A -46 )
     ILE(  5 A -45 )
     TYR(  5 A -44 )
     PRO(  5 A -43 )
     ALA(  5 A -42 )
     TYR(  5 A -41 )
     HIS(  5 A -40 )
     MET(  5 A -39 )
     ASN(  5 A -38 )
     LYS(  5 A -37 )
     GLU(  5 A -36 )
     HIS(  5 A -35 )
     TRP(  5 A -34 )
     ILE(  5 A -33 )
     THR(  5 A -32 )
     VAL(  5 A -31 )
     LEU(  5 A -30 )
     LEU(  5 A -29 )
     ASN(  5 A -28 )
     GLY(  5 A -27 )
     PRO(  5 A -26 )
     LEU(  5 A -25 )
     GLY(  5 A -24 )
     ALA(  5 A -23 )
     LYS(  5 A -22 )
     GLU(  5 A -21 )
     ILE(  5 A -20 )
     HIS(  5 A -19 )
     SER(  5 A -18 )
     LEU(  5 A -17 )
     ILE(  5 A -16 )
     GLU(  5 A -15 )
     ASP(  5 A -14 )
     SER(  5 A -13 )
     PHE(  5 A -12 )
     GLN(  5 A -11 )
     LEU(  5 A -10 )
     THR(  5 A  -9 )
     ARG(  5 A  -8 )
     LEU(  5 A  -7 )
     GLU(  5 A  -6 )
     HIS(  5 A  -5 )
     HIS(  5 A  -4 )
     HIS(  5 A  -3 )
     HIS(  5 A  -2 )
     HIS(  5 A  -1 )
     HIS(  5 A   0 )
     MET(  6 A-124 )
     ASN(  6 A-123 )
     ARG(  6 A-122 )
     GLN(  6 A-121 )
     GLN(  6 A-120 )
     PHE(  6 A-119 )
     ILE(  6 A-118 )
     ASP(  6 A-117 )
     TYR(  6 A-116 )
     ALA(  6 A-115 )
     GLN(  6 A-114 )
     LYS(  6 A-113 )
     LYS(  6 A-112 )
     TYR(  6 A-111 )
     ASP(  6 A-110 )
     THR(  6 A-109 )
     LYS(  6 A-108 )
     PRO(  6 A-107 )
     ASP(  6 A-106 )
     HIS(  6 A-105 )
     PRO(  6 A-104 )
     TRP(  6 A-103 )
     GLU(  6 A-102 )
     LYS(  6 A-101 )
     PHE(  6 A-100 )
     PRO(  6 A -99 )
     ASP(  6 A -98 )
     TYR(  6 A -97 )
     ALA(  6 A -96 )
     VAL(  6 A -95 )
     PHE(  6 A -94 )
     ARG(  6 A -93 )
     HIS(  6 A -92 )
     SER(  6 A -91 )
     ASP(  6 A -90 )
     ASN(  6 A -89 )
     ASP(  6 A -88 )
     LYS(  6 A -87 )
     TRP(  6 A -86 )
     TYR(  6 A -85 )
     ALA(  6 A -84 )
     LEU(  6 A -83 )
     LEU(  6 A -82 )
     MET(  6 A -81 )
     ASP(  6 A -80 )
     ILE(  6 A -79 )
     PRO(  6 A -78 )
     ALA(  6 A -77 )
     GLU(  6 A -76 )
     LYS(  6 A -75 )
     ILE(  6 A -74 )
     GLY(  6 A -73 )
     ILE(  6 A -72 )
     ASN(  6 A -71 )
     GLY(  6 A -70 )
     ASP(  6 A -69 )
     LYS(  6 A -68 )
     ARG(  6 A -67 )
     VAL(  6 A -66 )
     ASP(  6 A -65 )
     VAL(  6 A -64 )
     ILE(  6 A -63 )
     ASP(  6 A -62 )
     LEU(  6 A -61 )
     LYS(  6 A -60 )
     VAL(  6 A -59 )
     GLN(  6 A -58 )
     PRO(  6 A -57 )
     GLU(  6 A -56 )
     LEU(  6 A -55 )
     VAL(  6 A -54 )
     GLY(  6 A -53 )
     SER(  6 A -52 )
     LEU(  6 A -51 )
     ARG(  6 A -50 )
     LYS(  6 A -49 )
     LYS(  6 A -48 )
     PRO(  6 A -47 )
     GLY(  6 A -46 )
     ILE(  6 A -45 )
     TYR(  6 A -44 )
     PRO(  6 A -43 )
     ALA(  6 A -42 )
     TYR(  6 A -41 )
     HIS(  6 A -40 )
     MET(  6 A -39 )
     ASN(  6 A -38 )
     LYS(  6 A -37 )
     GLU(  6 A -36 )
     HIS(  6 A -35 )
     TRP(  6 A -34 )
     ILE(  6 A -33 )
     THR(  6 A -32 )
     VAL(  6 A -31 )
     LEU(  6 A -30 )
     LEU(  6 A -29 )
     ASN(  6 A -28 )
     GLY(  6 A -27 )
     PRO(  6 A -26 )
     LEU(  6 A -25 )
     GLY(  6 A -24 )
     ALA(  6 A -23 )
     LYS(  6 A -22 )
     GLU(  6 A -21 )
     ILE(  6 A -20 )
     HIS(  6 A -19 )
     SER(  6 A -18 )
     LEU(  6 A -17 )
     ILE(  6 A -16 )
     GLU(  6 A -15 )
     ASP(  6 A -14 )
     SER(  6 A -13 )
     PHE(  6 A -12 )
     GLN(  6 A -11 )
     LEU(  6 A -10 )
     THR(  6 A  -9 )
     ARG(  6 A  -8 )
     LEU(  6 A  -7 )
     GLU(  6 A  -6 )
     HIS(  6 A  -5 )
     HIS(  6 A  -4 )
     HIS(  6 A  -3 )
     HIS(  6 A  -2 )
     HIS(  6 A  -1 )
     HIS(  6 A   0 )
     MET(  7 A-124 )
     ASN(  7 A-123 )
     ARG(  7 A-122 )
     GLN(  7 A-121 )
     GLN(  7 A-120 )
     PHE(  7 A-119 )
     ILE(  7 A-118 )
     ASP(  7 A-117 )
     TYR(  7 A-116 )
     ALA(  7 A-115 )
     GLN(  7 A-114 )
     LYS(  7 A-113 )
     LYS(  7 A-112 )
     TYR(  7 A-111 )
     ASP(  7 A-110 )
     THR(  7 A-109 )
     LYS(  7 A-108 )
     PRO(  7 A-107 )
     ASP(  7 A-106 )
     HIS(  7 A-105 )
     PRO(  7 A-104 )
     TRP(  7 A-103 )
     GLU(  7 A-102 )
     LYS(  7 A-101 )
     PHE(  7 A-100 )
     PRO(  7 A -99 )
     ASP(  7 A -98 )
     TYR(  7 A -97 )
     ALA(  7 A -96 )
     VAL(  7 A -95 )
     PHE(  7 A -94 )
     ARG(  7 A -93 )
     HIS(  7 A -92 )
     SER(  7 A -91 )
     ASP(  7 A -90 )
     ASN(  7 A -89 )
     ASP(  7 A -88 )
     LYS(  7 A -87 )
     TRP(  7 A -86 )
     TYR(  7 A -85 )
     ALA(  7 A -84 )
     LEU(  7 A -83 )
     LEU(  7 A -82 )
     MET(  7 A -81 )
     ASP(  7 A -80 )
     ILE(  7 A -79 )
     PRO(  7 A -78 )
     ALA(  7 A -77 )
     GLU(  7 A -76 )
     LYS(  7 A -75 )
     ILE(  7 A -74 )
     GLY(  7 A -73 )
     ILE(  7 A -72 )
     ASN(  7 A -71 )
     GLY(  7 A -70 )
     ASP(  7 A -69 )
     LYS(  7 A -68 )
     ARG(  7 A -67 )
     VAL(  7 A -66 )
     ASP(  7 A -65 )
     VAL(  7 A -64 )
     ILE(  7 A -63 )
     ASP(  7 A -62 )
     LEU(  7 A -61 )
     LYS(  7 A -60 )
     VAL(  7 A -59 )
     GLN(  7 A -58 )
     PRO(  7 A -57 )
     GLU(  7 A -56 )
     LEU(  7 A -55 )
     VAL(  7 A -54 )
     GLY(  7 A -53 )
     SER(  7 A -52 )
     LEU(  7 A -51 )
     ARG(  7 A -50 )
     LYS(  7 A -49 )
     LYS(  7 A -48 )
     PRO(  7 A -47 )
     GLY(  7 A -46 )
     ILE(  7 A -45 )
     TYR(  7 A -44 )
     PRO(  7 A -43 )
     ALA(  7 A -42 )
     TYR(  7 A -41 )
     HIS(  7 A -40 )
     MET(  7 A -39 )
     ASN(  7 A -38 )
     LYS(  7 A -37 )
     GLU(  7 A -36 )
     HIS(  7 A -35 )
     TRP(  7 A -34 )
     ILE(  7 A -33 )
     THR(  7 A -32 )
     VAL(  7 A -31 )
     LEU(  7 A -30 )
     LEU(  7 A -29 )
     ASN(  7 A -28 )
     GLY(  7 A -27 )
     PRO(  7 A -26 )
     LEU(  7 A -25 )
     GLY(  7 A -24 )
     ALA(  7 A -23 )
     LYS(  7 A -22 )
     GLU(  7 A -21 )
     ILE(  7 A -20 )
     HIS(  7 A -19 )
     SER(  7 A -18 )
     LEU(  7 A -17 )
     ILE(  7 A -16 )
     GLU(  7 A -15 )
     ASP(  7 A -14 )
     SER(  7 A -13 )
     PHE(  7 A -12 )
     GLN(  7 A -11 )
     LEU(  7 A -10 )
     THR(  7 A  -9 )
     ARG(  7 A  -8 )
     LEU(  7 A  -7 )
     GLU(  7 A  -6 )
     HIS(  7 A  -5 )
     HIS(  7 A  -4 )
     HIS(  7 A  -3 )
     HIS(  7 A  -2 )
     HIS(  7 A  -1 )
     HIS(  7 A   0 )
     MET(  8 A-124 )
     ASN(  8 A-123 )
     ARG(  8 A-122 )
     GLN(  8 A-121 )
     GLN(  8 A-120 )
     PHE(  8 A-119 )
     ILE(  8 A-118 )
     ASP(  8 A-117 )
     TYR(  8 A-116 )
     ALA(  8 A-115 )
     GLN(  8 A-114 )
     LYS(  8 A-113 )
     LYS(  8 A-112 )
     TYR(  8 A-111 )
     ASP(  8 A-110 )
     THR(  8 A-109 )
     LYS(  8 A-108 )
     PRO(  8 A-107 )
     ASP(  8 A-106 )
     HIS(  8 A-105 )
     PRO(  8 A-104 )
     TRP(  8 A-103 )
     GLU(  8 A-102 )
     LYS(  8 A-101 )
     PHE(  8 A-100 )
     PRO(  8 A -99 )
     ASP(  8 A -98 )
     TYR(  8 A -97 )
     ALA(  8 A -96 )
     VAL(  8 A -95 )
     PHE(  8 A -94 )
     ARG(  8 A -93 )
     HIS(  8 A -92 )
     SER(  8 A -91 )
     ASP(  8 A -90 )
     ASN(  8 A -89 )
     ASP(  8 A -88 )
     LYS(  8 A -87 )
     TRP(  8 A -86 )
     TYR(  8 A -85 )
     ALA(  8 A -84 )
     LEU(  8 A -83 )
     LEU(  8 A -82 )
     MET(  8 A -81 )
     ASP(  8 A -80 )
     ILE(  8 A -79 )
     PRO(  8 A -78 )
     ALA(  8 A -77 )
     GLU(  8 A -76 )
     LYS(  8 A -75 )
     ILE(  8 A -74 )
     GLY(  8 A -73 )
     ILE(  8 A -72 )
     ASN(  8 A -71 )
     GLY(  8 A -70 )
     ASP(  8 A -69 )
     LYS(  8 A -68 )
     ARG(  8 A -67 )
     VAL(  8 A -66 )
     ASP(  8 A -65 )
     VAL(  8 A -64 )
     ILE(  8 A -63 )
     ASP(  8 A -62 )
     LEU(  8 A -61 )
     LYS(  8 A -60 )
     VAL(  8 A -59 )
     GLN(  8 A -58 )
     PRO(  8 A -57 )
     GLU(  8 A -56 )
     LEU(  8 A -55 )
     VAL(  8 A -54 )
     GLY(  8 A -53 )
     SER(  8 A -52 )
     LEU(  8 A -51 )
     ARG(  8 A -50 )
     LYS(  8 A -49 )
     LYS(  8 A -48 )
     PRO(  8 A -47 )
     GLY(  8 A -46 )
     ILE(  8 A -45 )
     TYR(  8 A -44 )
     PRO(  8 A -43 )
     ALA(  8 A -42 )
     TYR(  8 A -41 )
     HIS(  8 A -40 )
     MET(  8 A -39 )
     ASN(  8 A -38 )
     LYS(  8 A -37 )
     GLU(  8 A -36 )
     HIS(  8 A -35 )
     TRP(  8 A -34 )
     ILE(  8 A -33 )
     THR(  8 A -32 )
     VAL(  8 A -31 )
     LEU(  8 A -30 )
     LEU(  8 A -29 )
     ASN(  8 A -28 )
     GLY(  8 A -27 )
     PRO(  8 A -26 )
     LEU(  8 A -25 )
     GLY(  8 A -24 )
     ALA(  8 A -23 )
     LYS(  8 A -22 )
     GLU(  8 A -21 )
     ILE(  8 A -20 )
     HIS(  8 A -19 )
     SER(  8 A -18 )
     LEU(  8 A -17 )
     ILE(  8 A -16 )
     GLU(  8 A -15 )
     ASP(  8 A -14 )
     SER(  8 A -13 )
     PHE(  8 A -12 )
     GLN(  8 A -11 )
     LEU(  8 A -10 )
     THR(  8 A  -9 )
     ARG(  8 A  -8 )
     LEU(  8 A  -7 )
     GLU(  8 A  -6 )
     HIS(  8 A  -5 )
     HIS(  8 A  -4 )
     HIS(  8 A  -3 )
     HIS(  8 A  -2 )
     HIS(  8 A  -1 )
     HIS(  8 A   0 )
     MET(  9 A-124 )
     ASN(  9 A-123 )
     ARG(  9 A-122 )
     GLN(  9 A-121 )
     GLN(  9 A-120 )
     PHE(  9 A-119 )
     ILE(  9 A-118 )
     ASP(  9 A-117 )
     TYR(  9 A-116 )
     ALA(  9 A-115 )
     GLN(  9 A-114 )
     LYS(  9 A-113 )
     LYS(  9 A-112 )
     TYR(  9 A-111 )
     ASP(  9 A-110 )
     THR(  9 A-109 )
     LYS(  9 A-108 )
     PRO(  9 A-107 )
     ASP(  9 A-106 )
     HIS(  9 A-105 )
     PRO(  9 A-104 )
     TRP(  9 A-103 )
     GLU(  9 A-102 )
     LYS(  9 A-101 )
     PHE(  9 A-100 )
     PRO(  9 A -99 )
     ASP(  9 A -98 )
     TYR(  9 A -97 )
     ALA(  9 A -96 )
     VAL(  9 A -95 )
     PHE(  9 A -94 )
     ARG(  9 A -93 )
     HIS(  9 A -92 )
     SER(  9 A -91 )
     ASP(  9 A -90 )
     ASN(  9 A -89 )
     ASP(  9 A -88 )
     LYS(  9 A -87 )
     TRP(  9 A -86 )
     TYR(  9 A -85 )
     ALA(  9 A -84 )
     LEU(  9 A -83 )
     LEU(  9 A -82 )
     MET(  9 A -81 )
     ASP(  9 A -80 )
     ILE(  9 A -79 )
     PRO(  9 A -78 )
     ALA(  9 A -77 )
     GLU(  9 A -76 )
     LYS(  9 A -75 )
     ILE(  9 A -74 )
     GLY(  9 A -73 )
     ILE(  9 A -72 )
     ASN(  9 A -71 )
     GLY(  9 A -70 )
     ASP(  9 A -69 )
     LYS(  9 A -68 )
     ARG(  9 A -67 )
     VAL(  9 A -66 )
     ASP(  9 A -65 )
     VAL(  9 A -64 )
     ILE(  9 A -63 )
     ASP(  9 A -62 )
     LEU(  9 A -61 )
     LYS(  9 A -60 )
     VAL(  9 A -59 )
     GLN(  9 A -58 )
     PRO(  9 A -57 )
     GLU(  9 A -56 )
     LEU(  9 A -55 )
     VAL(  9 A -54 )
     GLY(  9 A -53 )
     SER(  9 A -52 )
     LEU(  9 A -51 )
     ARG(  9 A -50 )
     LYS(  9 A -49 )
     LYS(  9 A -48 )
     PRO(  9 A -47 )
     GLY(  9 A -46 )
     ILE(  9 A -45 )
     TYR(  9 A -44 )
     PRO(  9 A -43 )
     ALA(  9 A -42 )
     TYR(  9 A -41 )
     HIS(  9 A -40 )
     MET(  9 A -39 )
     ASN(  9 A -38 )
     LYS(  9 A -37 )
     GLU(  9 A -36 )
     HIS(  9 A -35 )
     TRP(  9 A -34 )
     ILE(  9 A -33 )
     THR(  9 A -32 )
     VAL(  9 A -31 )
     LEU(  9 A -30 )
     LEU(  9 A -29 )
     ASN(  9 A -28 )
     GLY(  9 A -27 )
     PRO(  9 A -26 )
     LEU(  9 A -25 )
     GLY(  9 A -24 )
     ALA(  9 A -23 )
     LYS(  9 A -22 )
     GLU(  9 A -21 )
     ILE(  9 A -20 )
     HIS(  9 A -19 )
     SER(  9 A -18 )
     LEU(  9 A -17 )
     ILE(  9 A -16 )
     GLU(  9 A -15 )
     ASP(  9 A -14 )
     SER(  9 A -13 )
     PHE(  9 A -12 )
     GLN(  9 A -11 )
     LEU(  9 A -10 )
     THR(  9 A  -9 )
     ARG(  9 A  -8 )
     LEU(  9 A  -7 )
     GLU(  9 A  -6 )
     HIS(  9 A  -5 )
     HIS(  9 A  -4 )
     HIS(  9 A  -3 )
     HIS(  9 A  -2 )
     HIS(  9 A  -1 )
     HIS(  9 A   0 )
     MET( 10 A-124 )
     ASN( 10 A-123 )
     ARG( 10 A-122 )
     GLN( 10 A-121 )
     GLN( 10 A-120 )
     PHE( 10 A-119 )
     ILE( 10 A-118 )
     ASP( 10 A-117 )
     TYR( 10 A-116 )
     ALA( 10 A-115 )
     GLN( 10 A-114 )
     LYS( 10 A-113 )
     LYS( 10 A-112 )
     TYR( 10 A-111 )
     ASP( 10 A-110 )
     THR( 10 A-109 )
     LYS( 10 A-108 )
     PRO( 10 A-107 )
     ASP( 10 A-106 )
     HIS( 10 A-105 )
     PRO( 10 A-104 )
     TRP( 10 A-103 )
     GLU( 10 A-102 )
     LYS( 10 A-101 )
     PHE( 10 A-100 )
     PRO( 10 A -99 )
     ASP( 10 A -98 )
     TYR( 10 A -97 )
     ALA( 10 A -96 )
     VAL( 10 A -95 )
     PHE( 10 A -94 )
     ARG( 10 A -93 )
     HIS( 10 A -92 )
     SER( 10 A -91 )
     ASP( 10 A -90 )
     ASN( 10 A -89 )
     ASP( 10 A -88 )
     LYS( 10 A -87 )
     TRP( 10 A -86 )
     TYR( 10 A -85 )
     ALA( 10 A -84 )
     LEU( 10 A -83 )
     LEU( 10 A -82 )
     MET( 10 A -81 )
     ASP( 10 A -80 )
     ILE( 10 A -79 )
     PRO( 10 A -78 )
     ALA( 10 A -77 )
     GLU( 10 A -76 )
     LYS( 10 A -75 )
     ILE( 10 A -74 )
     GLY( 10 A -73 )
     ILE( 10 A -72 )
     ASN( 10 A -71 )
     GLY( 10 A -70 )
     ASP( 10 A -69 )
     LYS( 10 A -68 )
     ARG( 10 A -67 )
     VAL( 10 A -66 )
     ASP( 10 A -65 )
     VAL( 10 A -64 )
     ILE( 10 A -63 )
     ASP( 10 A -62 )
     LEU( 10 A -61 )
     LYS( 10 A -60 )
     VAL( 10 A -59 )
     GLN( 10 A -58 )
     PRO( 10 A -57 )
     GLU( 10 A -56 )
     LEU( 10 A -55 )
     VAL( 10 A -54 )
     GLY( 10 A -53 )
     SER( 10 A -52 )
     LEU( 10 A -51 )
     ARG( 10 A -50 )
     LYS( 10 A -49 )
     LYS( 10 A -48 )
     PRO( 10 A -47 )
     GLY( 10 A -46 )
     ILE( 10 A -45 )
     TYR( 10 A -44 )
     PRO( 10 A -43 )
     ALA( 10 A -42 )
     TYR( 10 A -41 )
     HIS( 10 A -40 )
     MET( 10 A -39 )
     ASN( 10 A -38 )
     LYS( 10 A -37 )
     GLU( 10 A -36 )
     HIS( 10 A -35 )
     TRP( 10 A -34 )
     ILE( 10 A -33 )
     THR( 10 A -32 )
     VAL( 10 A -31 )
     LEU( 10 A -30 )
     LEU( 10 A -29 )
     ASN( 10 A -28 )
     GLY( 10 A -27 )
     PRO( 10 A -26 )
     LEU( 10 A -25 )
     GLY( 10 A -24 )
     ALA( 10 A -23 )
     LYS( 10 A -22 )
     GLU( 10 A -21 )
     ILE( 10 A -20 )
     HIS( 10 A -19 )
     SER( 10 A -18 )
     LEU( 10 A -17 )
     ILE( 10 A -16 )
     GLU( 10 A -15 )
     ASP( 10 A -14 )
     SER( 10 A -13 )
     PHE( 10 A -12 )
     GLN( 10 A -11 )
     LEU( 10 A -10 )
     THR( 10 A  -9 )
     ARG( 10 A  -8 )
     LEU( 10 A  -7 )
     GLU( 10 A  -6 )
     HIS( 10 A  -5 )
     HIS( 10 A  -4 )
     HIS( 10 A  -3 )
     HIS( 10 A  -2 )
     HIS( 10 A  -1 )
     HIS( 10 A   0 )
     MET( 11 A-124 )
     ASN( 11 A-123 )
     ARG( 11 A-122 )
     GLN( 11 A-121 )
     GLN( 11 A-120 )
     PHE( 11 A-119 )
     ILE( 11 A-118 )
     ASP( 11 A-117 )
     TYR( 11 A-116 )
     ALA( 11 A-115 )
     GLN( 11 A-114 )
     LYS( 11 A-113 )
     LYS( 11 A-112 )
     TYR( 11 A-111 )
     ASP( 11 A-110 )
     THR( 11 A-109 )
     LYS( 11 A-108 )
     PRO( 11 A-107 )
     ASP( 11 A-106 )
     HIS( 11 A-105 )
     PRO( 11 A-104 )
     TRP( 11 A-103 )
     GLU( 11 A-102 )
     LYS( 11 A-101 )
     PHE( 11 A-100 )
     PRO( 11 A -99 )
     ASP( 11 A -98 )
     TYR( 11 A -97 )
     ALA( 11 A -96 )
     VAL( 11 A -95 )
     PHE( 11 A -94 )
     ARG( 11 A -93 )
     HIS( 11 A -92 )
     SER( 11 A -91 )
     ASP( 11 A -90 )
     ASN( 11 A -89 )
     ASP( 11 A -88 )
     LYS( 11 A -87 )
     TRP( 11 A -86 )
     TYR( 11 A -85 )
     ALA( 11 A -84 )
     LEU( 11 A -83 )
     LEU( 11 A -82 )
     MET( 11 A -81 )
     ASP( 11 A -80 )
     ILE( 11 A -79 )
     PRO( 11 A -78 )
     ALA( 11 A -77 )
     GLU( 11 A -76 )
     LYS( 11 A -75 )
     ILE( 11 A -74 )
     GLY( 11 A -73 )
     ILE( 11 A -72 )
     ASN( 11 A -71 )
     GLY( 11 A -70 )
     ASP( 11 A -69 )
     LYS( 11 A -68 )
     ARG( 11 A -67 )
     VAL( 11 A -66 )
     ASP( 11 A -65 )
     VAL( 11 A -64 )
     ILE( 11 A -63 )
     ASP( 11 A -62 )
     LEU( 11 A -61 )
     LYS( 11 A -60 )
     VAL( 11 A -59 )
     GLN( 11 A -58 )
     PRO( 11 A -57 )
     GLU( 11 A -56 )
     LEU( 11 A -55 )
     VAL( 11 A -54 )
     GLY( 11 A -53 )
     SER( 11 A -52 )
     LEU( 11 A -51 )
     ARG( 11 A -50 )
     LYS( 11 A -49 )
     LYS( 11 A -48 )
     PRO( 11 A -47 )
     GLY( 11 A -46 )
     ILE( 11 A -45 )
     TYR( 11 A -44 )
     PRO( 11 A -43 )
     ALA( 11 A -42 )
     TYR( 11 A -41 )
     HIS( 11 A -40 )
     MET( 11 A -39 )
     ASN( 11 A -38 )
     LYS( 11 A -37 )
     GLU( 11 A -36 )
     HIS( 11 A -35 )
     TRP( 11 A -34 )
     ILE( 11 A -33 )
     THR( 11 A -32 )
     VAL( 11 A -31 )
     LEU( 11 A -30 )
     LEU( 11 A -29 )
     ASN( 11 A -28 )
     GLY( 11 A -27 )
     PRO( 11 A -26 )
     LEU( 11 A -25 )
     GLY( 11 A -24 )
     ALA( 11 A -23 )
     LYS( 11 A -22 )
     GLU( 11 A -21 )
     ILE( 11 A -20 )
     HIS( 11 A -19 )
     SER( 11 A -18 )
     LEU( 11 A -17 )
     ILE( 11 A -16 )
     GLU( 11 A -15 )
     ASP( 11 A -14 )
     SER( 11 A -13 )
     PHE( 11 A -12 )
     GLN( 11 A -11 )
     LEU( 11 A -10 )
     THR( 11 A  -9 )
     ARG( 11 A  -8 )
     LEU( 11 A  -7 )
     GLU( 11 A  -6 )
     HIS( 11 A  -5 )
     HIS( 11 A  -4 )
     HIS( 11 A  -3 )
     HIS( 11 A  -2 )
     HIS( 11 A  -1 )
     HIS( 11 A   0 )
     MET( 12 A-124 )
     ASN( 12 A-123 )
     ARG( 12 A-122 )
     GLN( 12 A-121 )
     GLN( 12 A-120 )
     PHE( 12 A-119 )
     ILE( 12 A-118 )
     ASP( 12 A-117 )
     TYR( 12 A-116 )
     ALA( 12 A-115 )
     GLN( 12 A-114 )
     LYS( 12 A-113 )
     LYS( 12 A-112 )
     TYR( 12 A-111 )
     ASP( 12 A-110 )
     THR( 12 A-109 )
     LYS( 12 A-108 )
     PRO( 12 A-107 )
     ASP( 12 A-106 )
     HIS( 12 A-105 )
     PRO( 12 A-104 )
     TRP( 12 A-103 )
     GLU( 12 A-102 )
     LYS( 12 A-101 )
     PHE( 12 A-100 )
     PRO( 12 A -99 )
     ASP( 12 A -98 )
     TYR( 12 A -97 )
     ALA( 12 A -96 )
     VAL( 12 A -95 )
     PHE( 12 A -94 )
     ARG( 12 A -93 )
     HIS( 12 A -92 )
     SER( 12 A -91 )
     ASP( 12 A -90 )
     ASN( 12 A -89 )
     ASP( 12 A -88 )
     LYS( 12 A -87 )
     TRP( 12 A -86 )
     TYR( 12 A -85 )
     ALA( 12 A -84 )
     LEU( 12 A -83 )
     LEU( 12 A -82 )
     MET( 12 A -81 )
     ASP( 12 A -80 )
     ILE( 12 A -79 )
     PRO( 12 A -78 )
     ALA( 12 A -77 )
     GLU( 12 A -76 )
     LYS( 12 A -75 )
     ILE( 12 A -74 )
     GLY( 12 A -73 )
     ILE( 12 A -72 )
     ASN( 12 A -71 )
     GLY( 12 A -70 )
     ASP( 12 A -69 )
     LYS( 12 A -68 )
     ARG( 12 A -67 )
     VAL( 12 A -66 )
     ASP( 12 A -65 )
     VAL( 12 A -64 )
     ILE( 12 A -63 )
     ASP( 12 A -62 )
     LEU( 12 A -61 )
     LYS( 12 A -60 )
     VAL( 12 A -59 )
     GLN( 12 A -58 )
     PRO( 12 A -57 )
     GLU( 12 A -56 )
     LEU( 12 A -55 )
     VAL( 12 A -54 )
     GLY( 12 A -53 )
     SER( 12 A -52 )
     LEU( 12 A -51 )
     ARG( 12 A -50 )
     LYS( 12 A -49 )
     LYS( 12 A -48 )
     PRO( 12 A -47 )
     GLY( 12 A -46 )
     ILE( 12 A -45 )
     TYR( 12 A -44 )
     PRO( 12 A -43 )
     ALA( 12 A -42 )
     TYR( 12 A -41 )
     HIS( 12 A -40 )
     MET( 12 A -39 )
     ASN( 12 A -38 )
     LYS( 12 A -37 )
     GLU( 12 A -36 )
     HIS( 12 A -35 )
     TRP( 12 A -34 )
     ILE( 12 A -33 )
     THR( 12 A -32 )
     VAL( 12 A -31 )
     LEU( 12 A -30 )
     LEU( 12 A -29 )
     ASN( 12 A -28 )
     GLY( 12 A -27 )
     PRO( 12 A -26 )
     LEU( 12 A -25 )
     GLY( 12 A -24 )
     ALA( 12 A -23 )
     LYS( 12 A -22 )
     GLU( 12 A -21 )
     ILE( 12 A -20 )
     HIS( 12 A -19 )
     SER( 12 A -18 )
     LEU( 12 A -17 )
     ILE( 12 A -16 )
     GLU( 12 A -15 )
     ASP( 12 A -14 )
     SER( 12 A -13 )
     PHE( 12 A -12 )
     GLN( 12 A -11 )
     LEU( 12 A -10 )
     THR( 12 A  -9 )
     ARG( 12 A  -8 )
     LEU( 12 A  -7 )
     GLU( 12 A  -6 )
     HIS( 12 A  -5 )
     HIS( 12 A  -4 )
     HIS( 12 A  -3 )
     HIS( 12 A  -2 )
     HIS( 12 A  -1 )
     HIS( 12 A   0 )
     MET( 13 A-124 )
     ASN( 13 A-123 )
     ARG( 13 A-122 )
     GLN( 13 A-121 )
     GLN( 13 A-120 )
     PHE( 13 A-119 )
     ILE( 13 A-118 )
     ASP( 13 A-117 )
     TYR( 13 A-116 )
     ALA( 13 A-115 )
     GLN( 13 A-114 )
     LYS( 13 A-113 )
     LYS( 13 A-112 )
     TYR( 13 A-111 )
     ASP( 13 A-110 )
     THR( 13 A-109 )
     LYS( 13 A-108 )
     PRO( 13 A-107 )
     ASP( 13 A-106 )
     HIS( 13 A-105 )
     PRO( 13 A-104 )
     TRP( 13 A-103 )
     GLU( 13 A-102 )
     LYS( 13 A-101 )
     PHE( 13 A-100 )
     PRO( 13 A -99 )
     ASP( 13 A -98 )
     TYR( 13 A -97 )
     ALA( 13 A -96 )
     VAL( 13 A -95 )
     PHE( 13 A -94 )
     ARG( 13 A -93 )
     HIS( 13 A -92 )
     SER( 13 A -91 )
     ASP( 13 A -90 )
     ASN( 13 A -89 )
     ASP( 13 A -88 )
     LYS( 13 A -87 )
     TRP( 13 A -86 )
     TYR( 13 A -85 )
     ALA( 13 A -84 )
     LEU( 13 A -83 )
     LEU( 13 A -82 )
     MET( 13 A -81 )
     ASP( 13 A -80 )
     ILE( 13 A -79 )
     PRO( 13 A -78 )
     ALA( 13 A -77 )
     GLU( 13 A -76 )
     LYS( 13 A -75 )
     ILE( 13 A -74 )
     GLY( 13 A -73 )
     ILE( 13 A -72 )
     ASN( 13 A -71 )
     GLY( 13 A -70 )
     ASP( 13 A -69 )
     LYS( 13 A -68 )
     ARG( 13 A -67 )
     VAL( 13 A -66 )
     ASP( 13 A -65 )
     VAL( 13 A -64 )
     ILE( 13 A -63 )
     ASP( 13 A -62 )
     LEU( 13 A -61 )
     LYS( 13 A -60 )
     VAL( 13 A -59 )
     GLN( 13 A -58 )
     PRO( 13 A -57 )
     GLU( 13 A -56 )
     LEU( 13 A -55 )
     VAL( 13 A -54 )
     GLY( 13 A -53 )
     SER( 13 A -52 )
     LEU( 13 A -51 )
     ARG( 13 A -50 )
     LYS( 13 A -49 )
     LYS( 13 A -48 )
     PRO( 13 A -47 )
     GLY( 13 A -46 )
     ILE( 13 A -45 )
     TYR( 13 A -44 )
     PRO( 13 A -43 )
     ALA( 13 A -42 )
     TYR( 13 A -41 )
     HIS( 13 A -40 )
     MET( 13 A -39 )
     ASN( 13 A -38 )
     LYS( 13 A -37 )
     GLU( 13 A -36 )
     HIS( 13 A -35 )
     TRP( 13 A -34 )
     ILE( 13 A -33 )
     THR( 13 A -32 )
     VAL( 13 A -31 )
     LEU( 13 A -30 )
     LEU( 13 A -29 )
     ASN( 13 A -28 )
     GLY( 13 A -27 )
     PRO( 13 A -26 )
     LEU( 13 A -25 )
     GLY( 13 A -24 )
     ALA( 13 A -23 )
     LYS( 13 A -22 )
     GLU( 13 A -21 )
     ILE( 13 A -20 )
     HIS( 13 A -19 )
     SER( 13 A -18 )
     LEU( 13 A -17 )
     ILE( 13 A -16 )
     GLU( 13 A -15 )
     ASP( 13 A -14 )
     SER( 13 A -13 )
     PHE( 13 A -12 )
     GLN( 13 A -11 )
     LEU( 13 A -10 )
     THR( 13 A  -9 )
     ARG( 13 A  -8 )
     LEU( 13 A  -7 )
     GLU( 13 A  -6 )
     HIS( 13 A  -5 )
     HIS( 13 A  -4 )
     HIS( 13 A  -3 )
     HIS( 13 A  -2 )
     HIS( 13 A  -1 )
     HIS( 13 A   0 )
     MET( 14 A-124 )
     ASN( 14 A-123 )
     ARG( 14 A-122 )
     GLN( 14 A-121 )
     GLN( 14 A-120 )
     PHE( 14 A-119 )
     ILE( 14 A-118 )
     ASP( 14 A-117 )
     TYR( 14 A-116 )
     ALA( 14 A-115 )
     GLN( 14 A-114 )
     LYS( 14 A-113 )
     LYS( 14 A-112 )
     TYR( 14 A-111 )
     ASP( 14 A-110 )
     THR( 14 A-109 )
     LYS( 14 A-108 )
     PRO( 14 A-107 )
     ASP( 14 A-106 )
     HIS( 14 A-105 )
     PRO( 14 A-104 )
     TRP( 14 A-103 )
     GLU( 14 A-102 )
     LYS( 14 A-101 )
     PHE( 14 A-100 )
     PRO( 14 A -99 )
     ASP( 14 A -98 )
     TYR( 14 A -97 )
     ALA( 14 A -96 )
     VAL( 14 A -95 )
     PHE( 14 A -94 )
     ARG( 14 A -93 )
     HIS( 14 A -92 )
     SER( 14 A -91 )
     ASP( 14 A -90 )
     ASN( 14 A -89 )
     ASP( 14 A -88 )
     LYS( 14 A -87 )
     TRP( 14 A -86 )
     TYR( 14 A -85 )
     ALA( 14 A -84 )
     LEU( 14 A -83 )
     LEU( 14 A -82 )
     MET( 14 A -81 )
     ASP( 14 A -80 )
     ILE( 14 A -79 )
     PRO( 14 A -78 )
     ALA( 14 A -77 )
     GLU( 14 A -76 )
     LYS( 14 A -75 )
     ILE( 14 A -74 )
     GLY( 14 A -73 )
     ILE( 14 A -72 )
     ASN( 14 A -71 )
     GLY( 14 A -70 )
     ASP( 14 A -69 )
     LYS( 14 A -68 )
     ARG( 14 A -67 )
     VAL( 14 A -66 )
     ASP( 14 A -65 )
     VAL( 14 A -64 )
     ILE( 14 A -63 )
     ASP( 14 A -62 )
     LEU( 14 A -61 )
     LYS( 14 A -60 )
     VAL( 14 A -59 )
     GLN( 14 A -58 )
     PRO( 14 A -57 )
     GLU( 14 A -56 )
     LEU( 14 A -55 )
     VAL( 14 A -54 )
     GLY( 14 A -53 )
     SER( 14 A -52 )
     LEU( 14 A -51 )
     ARG( 14 A -50 )
     LYS( 14 A -49 )
     LYS( 14 A -48 )
     PRO( 14 A -47 )
     GLY( 14 A -46 )
     ILE( 14 A -45 )
     TYR( 14 A -44 )
     PRO( 14 A -43 )
     ALA( 14 A -42 )
     TYR( 14 A -41 )
     HIS( 14 A -40 )
     MET( 14 A -39 )
     ASN( 14 A -38 )
     LYS( 14 A -37 )
     GLU( 14 A -36 )
     HIS( 14 A -35 )
     TRP( 14 A -34 )
     ILE( 14 A -33 )
     THR( 14 A -32 )
     VAL( 14 A -31 )
     LEU( 14 A -30 )
     LEU( 14 A -29 )
     ASN( 14 A -28 )
     GLY( 14 A -27 )
     PRO( 14 A -26 )
     LEU( 14 A -25 )
     GLY( 14 A -24 )
     ALA( 14 A -23 )
     LYS( 14 A -22 )
     GLU( 14 A -21 )
     ILE( 14 A -20 )
     HIS( 14 A -19 )
     SER( 14 A -18 )
     LEU( 14 A -17 )
     ILE( 14 A -16 )
     GLU( 14 A -15 )
     ASP( 14 A -14 )
     SER( 14 A -13 )
     PHE( 14 A -12 )
     GLN( 14 A -11 )
     LEU( 14 A -10 )
     THR( 14 A  -9 )
     ARG( 14 A  -8 )
     LEU( 14 A  -7 )
     GLU( 14 A  -6 )
     HIS( 14 A  -5 )
     HIS( 14 A  -4 )
     HIS( 14 A  -3 )
     HIS( 14 A  -2 )
     HIS( 14 A  -1 )
     HIS( 14 A   0 )
     MET( 15 A-124 )
     ASN( 15 A-123 )
     ARG( 15 A-122 )
     GLN( 15 A-121 )
     GLN( 15 A-120 )
     PHE( 15 A-119 )
     ILE( 15 A-118 )
     ASP( 15 A-117 )
     TYR( 15 A-116 )
     ALA( 15 A-115 )
     GLN( 15 A-114 )
     LYS( 15 A-113 )
     LYS( 15 A-112 )
     TYR( 15 A-111 )
     ASP( 15 A-110 )
     THR( 15 A-109 )
     LYS( 15 A-108 )
     PRO( 15 A-107 )
     ASP( 15 A-106 )
     HIS( 15 A-105 )
     PRO( 15 A-104 )
     TRP( 15 A-103 )
     GLU( 15 A-102 )
     LYS( 15 A-101 )
     PHE( 15 A-100 )
     PRO( 15 A -99 )
     ASP( 15 A -98 )
     TYR( 15 A -97 )
     ALA( 15 A -96 )
     VAL( 15 A -95 )
     PHE( 15 A -94 )
     ARG( 15 A -93 )
     HIS( 15 A -92 )
     SER( 15 A -91 )
     ASP( 15 A -90 )
     ASN( 15 A -89 )
     ASP( 15 A -88 )
     LYS( 15 A -87 )
     TRP( 15 A -86 )
     TYR( 15 A -85 )
     ALA( 15 A -84 )
     LEU( 15 A -83 )
     LEU( 15 A -82 )
     MET( 15 A -81 )
     ASP( 15 A -80 )
     ILE( 15 A -79 )
     PRO( 15 A -78 )
     ALA( 15 A -77 )
     GLU( 15 A -76 )
     LYS( 15 A -75 )
     ILE( 15 A -74 )
     GLY( 15 A -73 )
     ILE( 15 A -72 )
     ASN( 15 A -71 )
     GLY( 15 A -70 )
     ASP( 15 A -69 )
     LYS( 15 A -68 )
     ARG( 15 A -67 )
     VAL( 15 A -66 )
     ASP( 15 A -65 )
     VAL( 15 A -64 )
     ILE( 15 A -63 )
     ASP( 15 A -62 )
     LEU( 15 A -61 )
     LYS( 15 A -60 )
     VAL( 15 A -59 )
     GLN( 15 A -58 )
     PRO( 15 A -57 )
     GLU( 15 A -56 )
     LEU( 15 A -55 )
     VAL( 15 A -54 )
     GLY( 15 A -53 )
     SER( 15 A -52 )
     LEU( 15 A -51 )
     ARG( 15 A -50 )
     LYS( 15 A -49 )
     LYS( 15 A -48 )
     PRO( 15 A -47 )
     GLY( 15 A -46 )
     ILE( 15 A -45 )
     TYR( 15 A -44 )
     PRO( 15 A -43 )
     ALA( 15 A -42 )
     TYR( 15 A -41 )
     HIS( 15 A -40 )
     MET( 15 A -39 )
     ASN( 15 A -38 )
     LYS( 15 A -37 )
     GLU( 15 A -36 )
     HIS( 15 A -35 )
     TRP( 15 A -34 )
     ILE( 15 A -33 )
     THR( 15 A -32 )
     VAL( 15 A -31 )
     LEU( 15 A -30 )
     LEU( 15 A -29 )
     ASN( 15 A -28 )
     GLY( 15 A -27 )
     PRO( 15 A -26 )
     LEU( 15 A -25 )
     GLY( 15 A -24 )
     ALA( 15 A -23 )
     LYS( 15 A -22 )
     GLU( 15 A -21 )
     ILE( 15 A -20 )
     HIS( 15 A -19 )
     SER( 15 A -18 )
     LEU( 15 A -17 )
     ILE( 15 A -16 )
     GLU( 15 A -15 )
     ASP( 15 A -14 )
     SER( 15 A -13 )
     PHE( 15 A -12 )
     GLN( 15 A -11 )
     LEU( 15 A -10 )
     THR( 15 A  -9 )
     ARG( 15 A  -8 )
     LEU( 15 A  -7 )
     GLU( 15 A  -6 )
     HIS( 15 A  -5 )
     HIS( 15 A  -4 )
     HIS( 15 A  -3 )
     HIS( 15 A  -2 )
     HIS( 15 A  -1 )
     HIS( 15 A   0 )
     MET( 16 A-124 )
     ASN( 16 A-123 )
     ARG( 16 A-122 )
     GLN( 16 A-121 )
     GLN( 16 A-120 )
     PHE( 16 A-119 )
     ILE( 16 A-118 )
     ASP( 16 A-117 )
     TYR( 16 A-116 )
     ALA( 16 A-115 )
     GLN( 16 A-114 )
     LYS( 16 A-113 )
     LYS( 16 A-112 )
     TYR( 16 A-111 )
     ASP( 16 A-110 )
     THR( 16 A-109 )
     LYS( 16 A-108 )
     PRO( 16 A-107 )
     ASP( 16 A-106 )
     HIS( 16 A-105 )
     PRO( 16 A-104 )
     TRP( 16 A-103 )
     GLU( 16 A-102 )
     LYS( 16 A-101 )
     PHE( 16 A-100 )
     PRO( 16 A -99 )
     ASP( 16 A -98 )
     TYR( 16 A -97 )
     ALA( 16 A -96 )
     VAL( 16 A -95 )
     PHE( 16 A -94 )
     ARG( 16 A -93 )
     HIS( 16 A -92 )
     SER( 16 A -91 )
     ASP( 16 A -90 )
     ASN( 16 A -89 )
     ASP( 16 A -88 )
     LYS( 16 A -87 )
     TRP( 16 A -86 )
     TYR( 16 A -85 )
     ALA( 16 A -84 )
     LEU( 16 A -83 )
     LEU( 16 A -82 )
     MET( 16 A -81 )
     ASP( 16 A -80 )
     ILE( 16 A -79 )
     PRO( 16 A -78 )
     ALA( 16 A -77 )
     GLU( 16 A -76 )
     LYS( 16 A -75 )
     ILE( 16 A -74 )
     GLY( 16 A -73 )
     ILE( 16 A -72 )
     ASN( 16 A -71 )
     GLY( 16 A -70 )
     ASP( 16 A -69 )
     LYS( 16 A -68 )
     ARG( 16 A -67 )
     VAL( 16 A -66 )
     ASP( 16 A -65 )
     VAL( 16 A -64 )
     ILE( 16 A -63 )
     ASP( 16 A -62 )
     LEU( 16 A -61 )
     LYS( 16 A -60 )
     VAL( 16 A -59 )
     GLN( 16 A -58 )
     PRO( 16 A -57 )
     GLU( 16 A -56 )
     LEU( 16 A -55 )
     VAL( 16 A -54 )
     GLY( 16 A -53 )
     SER( 16 A -52 )
     LEU( 16 A -51 )
     ARG( 16 A -50 )
     LYS( 16 A -49 )
     LYS( 16 A -48 )
     PRO( 16 A -47 )
     GLY( 16 A -46 )
     ILE( 16 A -45 )
     TYR( 16 A -44 )
     PRO( 16 A -43 )
     ALA( 16 A -42 )
     TYR( 16 A -41 )
     HIS( 16 A -40 )
     MET( 16 A -39 )
     ASN( 16 A -38 )
     LYS( 16 A -37 )
     GLU( 16 A -36 )
     HIS( 16 A -35 )
     TRP( 16 A -34 )
     ILE( 16 A -33 )
     THR( 16 A -32 )
     VAL( 16 A -31 )
     LEU( 16 A -30 )
     LEU( 16 A -29 )
     ASN( 16 A -28 )
     GLY( 16 A -27 )
     PRO( 16 A -26 )
     LEU( 16 A -25 )
     GLY( 16 A -24 )
     ALA( 16 A -23 )
     LYS( 16 A -22 )
     GLU( 16 A -21 )
     ILE( 16 A -20 )
     HIS( 16 A -19 )
     SER( 16 A -18 )
     LEU( 16 A -17 )
     ILE( 16 A -16 )
     GLU( 16 A -15 )
     ASP( 16 A -14 )
     SER( 16 A -13 )
     PHE( 16 A -12 )
     GLN( 16 A -11 )
     LEU( 16 A -10 )
     THR( 16 A  -9 )
     ARG( 16 A  -8 )
     LEU( 16 A  -7 )
     GLU( 16 A  -6 )
     HIS( 16 A  -5 )
     HIS( 16 A  -4 )
     HIS( 16 A  -3 )
     HIS( 16 A  -2 )
     HIS( 16 A  -1 )
     HIS( 16 A   0 )
     MET( 17 A-124 )
     ASN( 17 A-123 )
     ARG( 17 A-122 )
     GLN( 17 A-121 )
     GLN( 17 A-120 )
     PHE( 17 A-119 )
     ILE( 17 A-118 )
     ASP( 17 A-117 )
     TYR( 17 A-116 )
     ALA( 17 A-115 )
     GLN( 17 A-114 )
     LYS( 17 A-113 )
     LYS( 17 A-112 )
     TYR( 17 A-111 )
     ASP( 17 A-110 )
     THR( 17 A-109 )
     LYS( 17 A-108 )
     PRO( 17 A-107 )
     ASP( 17 A-106 )
     HIS( 17 A-105 )
     PRO( 17 A-104 )
     TRP( 17 A-103 )
     GLU( 17 A-102 )
     LYS( 17 A-101 )
     PHE( 17 A-100 )
     PRO( 17 A -99 )
     ASP( 17 A -98 )
     TYR( 17 A -97 )
     ALA( 17 A -96 )
     VAL( 17 A -95 )
     PHE( 17 A -94 )
     ARG( 17 A -93 )
     HIS( 17 A -92 )
     SER( 17 A -91 )
     ASP( 17 A -90 )
     ASN( 17 A -89 )
     ASP( 17 A -88 )
     LYS( 17 A -87 )
     TRP( 17 A -86 )
     TYR( 17 A -85 )
     ALA( 17 A -84 )
     LEU( 17 A -83 )
     LEU( 17 A -82 )
     MET( 17 A -81 )
     ASP( 17 A -80 )
     ILE( 17 A -79 )
     PRO( 17 A -78 )
     ALA( 17 A -77 )
     GLU( 17 A -76 )
     LYS( 17 A -75 )
     ILE( 17 A -74 )
     GLY( 17 A -73 )
     ILE( 17 A -72 )
     ASN( 17 A -71 )
     GLY( 17 A -70 )
     ASP( 17 A -69 )
     LYS( 17 A -68 )
     ARG( 17 A -67 )
     VAL( 17 A -66 )
     ASP( 17 A -65 )
     VAL( 17 A -64 )
     ILE( 17 A -63 )
     ASP( 17 A -62 )
     LEU( 17 A -61 )
     LYS( 17 A -60 )
     VAL( 17 A -59 )
     GLN( 17 A -58 )
     PRO( 17 A -57 )
     GLU( 17 A -56 )
     LEU( 17 A -55 )
     VAL( 17 A -54 )
     GLY( 17 A -53 )
     SER( 17 A -52 )
     LEU( 17 A -51 )
     ARG( 17 A -50 )
     LYS( 17 A -49 )
     LYS( 17 A -48 )
     PRO( 17 A -47 )
     GLY( 17 A -46 )
     ILE( 17 A -45 )
     TYR( 17 A -44 )
     PRO( 17 A -43 )
     ALA( 17 A -42 )
     TYR( 17 A -41 )
     HIS( 17 A -40 )
     MET( 17 A -39 )
     ASN( 17 A -38 )
     LYS( 17 A -37 )
     GLU( 17 A -36 )
     HIS( 17 A -35 )
     TRP( 17 A -34 )
     ILE( 17 A -33 )
     THR( 17 A -32 )
     VAL( 17 A -31 )
     LEU( 17 A -30 )
     LEU( 17 A -29 )
     ASN( 17 A -28 )
     GLY( 17 A -27 )
     PRO( 17 A -26 )
     LEU( 17 A -25 )
     GLY( 17 A -24 )
     ALA( 17 A -23 )
     LYS( 17 A -22 )
     GLU( 17 A -21 )
     ILE( 17 A -20 )
     HIS( 17 A -19 )
     SER( 17 A -18 )
     LEU( 17 A -17 )
     ILE( 17 A -16 )
     GLU( 17 A -15 )
     ASP( 17 A -14 )
     SER( 17 A -13 )
     PHE( 17 A -12 )
     GLN( 17 A -11 )
     LEU( 17 A -10 )
     THR( 17 A  -9 )
     ARG( 17 A  -8 )
     LEU( 17 A  -7 )
     GLU( 17 A  -6 )
     HIS( 17 A  -5 )
     HIS( 17 A  -4 )
     HIS( 17 A  -3 )
     HIS( 17 A  -2 )
     HIS( 17 A  -1 )
     HIS( 17 A   0 )
     MET( 18 A-124 )
     ASN( 18 A-123 )
     ARG( 18 A-122 )
     GLN( 18 A-121 )
     GLN( 18 A-120 )
     PHE( 18 A-119 )
     ILE( 18 A-118 )
     ASP( 18 A-117 )
     TYR( 18 A-116 )
     ALA( 18 A-115 )
     GLN( 18 A-114 )
     LYS( 18 A-113 )
     LYS( 18 A-112 )
     TYR( 18 A-111 )
     ASP( 18 A-110 )
     THR( 18 A-109 )
     LYS( 18 A-108 )
     PRO( 18 A-107 )
     ASP( 18 A-106 )
     HIS( 18 A-105 )
     PRO( 18 A-104 )
     TRP( 18 A-103 )
     GLU( 18 A-102 )
     LYS( 18 A-101 )
     PHE( 18 A-100 )
     PRO( 18 A -99 )
     ASP( 18 A -98 )
     TYR( 18 A -97 )
     ALA( 18 A -96 )
     VAL( 18 A -95 )
     PHE( 18 A -94 )
     ARG( 18 A -93 )
     HIS( 18 A -92 )
     SER( 18 A -91 )
     ASP( 18 A -90 )
     ASN( 18 A -89 )
     ASP( 18 A -88 )
     LYS( 18 A -87 )
     TRP( 18 A -86 )
     TYR( 18 A -85 )
     ALA( 18 A -84 )
     LEU( 18 A -83 )
     LEU( 18 A -82 )
     MET( 18 A -81 )
     ASP( 18 A -80 )
     ILE( 18 A -79 )
     PRO( 18 A -78 )
     ALA( 18 A -77 )
     GLU( 18 A -76 )
     LYS( 18 A -75 )
     ILE( 18 A -74 )
     GLY( 18 A -73 )
     ILE( 18 A -72 )
     ASN( 18 A -71 )
     GLY( 18 A -70 )
     ASP( 18 A -69 )
     LYS( 18 A -68 )
     ARG( 18 A -67 )
     VAL( 18 A -66 )
     ASP( 18 A -65 )
     VAL( 18 A -64 )
     ILE( 18 A -63 )
     ASP( 18 A -62 )
     LEU( 18 A -61 )
     LYS( 18 A -60 )
     VAL( 18 A -59 )
     GLN( 18 A -58 )
     PRO( 18 A -57 )
     GLU( 18 A -56 )
     LEU( 18 A -55 )
     VAL( 18 A -54 )
     GLY( 18 A -53 )
     SER( 18 A -52 )
     LEU( 18 A -51 )
     ARG( 18 A -50 )
     LYS( 18 A -49 )
     LYS( 18 A -48 )
     PRO( 18 A -47 )
     GLY( 18 A -46 )
     ILE( 18 A -45 )
     TYR( 18 A -44 )
     PRO( 18 A -43 )
     ALA( 18 A -42 )
     TYR( 18 A -41 )
     HIS( 18 A -40 )
     MET( 18 A -39 )
     ASN( 18 A -38 )
     LYS( 18 A -37 )
     GLU( 18 A -36 )
     HIS( 18 A -35 )
     TRP( 18 A -34 )
     ILE( 18 A -33 )
     THR( 18 A -32 )
     VAL( 18 A -31 )
     LEU( 18 A -30 )
     LEU( 18 A -29 )
     ASN( 18 A -28 )
     GLY( 18 A -27 )
     PRO( 18 A -26 )
     LEU( 18 A -25 )
     GLY( 18 A -24 )
     ALA( 18 A -23 )
     LYS( 18 A -22 )
     GLU( 18 A -21 )
     ILE( 18 A -20 )
     HIS( 18 A -19 )
     SER( 18 A -18 )
     LEU( 18 A -17 )
     ILE( 18 A -16 )
     GLU( 18 A -15 )
     ASP( 18 A -14 )
     SER( 18 A -13 )
     PHE( 18 A -12 )
     GLN( 18 A -11 )
     LEU( 18 A -10 )
     THR( 18 A  -9 )
     ARG( 18 A  -8 )
     LEU( 18 A  -7 )
     GLU( 18 A  -6 )
     HIS( 18 A  -5 )
     HIS( 18 A  -4 )
     HIS( 18 A  -3 )
     HIS( 18 A  -2 )
     HIS( 18 A  -1 )
     HIS( 18 A   0 )
     MET( 19 A-124 )
     ASN( 19 A-123 )
     ARG( 19 A-122 )
     GLN( 19 A-121 )
     GLN( 19 A-120 )
     PHE( 19 A-119 )
     ILE( 19 A-118 )
     ASP( 19 A-117 )
     TYR( 19 A-116 )
     ALA( 19 A-115 )
     GLN( 19 A-114 )
     LYS( 19 A-113 )
     LYS( 19 A-112 )
     TYR( 19 A-111 )
     ASP( 19 A-110 )
     THR( 19 A-109 )
     LYS( 19 A-108 )
     PRO( 19 A-107 )
     ASP( 19 A-106 )
     HIS( 19 A-105 )
     PRO( 19 A-104 )
     TRP( 19 A-103 )
     GLU( 19 A-102 )
     LYS( 19 A-101 )
     PHE( 19 A-100 )
     PRO( 19 A -99 )
     ASP( 19 A -98 )
     TYR( 19 A -97 )
     ALA( 19 A -96 )
     VAL( 19 A -95 )
     PHE( 19 A -94 )
     ARG( 19 A -93 )
     HIS( 19 A -92 )
     SER( 19 A -91 )
     ASP( 19 A -90 )
     ASN( 19 A -89 )
     ASP( 19 A -88 )
     LYS( 19 A -87 )
     TRP( 19 A -86 )
     TYR( 19 A -85 )
     ALA( 19 A -84 )
     LEU( 19 A -83 )
     LEU( 19 A -82 )
     MET( 19 A -81 )
     ASP( 19 A -80 )
     ILE( 19 A -79 )
     PRO( 19 A -78 )
     ALA( 19 A -77 )
     GLU( 19 A -76 )
     LYS( 19 A -75 )
     ILE( 19 A -74 )
     GLY( 19 A -73 )
     ILE( 19 A -72 )
     ASN( 19 A -71 )
     GLY( 19 A -70 )
     ASP( 19 A -69 )
     LYS( 19 A -68 )
     ARG( 19 A -67 )
     VAL( 19 A -66 )
     ASP( 19 A -65 )
     VAL( 19 A -64 )
     ILE( 19 A -63 )
     ASP( 19 A -62 )
     LEU( 19 A -61 )
     LYS( 19 A -60 )
     VAL( 19 A -59 )
     GLN( 19 A -58 )
     PRO( 19 A -57 )
     GLU( 19 A -56 )
     LEU( 19 A -55 )
     VAL( 19 A -54 )
     GLY( 19 A -53 )
     SER( 19 A -52 )
     LEU( 19 A -51 )
     ARG( 19 A -50 )
     LYS( 19 A -49 )
     LYS( 19 A -48 )
     PRO( 19 A -47 )
     GLY( 19 A -46 )
     ILE( 19 A -45 )
     TYR( 19 A -44 )
     PRO( 19 A -43 )
     ALA( 19 A -42 )
     TYR( 19 A -41 )
     HIS( 19 A -40 )
     MET( 19 A -39 )
     ASN( 19 A -38 )
     LYS( 19 A -37 )
     GLU( 19 A -36 )
     HIS( 19 A -35 )
     TRP( 19 A -34 )
     ILE( 19 A -33 )
     THR( 19 A -32 )
     VAL( 19 A -31 )
     LEU( 19 A -30 )
     LEU( 19 A -29 )
     ASN( 19 A -28 )
     GLY( 19 A -27 )
     PRO( 19 A -26 )
     LEU( 19 A -25 )
     GLY( 19 A -24 )
     ALA( 19 A -23 )
     LYS( 19 A -22 )
     GLU( 19 A -21 )
     ILE( 19 A -20 )
     HIS( 19 A -19 )
     SER( 19 A -18 )
     LEU( 19 A -17 )
     ILE( 19 A -16 )
     GLU( 19 A -15 )
     ASP( 19 A -14 )
     SER( 19 A -13 )
     PHE( 19 A -12 )
     GLN( 19 A -11 )
     LEU( 19 A -10 )
     THR( 19 A  -9 )
     ARG( 19 A  -8 )
     LEU( 19 A  -7 )
     GLU( 19 A  -6 )
     HIS( 19 A  -5 )
     HIS( 19 A  -4 )
     HIS( 19 A  -3 )
     HIS( 19 A  -2 )
     HIS( 19 A  -1 )
     HIS( 19 A   0 )
     MET( 20 A-124 )
     ASN( 20 A-123 )
     ARG( 20 A-122 )
     GLN( 20 A-121 )
     GLN( 20 A-120 )
     PHE( 20 A-119 )
     ILE( 20 A-118 )
     ASP( 20 A-117 )
     TYR( 20 A-116 )
     ALA( 20 A-115 )
     GLN( 20 A-114 )
     LYS( 20 A-113 )
     LYS( 20 A-112 )
     TYR( 20 A-111 )
     ASP( 20 A-110 )
     THR( 20 A-109 )
     LYS( 20 A-108 )
     PRO( 20 A-107 )
     ASP( 20 A-106 )
     HIS( 20 A-105 )
     PRO( 20 A-104 )
     TRP( 20 A-103 )
     GLU( 20 A-102 )
     LYS( 20 A-101 )
     PHE( 20 A-100 )
     PRO( 20 A -99 )
     ASP( 20 A -98 )
     TYR( 20 A -97 )
     ALA( 20 A -96 )
     VAL( 20 A -95 )
     PHE( 20 A -94 )
     ARG( 20 A -93 )
     HIS( 20 A -92 )
     SER( 20 A -91 )
     ASP( 20 A -90 )
     ASN( 20 A -89 )
     ASP( 20 A -88 )
     LYS( 20 A -87 )
     TRP( 20 A -86 )
     TYR( 20 A -85 )
     ALA( 20 A -84 )
     LEU( 20 A -83 )
     LEU( 20 A -82 )
     MET( 20 A -81 )
     ASP( 20 A -80 )
     ILE( 20 A -79 )
     PRO( 20 A -78 )
     ALA( 20 A -77 )
     GLU( 20 A -76 )
     LYS( 20 A -75 )
     ILE( 20 A -74 )
     GLY( 20 A -73 )
     ILE( 20 A -72 )
     ASN( 20 A -71 )
     GLY( 20 A -70 )
     ASP( 20 A -69 )
     LYS( 20 A -68 )
     ARG( 20 A -67 )
     VAL( 20 A -66 )
     ASP( 20 A -65 )
     VAL( 20 A -64 )
     ILE( 20 A -63 )
     ASP( 20 A -62 )
     LEU( 20 A -61 )
     LYS( 20 A -60 )
     VAL( 20 A -59 )
     GLN( 20 A -58 )
     PRO( 20 A -57 )
     GLU( 20 A -56 )
     LEU( 20 A -55 )
     VAL( 20 A -54 )
     GLY( 20 A -53 )
     SER( 20 A -52 )
     LEU( 20 A -51 )
     ARG( 20 A -50 )
     LYS( 20 A -49 )
     LYS( 20 A -48 )
     PRO( 20 A -47 )
     GLY( 20 A -46 )
     ILE( 20 A -45 )
     TYR( 20 A -44 )
     PRO( 20 A -43 )
     ALA( 20 A -42 )
     TYR( 20 A -41 )
     HIS( 20 A -40 )
     MET( 20 A -39 )
     ASN( 20 A -38 )
     LYS( 20 A -37 )
     GLU( 20 A -36 )
     HIS( 20 A -35 )
     TRP( 20 A -34 )
     ILE( 20 A -33 )
     THR( 20 A -32 )
     VAL( 20 A -31 )
     LEU( 20 A -30 )
     LEU( 20 A -29 )
     ASN( 20 A -28 )
     GLY( 20 A -27 )
     PRO( 20 A -26 )
     LEU( 20 A -25 )
     GLY( 20 A -24 )
     ALA( 20 A -23 )
     LYS( 20 A -22 )
     GLU( 20 A -21 )
     ILE( 20 A -20 )
     HIS( 20 A -19 )
     SER( 20 A -18 )
     LEU( 20 A -17 )
     ILE( 20 A -16 )
     GLU( 20 A -15 )
     ASP( 20 A -14 )
     SER( 20 A -13 )
     PHE( 20 A -12 )
     GLN( 20 A -11 )
     LEU( 20 A -10 )
     THR( 20 A  -9 )
     ARG( 20 A  -8 )
     LEU( 20 A  -7 )
     GLU( 20 A  -6 )
     HIS( 20 A  -5 )
     HIS( 20 A  -4 )
     HIS( 20 A  -3 )
     HIS( 20 A  -2 )
     HIS( 20 A  -1 )
     HIS( 20 A   0 )


   PDB Chain_ID: A

           1                                                        15
   SEQRES: MET ASN ARG GLN GLN PHE ILE ASP TYR ALA GLN LYS LYS TYR ASP 
   COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... 
                                                                       

           16                                                       30
   SEQRES: THR LYS PRO ASP HIS PRO TRP GLU LYS PHE PRO ASP TYR ALA VAL 
   COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... 
                                                                       

           31                                                       45
   SEQRES: PHE ARG HIS SER ASP ASN ASP LYS TRP TYR ALA LEU LEU MET ASP 
   COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... 
                                                                       

           46                                                       60
   SEQRES: ILE PRO ALA GLU LYS ILE GLY ILE ASN GLY ASP LYS ARG VAL ASP 
   COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... 
                                                                       

           61                                                       75
   SEQRES: VAL ILE ASP LEU LYS VAL GLN PRO GLU LEU VAL GLY SER LEU ARG 
   COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... 
                                                                       

           76                                                       90
   SEQRES: LYS LYS PRO GLY ILE TYR PRO ALA TYR HIS MET ASN LYS GLU HIS 
   COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... 
                                                                       

           91                                                      105
   SEQRES: TRP ILE THR VAL LEU LEU ASN GLY PRO LEU GLY ALA LYS GLU ILE 
   COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... 
                                                                       

           106                                                     120
   SEQRES: HIS SER LEU ILE GLU ASP SER PHE GLN LEU THR ARG LEU GLU HIS 
   COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... 
                                                                       

           121                                                     135
   SEQRES: HIS HIS HIS HIS HIS MET ASN ARG GLN GLN PHE ILE ASP TYR ALA 
   COORDS: ... ... ... ... ... MET ASN ARG GLN GLN PHE ILE ASP TYR ALA 
                               1                                    10

           136                                                     150
   SEQRES: GLN LYS LYS TYR ASP THR LYS PRO ASP HIS PRO TRP GLU LYS PHE 
   COORDS: GLN LYS LYS TYR ASP THR LYS PRO ASP HIS PRO TRP GLU LYS PHE 
           11                                                       25

           151                                                     165
   SEQRES: PRO ASP TYR ALA VAL PHE ARG HIS SER ASP ASN ASP LYS TRP TYR 
   COORDS: PRO ASP TYR ALA VAL PHE ARG HIS SER ASP ASN ASP LYS TRP TYR 
           26                                                       40

           166                                                     180
   SEQRES: ALA LEU LEU MET ASP ILE PRO ALA GLU LYS ILE GLY ILE ASN GLY 
   COORDS: ALA LEU LEU MET ASP ILE PRO ALA GLU LYS ILE GLY ILE ASN GLY 
           41                                                       55

           181                                                     195
   SEQRES: ASP LYS ARG VAL ASP VAL ILE ASP LEU LYS VAL GLN PRO GLU LEU 
   COORDS: ASP LYS ARG VAL ASP VAL ILE ASP LEU LYS VAL GLN PRO GLU LEU 
           56                                                       70

           196                                                     210
   SEQRES: VAL GLY SER LEU ARG LYS LYS PRO GLY ILE TYR PRO ALA TYR HIS 
   COORDS: VAL GLY SER LEU ARG LYS LYS PRO GLY ILE TYR PRO ALA TYR HIS 
           71                                                       85

           211                                                     225
   SEQRES: MET ASN LYS GLU HIS TRP ILE THR VAL LEU LEU ASN GLY PRO LEU 
   COORDS: MET ASN LYS GLU HIS TRP ILE THR VAL LEU LEU ASN GLY PRO LEU 
           86                                                      100

           226                                                     240
   SEQRES: GLY ALA LYS GLU ILE HIS SER LEU ILE GLU ASP SER PHE GLN LEU 
   COORDS: GLY ALA LYS GLU ILE HIS SER LEU ILE GLU ASP SER PHE GLN LEU 
           101                                                     115

           241                                 250
   SEQRES: THR ARG LEU GLU HIS HIS HIS HIS HIS HIS 
   COORDS: THR ARG LEU GLU HIS HIS HIS HIS HIS HIS 
           116                                 125


==> The following residues have missing atoms:                        

     RES MOD#C SEQ          ATOMS

     ASP(  1 A   8)         HD2 
     ASP(  1 A  15)         HD2 
     ASP(  1 A  19)         HD2 
     HIS(  1 A  20)         HE2 
     GLU(  1 A  23)         HE2 
     ASP(  1 A  27)         HD2 
     HIS(  1 A  33)         HE2 
     ASP(  1 A  35)         HD2 
     ASP(  1 A  37)         HD2 
     ASP(  1 A  45)         HD2 
     GLU(  1 A  49)         HE2 
     ASP(  1 A  56)         HD2 
     ASP(  1 A  60)         HD2 
     ASP(  1 A  63)         HD2 
     GLU(  1 A  69)         HE2 
     HIS(  1 A  85)         HE2 
     GLU(  1 A  89)         HE2 
     HIS(  1 A  90)         HD1 
     GLU(  1 A 104)         HE2 
     HIS(  1 A 106)         HD1 
     GLU(  1 A 110)         HE2 
     ASP(  1 A 111)         HD2 
     GLU(  1 A 119)         HE2 
     HIS(  1 A 120)         HD1 
     HIS(  1 A 121)         HD1 
     HIS(  1 A 122)         HD1 
     HIS(  1 A 123)         HE2 
     HIS(  1 A 124)         HE2 
     HIS(  1 A 125)         HD1 
     ASP(  2 A   8)         HD2 
     ASP(  2 A  15)         HD2 
     ASP(  2 A  19)         HD2 
     HIS(  2 A  20)         HD1 
     GLU(  2 A  23)         HE2 
     ASP(  2 A  27)         HD2 
     HIS(  2 A  33)         HD1 
     ASP(  2 A  35)         HD2 
     ASP(  2 A  37)         HD2 
     ASP(  2 A  45)         HD2 
     GLU(  2 A  49)         HE2 
     ASP(  2 A  56)         HD2 
     ASP(  2 A  60)         HD2 
     ASP(  2 A  63)         HD2 
     GLU(  2 A  69)         HE2 
     HIS(  2 A  85)         HD1 
     GLU(  2 A  89)         HE2 
     HIS(  2 A  90)         HE2 
     GLU(  2 A 104)         HE2 
     HIS(  2 A 106)         HE2 
     GLU(  2 A 110)         HE2 
     ASP(  2 A 111)         HD2 
     GLU(  2 A 119)         HE2 
     HIS(  2 A 120)         HD1 
     HIS(  2 A 121)         HE2 
     HIS(  2 A 122)         HD1 
     HIS(  2 A 123)         HE2 
     HIS(  2 A 124)         HD1 
     HIS(  2 A 125)         HD1 
     ASP(  3 A   8)         HD2 
     ASP(  3 A  15)         HD2 
     ASP(  3 A  19)         HD2 
     HIS(  3 A  20)         HD1 
     GLU(  3 A  23)         HE2 
     ASP(  3 A  27)         HD2 
     HIS(  3 A  33)         HE2 
     ASP(  3 A  35)         HD2 
     ASP(  3 A  37)         HD2 
     ASP(  3 A  45)         HD2 
     GLU(  3 A  49)         HE2 
     ASP(  3 A  56)         HD2 
     ASP(  3 A  60)         HD2 
     ASP(  3 A  63)         HD2 
     GLU(  3 A  69)         HE2 
     HIS(  3 A  85)         HE2 
     GLU(  3 A  89)         HE2 
     HIS(  3 A  90)         HD1 
     GLU(  3 A 104)         HE2 
     HIS(  3 A 106)         HE2 
     GLU(  3 A 110)         HE2 
     ASP(  3 A 111)         HD2 
     GLU(  3 A 119)         HE2 
     HIS(  3 A 120)         HD1 
     HIS(  3 A 121)         HE2 
     HIS(  3 A 122)         HE2 
     HIS(  3 A 123)         HD1 
     HIS(  3 A 124)         HD1 
     HIS(  3 A 125)         HD1 
     ASP(  4 A   8)         HD2 
     ASP(  4 A  15)         HD2 
     ASP(  4 A  19)         HD2 
     HIS(  4 A  20)         HE2 
     GLU(  4 A  23)         HE2 
     ASP(  4 A  27)         HD2 
     HIS(  4 A  33)         HE2 
     ASP(  4 A  35)         HD2 
     ASP(  4 A  37)         HD2 
     ASP(  4 A  45)         HD2 
     GLU(  4 A  49)         HE2 
     ASP(  4 A  56)         HD2 
     ASP(  4 A  60)         HD2 
     ASP(  4 A  63)         HD2 
     GLU(  4 A  69)         HE2 
     HIS(  4 A  85)         HD1 
     GLU(  4 A  89)         HE2 
     HIS(  4 A  90)         HD1 
     GLU(  4 A 104)         HE2 
     HIS(  4 A 106)         HE2 
     GLU(  4 A 110)         HE2 
     ASP(  4 A 111)         HD2 
     GLU(  4 A 119)         HE2 
     HIS(  4 A 120)         HE2 
     HIS(  4 A 121)         HE2 
     HIS(  4 A 122)         HD1 
     HIS(  4 A 123)         HD1 
     HIS(  4 A 124)         HE2 
     HIS(  4 A 125)         HD1 
     ASP(  5 A   8)         HD2 
     ASP(  5 A  15)         HD2 
     ASP(  5 A  19)         HD2 
     HIS(  5 A  20)         HE2 
     GLU(  5 A  23)         HE2 
     ASP(  5 A  27)         HD2 
     HIS(  5 A  33)         HD1 
     ASP(  5 A  35)         HD2 
     ASP(  5 A  37)         HD2 
     ASP(  5 A  45)         HD2 
     GLU(  5 A  49)         HE2 
     ASP(  5 A  56)         HD2 
     ASP(  5 A  60)         HD2 
     ASP(  5 A  63)         HD2 
     GLU(  5 A  69)         HE2 
     HIS(  5 A  85)         HE2 
     GLU(  5 A  89)         HE2 
     HIS(  5 A  90)         HD1 
     GLU(  5 A 104)         HE2 
     HIS(  5 A 106)         HE2 
     GLU(  5 A 110)         HE2 
     ASP(  5 A 111)         HD2 
     GLU(  5 A 119)         HE2 
     HIS(  5 A 120)         HD1 
     HIS(  5 A 121)         HD1 
     HIS(  5 A 122)         HE2 
     HIS(  5 A 123)         HD1 
     HIS(  5 A 124)         HD1 
     HIS(  5 A 125)         HE2 
     ASP(  6 A   8)         HD2 
     ASP(  6 A  15)         HD2 
     ASP(  6 A  19)         HD2 
     HIS(  6 A  20)         HE2 
     GLU(  6 A  23)         HE2 
     ASP(  6 A  27)         HD2 
     HIS(  6 A  33)         HD1 
     ASP(  6 A  35)         HD2 
     ASP(  6 A  37)         HD2 
     ASP(  6 A  45)         HD2 
     GLU(  6 A  49)         HE2 
     ASP(  6 A  56)         HD2 
     ASP(  6 A  60)         HD2 
     ASP(  6 A  63)         HD2 
     GLU(  6 A  69)         HE2 
     HIS(  6 A  85)         HE2 
     GLU(  6 A  89)         HE2 
     HIS(  6 A  90)         HD1 
     GLU(  6 A 104)         HE2 
     HIS(  6 A 106)         HE2 
     GLU(  6 A 110)         HE2 
     ASP(  6 A 111)         HD2 
     GLU(  6 A 119)         HE2 
     HIS(  6 A 120)         HE2 
     HIS(  6 A 121)         HD1 
     HIS(  6 A 122)         HD1 
     HIS(  6 A 123)         HE2 
     HIS(  6 A 124)         HD1 
     HIS(  6 A 125)         HD1 
     ASP(  7 A   8)         HD2 
     ASP(  7 A  15)         HD2 
     ASP(  7 A  19)         HD2 
     HIS(  7 A  20)         HE2 
     GLU(  7 A  23)         HE2 
     ASP(  7 A  27)         HD2 
     HIS(  7 A  33)         HE2 
     ASP(  7 A  35)         HD2 
     ASP(  7 A  37)         HD2 
     ASP(  7 A  45)         HD2 
     GLU(  7 A  49)         HE2 
     ASP(  7 A  56)         HD2 
     ASP(  7 A  60)         HD2 
     ASP(  7 A  63)         HD2 
     GLU(  7 A  69)         HE2 
     HIS(  7 A  85)         HD1 
     GLU(  7 A  89)         HE2 
     HIS(  7 A  90)         HD1 
     GLU(  7 A 104)         HE2 
     HIS(  7 A 106)         HE2 
     GLU(  7 A 110)         HE2 
     ASP(  7 A 111)         HD2 
     GLU(  7 A 119)         HE2 
     HIS(  7 A 120)         HE2 
     HIS(  7 A 121)         HD1 
     HIS(  7 A 122)         HE2 
     HIS(  7 A 123)         HE2 
     HIS(  7 A 124)         HE2 
     HIS(  7 A 125)         HD1 
     ASP(  8 A   8)         HD2 
     ASP(  8 A  15)         HD2 
     ASP(  8 A  19)         HD2 
     HIS(  8 A  20)         HE2 
     GLU(  8 A  23)         HE2 
     ASP(  8 A  27)         HD2 
     HIS(  8 A  33)         HD1 
     ASP(  8 A  35)         HD2 
     ASP(  8 A  37)         HD2 
     ASP(  8 A  45)         HD2 
     GLU(  8 A  49)         HE2 
     ASP(  8 A  56)         HD2 
     ASP(  8 A  60)         HD2 
     ASP(  8 A  63)         HD2 
     GLU(  8 A  69)         HE2 
     HIS(  8 A  85)         HD1 
     GLU(  8 A  89)         HE2 
     HIS(  8 A  90)         HD1 
     GLU(  8 A 104)         HE2 
     HIS(  8 A 106)         HE2 
     GLU(  8 A 110)         HE2 
     ASP(  8 A 111)         HD2 
     GLU(  8 A 119)         HE2 
     HIS(  8 A 120)         HE2 
     HIS(  8 A 121)         HD1 
     HIS(  8 A 122)         HD1 
     HIS(  8 A 123)         HE2 
     HIS(  8 A 124)         HD1 
     HIS(  8 A 125)         HD1 
     ASP(  9 A   8)         HD2 
     ASP(  9 A  15)         HD2 
     ASP(  9 A  19)         HD2 
     HIS(  9 A  20)         HE2 
     GLU(  9 A  23)         HE2 
     ASP(  9 A  27)         HD2 
     HIS(  9 A  33)         HD1 
     ASP(  9 A  35)         HD2 
     ASP(  9 A  37)         HD2 
     ASP(  9 A  45)         HD2 
     GLU(  9 A  49)         HE2 
     ASP(  9 A  56)         HD2 
     ASP(  9 A  60)         HD2 
     ASP(  9 A  63)         HD2 
     GLU(  9 A  69)         HE2 
     HIS(  9 A  85)         HD1 
     GLU(  9 A  89)         HE2 
     HIS(  9 A  90)         HD1 
     GLU(  9 A 104)         HE2 
     HIS(  9 A 106)         HD1 
     GLU(  9 A 110)         HE2 
     ASP(  9 A 111)         HD2 
     GLU(  9 A 119)         HE2 
     HIS(  9 A 120)         HE2 
     HIS(  9 A 121)         HE2 
     HIS(  9 A 122)         HD1 
     HIS(  9 A 123)         HE2 
     HIS(  9 A 124)         HD1 
     HIS(  9 A 125)         HD1 
     ASP( 10 A   8)         HD2 
     ASP( 10 A  15)         HD2 
     ASP( 10 A  19)         HD2 
     HIS( 10 A  20)         HE2 
     GLU( 10 A  23)         HE2 
     ASP( 10 A  27)         HD2 
     HIS( 10 A  33)         HE2 
     ASP( 10 A  35)         HD2 
     ASP( 10 A  37)         HD2 
     ASP( 10 A  45)         HD2 
     GLU( 10 A  49)         HE2 
     ASP( 10 A  56)         HD2 
     ASP( 10 A  60)         HD2 
     ASP( 10 A  63)         HD2 
     GLU( 10 A  69)         HE2 
     HIS( 10 A  85)         HD1 
     GLU( 10 A  89)         HE2 
     HIS( 10 A  90)         HD1 
     GLU( 10 A 104)         HE2 
     HIS( 10 A 106)         HE2 
     GLU( 10 A 110)         HE2 
     ASP( 10 A 111)         HD2 
     GLU( 10 A 119)         HE2 
     HIS( 10 A 120)         HE2 
     HIS( 10 A 121)         HD1 
     HIS( 10 A 122)         HD1 
     HIS( 10 A 123)         HD1 
     HIS( 10 A 124)         HE2 
     HIS( 10 A 125)         HD1 
     ASP( 11 A   8)         HD2 
     ASP( 11 A  15)         HD2 
     ASP( 11 A  19)         HD2 
     HIS( 11 A  20)         HE2 
     GLU( 11 A  23)         HE2 
     ASP( 11 A  27)         HD2 
     HIS( 11 A  33)         HD1 
     ASP( 11 A  35)         HD2 
     ASP( 11 A  37)         HD2 
     ASP( 11 A  45)         HD2 
     GLU( 11 A  49)         HE2 
     ASP( 11 A  56)         HD2 
     ASP( 11 A  60)         HD2 
     ASP( 11 A  63)         HD2 
     GLU( 11 A  69)         HE2 
     HIS( 11 A  85)         HE2 
     GLU( 11 A  89)         HE2 
     HIS( 11 A  90)         HE2 
     GLU( 11 A 104)         HE2 
     HIS( 11 A 106)         HE2 
     GLU( 11 A 110)         HE2 
     ASP( 11 A 111)         HD2 
     GLU( 11 A 119)         HE2 
     HIS( 11 A 120)         HE2 
     HIS( 11 A 121)         HD1 
     HIS( 11 A 122)         HE2 
     HIS( 11 A 123)         HD1 
     HIS( 11 A 124)         HE2 
     HIS( 11 A 125)         HE2 
     ASP( 12 A   8)         HD2 
     ASP( 12 A  15)         HD2 
     ASP( 12 A  19)         HD2 
     HIS( 12 A  20)         HE2 
     GLU( 12 A  23)         HE2 
     ASP( 12 A  27)         HD2 
     HIS( 12 A  33)         HE2 
     ASP( 12 A  35)         HD2 
     ASP( 12 A  37)         HD2 
     ASP( 12 A  45)         HD2 
     GLU( 12 A  49)         HE2 
     ASP( 12 A  56)         HD2 
     ASP( 12 A  60)         HD2 
     ASP( 12 A  63)         HD2 
     GLU( 12 A  69)         HE2 
     HIS( 12 A  85)         HD1 
     GLU( 12 A  89)         HE2 
     HIS( 12 A  90)         HD1 
     GLU( 12 A 104)         HE2 
     HIS( 12 A 106)         HE2 
     GLU( 12 A 110)         HE2 
     ASP( 12 A 111)         HD2 
     GLU( 12 A 119)         HE2 
     HIS( 12 A 120)         HE2 
     HIS( 12 A 121)         HE2 
     HIS( 12 A 122)         HE2 
     HIS( 12 A 123)         HE2 
     HIS( 12 A 124)         HD1 
     HIS( 12 A 125)         HD1 
     ASP( 13 A   8)         HD2 
     ASP( 13 A  15)         HD2 
     ASP( 13 A  19)         HD2 
     HIS( 13 A  20)         HE2 
     GLU( 13 A  23)         HE2 
     ASP( 13 A  27)         HD2 
     HIS( 13 A  33)         HD1 
     ASP( 13 A  35)         HD2 
     ASP( 13 A  37)         HD2 
     ASP( 13 A  45)         HD2 
     GLU( 13 A  49)         HE2 
     ASP( 13 A  56)         HD2 
     ASP( 13 A  60)         HD2 
     ASP( 13 A  63)         HD2 
     GLU( 13 A  69)         HE2 
     HIS( 13 A  85)         HE2 
     GLU( 13 A  89)         HE2 
     HIS( 13 A  90)         HD1 
     GLU( 13 A 104)         HE2 
     HIS( 13 A 106)         HE2 
     GLU( 13 A 110)         HE2 
     ASP( 13 A 111)         HD2 
     GLU( 13 A 119)         HE2 
     HIS( 13 A 120)         HE2 
     HIS( 13 A 121)         HD1 
     HIS( 13 A 122)         HE2 
     HIS( 13 A 123)         HD1 
     HIS( 13 A 124)         HD1 
     HIS( 13 A 125)         HE2 
     ASP( 14 A   8)         HD2 
     ASP( 14 A  15)         HD2 
     ASP( 14 A  19)         HD2 
     HIS( 14 A  20)         HE2 
     GLU( 14 A  23)         HE2 
     ASP( 14 A  27)         HD2 
     HIS( 14 A  33)         HE2 
     ASP( 14 A  35)         HD2 
     ASP( 14 A  37)         HD2 
     ASP( 14 A  45)         HD2 
     GLU( 14 A  49)         HE2 
     ASP( 14 A  56)         HD2 
     ASP( 14 A  60)         HD2 
     ASP( 14 A  63)         HD2 
     GLU( 14 A  69)         HE2 
     HIS( 14 A  85)         HD1 
     GLU( 14 A  89)         HE2 
     HIS( 14 A  90)         HD1 
     GLU( 14 A 104)         HE2 
     HIS( 14 A 106)         HE2 
     GLU( 14 A 110)         HE2 
     ASP( 14 A 111)         HD2 
     GLU( 14 A 119)         HE2 
     HIS( 14 A 120)         HE2 
     HIS( 14 A 121)         HE2 
     HIS( 14 A 122)         HE2 
     HIS( 14 A 123)         HD1 
     HIS( 14 A 124)         HD1 
     HIS( 14 A 125)         HD1 
     ASP( 15 A   8)         HD2 
     ASP( 15 A  15)         HD2 
     ASP( 15 A  19)         HD2 
     HIS( 15 A  20)         HE2 
     GLU( 15 A  23)         HE2 
     ASP( 15 A  27)         HD2 
     HIS( 15 A  33)         HE2 
     ASP( 15 A  35)         HD2 
     ASP( 15 A  37)         HD2 
     ASP( 15 A  45)         HD2 
     GLU( 15 A  49)         HE2 
     ASP( 15 A  56)         HD2 
     ASP( 15 A  60)         HD2 
     ASP( 15 A  63)         HD2 
     GLU( 15 A  69)         HE2 
     HIS( 15 A  85)         HD1 
     GLU( 15 A  89)         HE2 
     HIS( 15 A  90)         HD1 
     GLU( 15 A 104)         HE2 
     HIS( 15 A 106)         HE2 
     GLU( 15 A 110)         HE2 
     ASP( 15 A 111)         HD2 
     GLU( 15 A 119)         HE2 
     HIS( 15 A 120)         HE2 
     HIS( 15 A 121)         HE2 
     HIS( 15 A 122)         HE2 
     HIS( 15 A 123)         HD1 
     HIS( 15 A 124)         HD1 
     HIS( 15 A 125)         HD1 
     ASP( 16 A   8)         HD2 
     ASP( 16 A  15)         HD2 
     ASP( 16 A  19)         HD2 
     HIS( 16 A  20)         HE2 
     GLU( 16 A  23)         HE2 
     ASP( 16 A  27)         HD2 
     HIS( 16 A  33)         HD1 
     ASP( 16 A  35)         HD2 
     ASP( 16 A  37)         HD2 
     ASP( 16 A  45)         HD2 
     GLU( 16 A  49)         HE2 
     ASP( 16 A  56)         HD2 
     ASP( 16 A  60)         HD2 
     ASP( 16 A  63)         HD2 
     GLU( 16 A  69)         HE2 
     HIS( 16 A  85)         HE2 
     GLU( 16 A  89)         HE2 
     HIS( 16 A  90)         HD1 
     GLU( 16 A 104)         HE2 
     HIS( 16 A 106)         HE2 
     GLU( 16 A 110)         HE2 
     ASP( 16 A 111)         HD2 
     GLU( 16 A 119)         HE2 
     HIS( 16 A 120)         HD1 
     HIS( 16 A 121)         HE2 
     HIS( 16 A 122)         HE2 
     HIS( 16 A 123)         HD1 
     HIS( 16 A 124)         HD1 
     HIS( 16 A 125)         HD1 
     ASP( 17 A   8)         HD2 
     ASP( 17 A  15)         HD2 
     ASP( 17 A  19)         HD2 
     HIS( 17 A  20)         HE2 
     GLU( 17 A  23)         HE2 
     ASP( 17 A  27)         HD2 
     HIS( 17 A  33)         HD1 
     ASP( 17 A  35)         HD2 
     ASP( 17 A  37)         HD2 
     ASP( 17 A  45)         HD2 
     GLU( 17 A  49)         HE2 
     ASP( 17 A  56)         HD2 
     ASP( 17 A  60)         HD2 
     ASP( 17 A  63)         HD2 
     GLU( 17 A  69)         HE2 
     HIS( 17 A  85)         HE2 
     GLU( 17 A  89)         HE2 
     HIS( 17 A  90)         HD1 
     GLU( 17 A 104)         HE2 
     HIS( 17 A 106)         HE2 
     GLU( 17 A 110)         HE2 
     ASP( 17 A 111)         HD2 
     GLU( 17 A 119)         HE2 
     HIS( 17 A 120)         HD1 
     HIS( 17 A 121)         HE2 
     HIS( 17 A 122)         HD1 
     HIS( 17 A 123)         HE2 
     HIS( 17 A 124)         HD1 
     HIS( 17 A 125)         HD1 
     ASP( 18 A   8)         HD2 
     ASP( 18 A  15)         HD2 
     ASP( 18 A  19)         HD2 
     HIS( 18 A  20)         HE2 
     GLU( 18 A  23)         HE2 
     ASP( 18 A  27)         HD2 
     HIS( 18 A  33)         HD1 
     ASP( 18 A  35)         HD2 
     ASP( 18 A  37)         HD2 
     ASP( 18 A  45)         HD2 
     GLU( 18 A  49)         HE2 
     ASP( 18 A  56)         HD2 
     ASP( 18 A  60)         HD2 
     ASP( 18 A  63)         HD2 
     GLU( 18 A  69)         HE2 
     HIS( 18 A  85)         HD1 
     GLU( 18 A  89)         HE2 
     HIS( 18 A  90)         HD1 
     GLU( 18 A 104)         HE2 
     HIS( 18 A 106)         HE2 
     GLU( 18 A 110)         HE2 
     ASP( 18 A 111)         HD2 
     GLU( 18 A 119)         HE2 
     HIS( 18 A 120)         HE2 
     HIS( 18 A 121)         HD1 
     HIS( 18 A 122)         HD1 
     HIS( 18 A 123)         HD1 
     HIS( 18 A 124)         HD1 
     HIS( 18 A 125)         HE2 
     ASP( 19 A   8)         HD2 
     ASP( 19 A  15)         HD2 
     ASP( 19 A  19)         HD2 
     HIS( 19 A  20)         HE2 
     GLU( 19 A  23)         HE2 
     ASP( 19 A  27)         HD2 
     HIS( 19 A  33)         HD1 
     ASP( 19 A  35)         HD2 
     ASP( 19 A  37)         HD2 
     ASP( 19 A  45)         HD2 
     GLU( 19 A  49)         HE2 
     ASP( 19 A  56)         HD2 
     ASP( 19 A  60)         HD2 
     ASP( 19 A  63)         HD2 
     GLU( 19 A  69)         HE2 
     HIS( 19 A  85)         HD1 
     GLU( 19 A  89)         HE2 
     HIS( 19 A  90)         HD1 
     GLU( 19 A 104)         HE2 
     HIS( 19 A 106)         HE2 
     GLU( 19 A 110)         HE2 
     ASP( 19 A 111)         HD2 
     GLU( 19 A 119)         HE2 
     HIS( 19 A 120)         HD1 
     HIS( 19 A 121)         HD1 
     HIS( 19 A 122)         HE2 
     HIS( 19 A 123)         HD1 
     HIS( 19 A 124)         HE2 
     HIS( 19 A 125)         HD1 
     ASP( 20 A   8)         HD2 
     ASP( 20 A  15)         HD2 
     ASP( 20 A  19)         HD2 
     HIS( 20 A  20)         HE2 
     GLU( 20 A  23)         HE2 
     ASP( 20 A  27)         HD2 
     HIS( 20 A  33)         HE2 
     ASP( 20 A  35)         HD2 
     ASP( 20 A  37)         HD2 
     ASP( 20 A  45)         HD2 
     GLU( 20 A  49)         HE2 
     ASP( 20 A  56)         HD2 
     ASP( 20 A  60)         HD2 
     ASP( 20 A  63)         HD2 
     GLU( 20 A  69)         HE2 
     HIS( 20 A  85)         HD1 
     GLU( 20 A  89)         HE2 
     HIS( 20 A  90)         HD1 
     GLU( 20 A 104)         HE2 
     HIS( 20 A 106)         HD1 
     GLU( 20 A 110)         HE2 
     ASP( 20 A 111)         HD2 
     GLU( 20 A 119)         HE2 
     HIS( 20 A 120)         HE2 
     HIS( 20 A 121)         HE2 
     HIS( 20 A 122)         HE2 
     HIS( 20 A 123)         HD1 
     HIS( 20 A 124)         HE2 
     HIS( 20 A 125)         HE2 
==> The following residues have extra atoms:                         
    
     RES MOD#C SEQ          ATOMS
    
     HIS(  1 A 125)          O2 
     HIS(  2 A 125)          O2 
     HIS(  3 A 125)          O2 
     HIS(  4 A 125)          O2 
     HIS(  5 A 125)          O2 
     HIS(  6 A 125)          O2 
     HIS(  7 A 125)          O2 
     HIS(  8 A 125)          O2 
     HIS(  9 A 125)          O2 
     HIS( 10 A 125)          O2 
     HIS( 11 A 125)          O2 
     HIS( 12 A 125)          O2 
     HIS( 13 A 125)          O2 
     HIS( 14 A 125)          O2 
     HIS( 15 A 125)          O2 
     HIS( 16 A 125)          O2 
     HIS( 17 A 125)          O2 
     HIS( 18 A 125)          O2 
     HIS( 19 A 125)          O2 
     HIS( 20 A 125)          O2 



    CHECK TERMINAL ATOMS
    --------------------

Terminal atom(s) showed in middle of sequence will be deleted:

1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A

PSR293_R3_em_bcr3.pdb: Missing KEYWDS records

PSR293_R3_em_bcr3.pdb: Missing TITLE record