Detailed results of SR478_R3_em_bcr3 by PSVS
Output from PDBStat
Constraints analysis
table of NOE constraints
# -------------- SUMMARY OF RESTRAINTS ---------------
# TOTAL NUMBER OF NOE RESTRAINTS : 870
# INTRA-RESIDUE RESTRAINTS (I=J) : 188
# SEQUENTIAL RESTRAINTS (I-J)=1 : 232
# BACKBONE-BACKBONE : 62
# BACKBONE-SIDE CHAIN : 43
# SIDE CHAIN-SIDE CHAIN : 127
# MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 271
# BACKBONE-BACKBONE : 75
# BACKBONE-SIDE CHAIN : 74
# SIDE CHAIN-SIDE CHAIN : 122
# LONG RANGE RESTRAINTS (I-J)>=5 : 179
# TOTAL HYDROGEN BOND RESTRAINTS : 0
# LONG RANGE H-BOND RESTR. (I-J)>=5 : 0
# DISULFIDE RESTRAINTS : 0
# INTRA-CHAIN RESTRAINTS : 870
# INTER-CHAIN RESTRAINTS : 0
# AMBIGUOUS RESTRAINTS : 0
# -----------------------------------------------------
# -----------------------------------------------------
# -----------------------------------------------------
# RES # INTRA INTER seq med lng InterChain
MET 1 0 0.0 0.0 0.0 0.0 0.0
SER 2 0 1.5 1.5 0.0 0.0 0.0
GLU 3 0 4.5 4.5 0.0 0.0 0.0
LEU 4 9 11.5 3.0 1.0 7.5 0.0
PHE 5 0 0.0 0.0 0.0 0.0 0.0
SER 6 0 1.5 0.5 1.0 0.0 0.0
VAL 7 6 6.5 1.0 2.0 3.5 0.0
PRO 8 0 5.0 1.0 4.0 0.0 0.0
TYR 9 1 9.5 3.5 1.0 5.0 0.0
PHE 10 1 15.5 3.5 2.0 10.0 0.0
ILE 11 5 19.0 2.5 8.0 8.5 0.0
GLU 12 3 5.5 3.5 2.0 0.0 0.0
ASN 13 0 6.0 2.5 2.5 1.0 0.0
LEU 14 5 22.0 2.0 7.0 13.0 0.0
LYS 15 1 6.5 2.0 4.5 0.0 0.0
GLN 16 1 7.5 2.5 2.5 2.5 0.0
HIS 17 0 7.0 2.0 3.5 1.5 0.0
ILE 18 5 16.0 2.5 6.0 7.5 0.0
GLU 19 2 4.5 2.5 1.5 0.5 0.0
MET 20 1 5.5 1.5 4.0 0.0 0.0
ASN 21 1 6.5 3.0 2.0 1.5 0.0
GLN 22 3 6.5 4.5 1.0 1.0 0.0
SER 23 0 4.0 3.5 0.5 0.0 0.0
GLU 24 3 9.0 3.0 2.0 4.0 0.0
ASP 25 0 6.5 3.0 2.0 1.5 0.0
LYS 26 7 9.5 4.0 2.0 3.5 0.0
ILE 27 6 15.0 4.0 3.0 8.0 0.0
HIS 28 0 3.0 1.5 1.5 0.0 0.0
ALA 29 0 14.5 1.5 7.0 6.0 0.0
MET 30 0 11.5 2.0 4.0 5.5 0.0
ASN 31 0 4.0 1.5 2.5 0.0 0.0
SER 32 0 3.0 1.5 1.0 0.5 0.0
TYR 33 4 19.5 3.0 7.0 9.5 0.0
TYR 34 4 12.5 2.5 4.5 5.5 0.0
ARG 35 1 1.5 1.0 0.5 0.0 0.0
SER 36 0 2.5 1.5 1.0 0.0 0.0
VAL 37 5 21.5 5.0 8.0 8.5 0.0
VAL 38 1 15.0 5.5 7.0 2.5 0.0
SER 39 1 6.5 3.5 3.0 0.0 0.0
THR 40 2 14.0 6.0 8.0 0.0 0.0
LEU 41 4 14.5 5.0 7.0 2.5 0.0
VAL 42 4 14.0 4.5 6.5 3.0 0.0
GLN 43 1 7.5 4.5 3.0 0.0 0.0
ASP 44 1 5.5 1.5 4.0 0.0 0.0
GLN 45 2 5.5 3.5 1.0 1.0 0.0
LEU 46 10 8.0 5.5 2.0 0.5 0.0
THR 47 3 12.0 5.5 5.5 1.0 0.0
LYS 48 2 17.5 6.0 11.5 0.0 0.0
ASN 49 3 9.0 5.0 4.0 0.0 0.0
ALA 50 1 10.5 4.5 6.0 0.0 0.0
VAL 51 6 18.5 5.0 13.0 0.5 0.0
VAL 52 7 17.0 5.5 7.5 4.0 0.0
LEU 53 8 13.5 4.5 9.0 0.0 0.0
LYS 54 6 10.5 2.5 8.0 0.0 0.0
ARG 55 0 5.5 1.5 3.0 1.0 0.0
ILE 56 2 16.0 3.5 10.0 2.5 0.0
GLN 57 0 7.5 3.0 4.5 0.0 0.0
HIS 58 0 2.5 1.0 1.5 0.0 0.0
LEU 59 4 17.5 3.5 4.5 9.5 0.0
ASP 60 0 7.5 4.0 2.5 1.0 0.0
GLU 61 3 11.5 2.5 2.5 6.5 0.0
ALA 62 0 14.0 2.5 2.5 9.0 0.0
TYR 63 3 13.0 4.0 4.5 4.5 0.0
ASN 64 0 5.0 2.5 2.0 0.5 0.0
LYS 65 0 4.0 1.0 3.0 0.0 0.0
VAL 66 6 11.0 3.0 2.5 5.5 0.0
LYS 67 3 14.0 4.5 5.5 4.0 0.0
ARG 68 5 8.5 4.5 3.5 0.5 0.0
GLY 69 1 7.0 4.5 1.5 1.0 0.0
GLU 70 3 10.0 3.5 4.5 2.0 0.0
SER 71 1 4.5 3.0 0.5 1.0 0.0
LYS 72 6 4.5 3.5 1.0 0.0 0.0
LEU 73 10 6.5 5.0 1.5 0.0 0.0
GLU 74 5 5.5 4.5 1.0 0.0 0.0
HIS 75 0 2.0 1.0 1.0 0.0 0.0
HIS 76 0 0.0 0.0 0.0 0.0 0.0
HIS 77 0 0.0 0.0 0.0 0.0 0.0
HIS 78 0 0.0 0.0 0.0 0.0 0.0
HIS 79 0 0.0 0.0 0.0 0.0 0.0
HIS 80 0 0.0 0.0 0.0 0.0 0.0
MET 1 0 0.0 0.0 0.0 0.0 0.0
SER 2 0 0.0 0.0 0.0 0.0 0.0
GLU 3 0 0.0 0.0 0.0 0.0 0.0
LEU 4 0 0.0 0.0 0.0 0.0 0.0
PHE 5 0 0.0 0.0 0.0 0.0 0.0
SER 6 0 0.0 0.0 0.0 0.0 0.0
VAL 7 0 0.0 0.0 0.0 0.0 0.0
PRO 8 0 0.0 0.0 0.0 0.0 0.0
TYR 9 0 0.0 0.0 0.0 0.0 0.0
PHE 10 0 0.0 0.0 0.0 0.0 0.0
ILE 11 0 0.0 0.0 0.0 0.0 0.0
GLU 12 0 0.0 0.0 0.0 0.0 0.0
ASN 13 0 0.0 0.0 0.0 0.0 0.0
LEU 14 0 0.0 0.0 0.0 0.0 0.0
LYS 15 0 0.0 0.0 0.0 0.0 0.0
GLN 16 0 0.0 0.0 0.0 0.0 0.0
HIS 17 0 0.0 0.0 0.0 0.0 0.0
ILE 18 0 0.0 0.0 0.0 0.0 0.0
GLU 19 0 0.0 0.0 0.0 0.0 0.0
MET 20 0 0.0 0.0 0.0 0.0 0.0
ASN 21 0 0.0 0.0 0.0 0.0 0.0
GLN 22 0 0.0 0.0 0.0 0.0 0.0
SER 23 0 0.0 0.0 0.0 0.0 0.0
GLU 24 0 0.0 0.0 0.0 0.0 0.0
ASP 25 0 0.0 0.0 0.0 0.0 0.0
LYS 26 0 0.0 0.0 0.0 0.0 0.0
ILE 27 0 0.0 0.0 0.0 0.0 0.0
HIS 28 0 0.0 0.0 0.0 0.0 0.0
ALA 29 0 0.0 0.0 0.0 0.0 0.0
MET 30 0 0.0 0.0 0.0 0.0 0.0
ASN 31 0 0.0 0.0 0.0 0.0 0.0
SER 32 0 0.0 0.0 0.0 0.0 0.0
TYR 33 0 0.0 0.0 0.0 0.0 0.0
TYR 34 0 0.0 0.0 0.0 0.0 0.0
ARG 35 0 0.0 0.0 0.0 0.0 0.0
SER 36 0 0.0 0.0 0.0 0.0 0.0
VAL 37 0 0.0 0.0 0.0 0.0 0.0
VAL 38 0 0.0 0.0 0.0 0.0 0.0
SER 39 0 0.0 0.0 0.0 0.0 0.0
THR 40 0 0.0 0.0 0.0 0.0 0.0
LEU 41 0 0.0 0.0 0.0 0.0 0.0
VAL 42 0 0.0 0.0 0.0 0.0 0.0
GLN 43 0 0.0 0.0 0.0 0.0 0.0
ASP 44 0 0.0 0.0 0.0 0.0 0.0
GLN 45 0 0.0 0.0 0.0 0.0 0.0
LEU 46 0 0.0 0.0 0.0 0.0 0.0
THR 47 0 0.0 0.0 0.0 0.0 0.0
LYS 48 0 0.0 0.0 0.0 0.0 0.0
ASN 49 0 0.0 0.0 0.0 0.0 0.0
ALA 50 0 0.0 0.0 0.0 0.0 0.0
VAL 51 0 0.0 0.0 0.0 0.0 0.0
VAL 52 0 0.0 0.0 0.0 0.0 0.0
LEU 53 0 0.0 0.0 0.0 0.0 0.0
LYS 54 0 0.0 0.0 0.0 0.0 0.0
ARG 55 0 0.0 0.0 0.0 0.0 0.0
ILE 56 0 0.0 0.0 0.0 0.0 0.0
GLN 57 0 0.0 0.0 0.0 0.0 0.0
HIS 58 0 0.0 0.0 0.0 0.0 0.0
LEU 59 0 0.0 0.0 0.0 0.0 0.0
ASP 60 0 0.0 0.0 0.0 0.0 0.0
GLU 61 0 0.0 0.0 0.0 0.0 0.0
ALA 62 0 0.0 0.0 0.0 0.0 0.0
TYR 63 0 0.0 0.0 0.0 0.0 0.0
ASN 64 0 0.0 0.0 0.0 0.0 0.0
LYS 65 0 0.0 0.0 0.0 0.0 0.0
VAL 66 0 0.0 0.0 0.0 0.0 0.0
LYS 67 0 0.0 0.0 0.0 0.0 0.0
ARG 68 0 0.0 0.0 0.0 0.0 0.0
GLY 69 0 0.0 0.0 0.0 0.0 0.0
GLU 70 0 0.0 0.0 0.0 0.0 0.0
SER 71 0 0.0 0.0 0.0 0.0 0.0
LYS 72 0 0.0 0.0 0.0 0.0 0.0
LEU 73 0 0.0 0.0 0.0 0.0 0.0
GLU 74 0 0.0 0.0 0.0 0.0 0.0
HIS 75 0 0.0 0.0 0.0 0.0 0.0
HIS 76 0 0.0 0.0 0.0 0.0 0.0
HIS 77 0 0.0 0.0 0.0 0.0 0.0
HIS 78 0 0.0 0.0 0.0 0.0 0.0
HIS 79 0 0.0 0.0 0.0 0.0 0.0
HIS 80 0 0.0 0.0 0.0 0.0 0.0
# TOTAL 188 682.0 232.0 271.0 179.0 0.0
# TOTAL NUMBER OF RESTRAINTS (CHECKING): 870.0
List of conformationally-resticting NOE constraints
assign ((segid A and resid 7 and name HA )) ((segid A and resid 7 and name HG1# )) 4.09 2.29 0.00
assign ((segid A and resid 37 and name HG1# )) ((segid A and resid 40 and name HB )) 6.00 4.20 0.00
assign ((segid A and resid 37 and name HG2# )) ((segid A and resid 40 and name HB )) 6.00 4.20 0.00
assign ((segid A and resid 37 and name HA )) ((segid A and resid 40 and name HB )) 6.00 4.20 0.00
assign ((segid A and resid 40 and name HB )) ((segid A and resid 41 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 52 and name HA )) ((segid A and resid 52 and name HG1# )) 3.45 1.65 0.00
assign ((segid A and resid 38 and name HA )) ((segid A and resid 41 and name HG )) 4.15 2.35 0.00
assign ((segid A and resid 11 and name HA )) ((segid A and resid 14 and name HD2# )) 4.20 2.40 0.00
assign ((segid A and resid 11 and name HA )) ((segid A and resid 62 and name HB# )) 6.00 4.20 0.00
assign ((segid A and resid 11 and name HA )) ((segid A and resid 14 and name HD1# )) 4.20 2.40 0.00
assign ((segid A and resid 7 and name HB )) ((segid A and resid 8 and name HA )) 4.84 3.04 0.00
assign ((segid A and resid 8 and name HA )) ((segid A and resid 11 and name HB )) 3.59 1.79 0.00
assign ((segid A and resid 8 and name HA )) ((segid A and resid 11 and name HG2# )) 4.48 2.68 0.00
assign ((segid A and resid 8 and name HA )) ((segid A and resid 11 and name HD1# )) 4.62 2.82 0.00
assign ((segid A and resid 66 and name HA )) ((segid A and resid 66 and name HG2# )) 3.43 1.63 0.00
assign ((segid A and resid 37 and name HA )) ((segid A and resid 37 and name HG1# )) 3.53 1.73 0.00
assign ((segid A and resid 37 and name HA )) ((segid A and resid 41 and name HG )) 6.00 4.20 0.00
assign ((segid A and resid 37 and name HA )) ((segid A and resid 37 and name HG2# )) 3.53 1.73 0.00
assign ((segid A and resid 51 and name HA )) ((segid A and resid 51 and name HG2# )) 3.27 1.47 0.00
assign ((segid A and resid 51 and name HA )) ((segid A and resid 51 and name HG1# )) 3.27 1.47 0.00
assign ((segid A and resid 47 and name HA )) ((segid A and resid 47 and name HG2# )) 3.59 1.79 0.00
assign ((segid A and resid 27 and name HA )) ((segid A and resid 27 and name HD1# )) 3.32 1.52 0.00
assign ((segid A and resid 17 and name HA )) ((segid A and resid 19 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 17 and name HA )) ((segid A and resid 20 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 17 and name HA )) ((segid A and resid 25 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 15 and name HA )) ((segid A and resid 18 and name HG1# )) 3.48 1.68 0.00
assign ((segid A and resid 65 and name HA )) ((segid A and resid 67 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 18 and name HG2# )) ((segid A and resid 26 and name HA )) 3.55 1.75 0.00
assign ((segid A and resid 18 and name HD1# )) ((segid A and resid 26 and name HA )) 4.87 3.07 0.00
assign ((segid A and resid 26 and name HA )) ((segid A and resid 29 and name HB# )) 3.65 1.85 0.00
assign ((segid A and resid 29 and name HB# )) ((segid A and resid 30 and name HA )) 6.00 4.20 0.00
assign ((segid A and resid 30 and name HA )) ((segid A and resid 66 and name HG2# )) 5.20 3.40 0.00
assign ((segid A and resid 14 and name HA )) ((segid A and resid 18 and name HG1# )) 6.00 4.20 0.00
assign ((segid A and resid 66 and name HB )) ((segid A and resid 67 and name HA )) 6.00 4.20 0.00
assign ((segid A and resid 27 and name HD1# )) ((segid A and resid 67 and name HA )) 4.10 2.30 0.00
assign ((segid A and resid 67 and name HA )) ((segid A and resid 67 and name HG1 )) 3.44 1.64 0.00
assign ((segid A and resid 11 and name HG2# )) ((segid A and resid 14 and name HA )) 6.00 4.20 0.00
assign ((segid A and resid 14 and name HA )) ((segid A and resid 18 and name HD1# )) 6.00 4.20 0.00
assign ((segid A and resid 18 and name HB )) ((segid A and resid 19 and name HA )) 4.76 2.96 0.00
assign ((segid A and resid 53 and name HA )) ((segid A and resid 56 and name HD1# )) 4.44 2.64 0.00
assign ((segid A and resid 72 and name HA )) ((segid A and resid 73 and name HN )) 3.57 1.77 0.00
assign ((segid A and resid 58 and name HA )) ((segid A and resid 61 and name HN )) 4.14 2.34 0.00
assign ((segid A and resid 64 and name HA )) ((segid A and resid 67 and name HN )) 3.84 2.04 0.00
assign ((segid A and resid 49 and name HA )) ((segid A and resid 50 and name HB# )) 6.00 4.20 0.00
assign ((segid A and resid 46 and name HA )) ((segid A and resid 48 and name HN )) 3.66 1.86 0.00
assign ((segid A and resid 46 and name HN )) ((segid A and resid 46 and name HA )) 2.93 1.13 0.00
assign ((segid A and resid 46 and name HA )) ((segid A and resid 52 and name HN )) 5.69 3.89 0.00
assign ((segid A and resid 74 and name HA )) ((segid A and resid 74 and name HG1 )) 4.11 2.31 0.00
assign ((segid A and resid 74 and name HA )) ((segid A and resid 74 and name HG2 )) 4.11 2.31 0.00
assign ((segid A and resid 3 and name HA )) ((segid A and resid 4 and name HA )) 4.61 2.81 0.00
assign ((segid A and resid 73 and name HA )) ((segid A and resid 73 and name HG )) 3.51 1.71 0.00
assign ((segid A and resid 24 and name HA )) ((segid A and resid 25 and name HB1 )) 6.00 4.20 0.00
assign ((segid A and resid 25 and name HB2 )) ((segid A and resid 30 and name HN )) 5.83 4.03 0.00
assign ((segid A and resid 46 and name HB2 )) ((segid A and resid 46 and name HD2# )) 3.28 1.48 0.00
assign ((segid A and resid 54 and name HD1 )) ((segid A and resid 54 and name HE# )) 2.36 0.56 0.00
assign ((segid A and resid 54 and name HD2 )) ((segid A and resid 54 and name HE# )) 2.36 0.56 0.00
assign ((segid A and resid 73 and name HB1 )) ((segid A and resid 73 and name HD1# )) 3.73 1.93 0.00
assign ((segid A and resid 73 and name HB1 )) ((segid A and resid 73 and name HD2# )) 3.73 1.93 0.00
assign ((segid A and resid 73 and name HB2 )) ((segid A and resid 73 and name HD1# )) 3.73 1.93 0.00
assign ((segid A and resid 73 and name HB2 )) ((segid A and resid 73 and name HD2# )) 3.73 1.93 0.00
assign ((segid A and resid 53 and name HD1# )) ((segid A and resid 56 and name HB )) 5.17 3.37 0.00
assign ((segid A and resid 7 and name HG2# )) ((segid A and resid 61 and name HG2 )) 6.00 4.20 0.00
assign ((segid A and resid 17 and name HN )) ((segid A and resid 24 and name HG2 )) 6.00 4.20 0.00
assign ((segid A and resid 16 and name HG1 )) ((segid A and resid 17 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 16 and name HG1 )) ((segid A and resid 21 and name HN )) 5.17 3.37 0.00
assign ((segid A and resid 16 and name HG2 )) ((segid A and resid 17 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 26 and name HN )) ((segid A and resid 26 and name HB2 )) 4.06 2.26 0.00
assign ((segid A and resid 72 and name HN )) ((segid A and resid 72 and name HB1 )) 4.02 2.22 0.00
assign ((segid A and resid 66 and name HN )) ((segid A and resid 66 and name HB )) 4.17 2.37 0.00
assign ((segid A and resid 64 and name HN )) ((segid A and resid 66 and name HB )) 6.00 4.20 0.00
assign ((segid A and resid 27 and name HD1# )) ((segid A and resid 67 and name HB1 )) 6.00 4.20 0.00
assign ((segid A and resid 24 and name HB1 )) ((segid A and resid 25 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 48 and name HN )) ((segid A and resid 51 and name HB )) 6.00 4.20 0.00
assign ((segid A and resid 17 and name HN )) ((segid A and resid 24 and name HB1 )) 6.00 4.20 0.00
assign ((segid A and resid 52 and name HB )) ((segid A and resid 53 and name HN )) 4.56 2.76 0.00
assign ((segid A and resid 70 and name HB2 )) ((segid A and resid 71 and name HN )) 4.13 2.33 0.00
assign ((segid A and resid 67 and name HN )) ((segid A and resid 68 and name HB1 )) 6.00 4.20 0.00
assign ((segid A and resid 22 and name HB2 )) ((segid A and resid 23 and name HN )) 4.16 2.36 0.00
assign ((segid A and resid 46 and name HG )) ((segid A and resid 48 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 46 and name HN )) ((segid A and resid 46 and name HG )) 5.36 3.56 0.00
assign ((segid A and resid 73 and name HG )) ((segid A and resid 74 and name HN )) 4.46 2.66 0.00
assign ((segid A and resid 73 and name HN )) ((segid A and resid 73 and name HG )) 4.49 2.69 0.00
assign ((segid A and resid 14 and name HD1# )) ((segid A and resid 62 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 59 and name HG )) ((segid A and resid 60 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 30 and name HN )) ((segid A and resid 66 and name HG2# )) 3.96 2.16 0.00
assign ((segid A and resid 46 and name HN )) ((segid A and resid 46 and name HD1# )) 4.91 3.11 0.00
assign ((segid A and resid 27 and name HD1# )) ((segid A and resid 67 and name HG1 )) 4.93 3.13 0.00
assign ((segid A and resid 46 and name HB1 )) ((segid A and resid 46 and name HD1# )) 3.28 1.48 0.00
assign ((segid A and resid 46 and name HB2 )) ((segid A and resid 46 and name HD1# )) 3.28 1.48 0.00
assign ((segid A and resid 53 and name HN )) ((segid A and resid 53 and name HD1# )) 4.53 2.73 0.00
assign ((segid A and resid 53 and name HA )) ((segid A and resid 53 and name HD1# )) 4.21 2.41 0.00
assign ((segid A and resid 53 and name HN )) ((segid A and resid 53 and name HD2# )) 4.53 2.73 0.00
assign ((segid A and resid 53 and name HD2# )) ((segid A and resid 56 and name HB )) 5.17 3.37 0.00
assign ((segid A and resid 53 and name HA )) ((segid A and resid 53 and name HD2# )) 4.21 2.41 0.00
assign ((segid A and resid 4 and name HD2# )) ((segid A and resid 10 and name HE# )) 4.98 3.18 0.00
assign ((segid A and resid 4 and name HD2# )) ((segid A and resid 10 and name HD# )) 6.00 4.20 0.00
assign ((segid A and resid 4 and name HD2# )) ((segid A and resid 9 and name HE# )) 4.75 2.95 0.00
assign ((segid A and resid 4 and name HA )) ((segid A and resid 4 and name HD2# )) 4.34 2.54 0.00
assign ((segid A and resid 4 and name HN )) ((segid A and resid 4 and name HD2# )) 6.00 4.20 0.00
assign ((segid A and resid 4 and name HD1# )) ((segid A and resid 10 and name HE# )) 4.98 3.18 0.00
assign ((segid A and resid 4 and name HD1# )) ((segid A and resid 10 and name HD# )) 6.00 4.20 0.00
assign ((segid A and resid 4 and name HD1# )) ((segid A and resid 9 and name HE# )) 4.75 2.95 0.00
assign ((segid A and resid 4 and name HD1# )) ((segid A and resid 9 and name HD# )) 5.59 3.79 0.00
assign ((segid A and resid 4 and name HA )) ((segid A and resid 4 and name HD1# )) 4.34 2.54 0.00
assign ((segid A and resid 7 and name HN )) ((segid A and resid 7 and name HG2# )) 4.85 3.05 0.00
assign ((segid A and resid 46 and name HN )) ((segid A and resid 47 and name HG2# )) 6.00 4.20 0.00
assign ((segid A and resid 47 and name HG2# )) ((segid A and resid 52 and name HN )) 4.99 3.19 0.00
assign ((segid A and resid 46 and name HN )) ((segid A and resid 46 and name HD2# )) 4.91 3.11 0.00
assign ((segid A and resid 47 and name HG2# )) ((segid A and resid 48 and name HN )) 3.95 2.15 0.00
assign ((segid A and resid 47 and name HG2# )) ((segid A and resid 51 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 7 and name HA )) ((segid A and resid 7 and name HG2# )) 4.09 2.29 0.00
assign ((segid A and resid 52 and name HN )) ((segid A and resid 52 and name HG2# )) 5.13 3.33 0.00
assign ((segid A and resid 52 and name HA )) ((segid A and resid 52 and name HG2# )) 3.45 1.65 0.00
assign ((segid A and resid 46 and name HB1 )) ((segid A and resid 46 and name HD2# )) 3.28 1.48 0.00
assign ((segid A and resid 10 and name HZ )) ((segid A and resid 37 and name HG1# )) 4.31 2.51 0.00
assign ((segid A and resid 10 and name HE# )) ((segid A and resid 37 and name HG1# )) 4.11 2.31 0.00
assign ((segid A and resid 10 and name HE# )) ((segid A and resid 37 and name HG2# )) 4.11 2.31 0.00
assign ((segid A and resid 48 and name HN )) ((segid A and resid 51 and name HG2# )) 5.55 3.75 0.00
assign ((segid A and resid 47 and name HN )) ((segid A and resid 51 and name HG2# )) 4.92 3.12 0.00
assign ((segid A and resid 30 and name HA )) ((segid A and resid 66 and name HG1# )) 5.20 3.40 0.00
assign ((segid A and resid 30 and name HN )) ((segid A and resid 66 and name HG1# )) 3.88 2.08 0.00
assign ((segid A and resid 52 and name HN )) ((segid A and resid 52 and name HG1# )) 5.13 3.33 0.00
assign ((segid A and resid 59 and name HA )) ((segid A and resid 62 and name HB# )) 6.00 4.20 0.00
assign ((segid A and resid 14 and name HD1# )) ((segid A and resid 62 and name HB# )) 3.91 2.11 0.00
assign ((segid A and resid 40 and name HA )) ((segid A and resid 40 and name HG2# )) 3.55 1.75 0.00
assign ((segid A and resid 37 and name HA )) ((segid A and resid 40 and name HG2# )) 5.52 3.72 0.00
assign ((segid A and resid 7 and name HG1# )) ((segid A and resid 61 and name HG1 )) 6.00 4.20 0.00
assign ((segid A and resid 7 and name HG1# )) ((segid A and resid 61 and name HG2 )) 6.00 4.20 0.00
assign ((segid A and resid 37 and name HN )) ((segid A and resid 59 and name HD1# )) 5.39 3.59 0.00
assign ((segid A and resid 42 and name HG2# )) ((segid A and resid 43 and name HN )) 5.19 3.39 0.00
assign ((segid A and resid 42 and name HN )) ((segid A and resid 42 and name HG2# )) 4.09 2.29 0.00
assign ((segid A and resid 50 and name HB# )) ((segid A and resid 51 and name HN )) 4.61 2.81 0.00
assign ((segid A and resid 48 and name HE2 )) ((segid A and resid 50 and name HB# )) 5.27 3.47 0.00
assign ((segid A and resid 48 and name HE1 )) ((segid A and resid 50 and name HB# )) 5.27 3.47 0.00
assign ((segid A and resid 50 and name HB# )) ((segid A and resid 51 and name HB )) 6.00 4.20 0.00
assign ((segid A and resid 50 and name HN )) ((segid A and resid 50 and name HB# )) 3.44 1.64 0.00
assign ((segid A and resid 50 and name HB# )) ((segid A and resid 53 and name HN )) 5.44 3.64 0.00
assign ((segid A and resid 56 and name HG2# )) ((segid A and resid 57 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 56 and name HG2# )) ((segid A and resid 60 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 53 and name HA )) ((segid A and resid 56 and name HG2# )) 6.00 4.20 0.00
assign ((segid A and resid 56 and name HG2# )) ((segid A and resid 57 and name HA )) 6.00 4.20 0.00
assign ((segid A and resid 38 and name HA )) ((segid A and resid 56 and name HG2# )) 6.00 4.20 0.00
assign ((segid A and resid 25 and name HN )) ((segid A and resid 29 and name HB# )) 3.80 2.00 0.00
assign ((segid A and resid 24 and name HB1 )) ((segid A and resid 29 and name HB# )) 5.10 3.30 0.00
assign ((segid A and resid 14 and name HA )) ((segid A and resid 29 and name HB# )) 4.23 2.43 0.00
assign ((segid A and resid 27 and name HG2# )) ((segid A and resid 29 and name HB# )) 5.40 3.60 0.00
assign ((segid A and resid 27 and name HG2# )) ((segid A and resid 28 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 26 and name HN )) ((segid A and resid 27 and name HG2# )) 6.00 4.20 0.00
assign ((segid A and resid 18 and name HG2# )) ((segid A and resid 18 and name HG1# )) 3.19 1.39 0.00
assign ((segid A and resid 15 and name HN )) ((segid A and resid 18 and name HG2# )) 5.06 3.26 0.00
assign ((segid A and resid 18 and name HN )) ((segid A and resid 18 and name HG2# )) 4.43 2.63 0.00
assign ((segid A and resid 18 and name HG2# )) ((segid A and resid 19 and name HN )) 4.72 2.92 0.00
assign ((segid A and resid 15 and name HA )) ((segid A and resid 18 and name HG2# )) 5.28 3.48 0.00
assign ((segid A and resid 18 and name HG2# )) ((segid A and resid 29 and name HB# )) 3.62 1.82 0.00
assign ((segid A and resid 11 and name HG2# )) ((segid A and resid 14 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 11 and name HG2# )) ((segid A and resid 62 and name HA )) 4.50 2.70 0.00
assign ((segid A and resid 11 and name HG2# )) ((segid A and resid 62 and name HB# )) 3.41 1.61 0.00
assign ((segid A and resid 11 and name HD1# )) ((segid A and resid 62 and name HA )) 4.49 2.69 0.00
assign ((segid A and resid 11 and name HB )) ((segid A and resid 11 and name HD1# )) 2.98 1.18 0.00
assign ((segid A and resid 11 and name HD1# )) ((segid A and resid 62 and name HB# )) 3.56 1.76 0.00
assign ((segid A and resid 18 and name HN )) ((segid A and resid 18 and name HD1# )) 4.99 3.19 0.00
assign ((segid A and resid 18 and name HD1# )) ((segid A and resid 19 and name HA )) 6.00 4.20 0.00
assign ((segid A and resid 18 and name HD1# )) ((segid A and resid 29 and name HB# )) 4.55 2.75 0.00
assign ((segid A and resid 15 and name HA )) ((segid A and resid 18 and name HD1# )) 3.94 2.14 0.00
assign ((segid A and resid 18 and name HA )) ((segid A and resid 18 and name HD1# )) 4.49 2.69 0.00
assign ((segid A and resid 56 and name HN )) ((segid A and resid 56 and name HD1# )) 5.19 3.39 0.00
assign ((segid A and resid 42 and name HB )) ((segid A and resid 56 and name HD1# )) 5.86 4.06 0.00
assign ((segid A and resid 56 and name HB )) ((segid A and resid 56 and name HD1# )) 3.48 1.68 0.00
assign ((segid A and resid 27 and name HD1# )) ((segid A and resid 67 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 27 and name HD1# )) ((segid A and resid 71 and name HN )) 4.98 3.18 0.00
assign ((segid A and resid 27 and name HN )) ((segid A and resid 27 and name HD1# )) 5.00 3.20 0.00
assign ((segid A and resid 27 and name HD1# )) ((segid A and resid 63 and name HE# )) 6.00 4.20 0.00
assign ((segid A and resid 27 and name HB )) ((segid A and resid 27 and name HD1# )) 3.28 1.48 0.00
assign ((segid A and resid 21 and name HA )) ((segid A and resid 24 and name HB2 )) 6.00 4.20 0.00
assign ((segid A and resid 7 and name HG2# )) ((segid A and resid 61 and name HG1 )) 6.00 4.20 0.00
assign ((segid A and resid 41 and name HN )) ((segid A and resid 41 and name HG )) 6.00 4.20 0.00
assign ((segid A and resid 14 and name HD2# )) ((segid A and resid 62 and name HB# )) 3.91 2.11 0.00
assign ((segid A and resid 34 and name HD# )) ((segid A and resid 59 and name HD2# )) 6.00 4.20 0.00
assign ((segid A and resid 47 and name HG2# )) ((segid A and resid 51 and name HG2# )) 2.79 0.99 0.00
assign ((segid A and resid 47 and name HG2# )) ((segid A and resid 51 and name HG1# )) 2.79 0.99 0.00
assign ((segid A and resid 18 and name HG1# )) ((segid A and resid 29 and name HB# )) 5.35 3.55 0.00
assign ((segid A and resid 29 and name HB# )) ((segid A and resid 66 and name HB )) 5.61 3.81 0.00
assign ((segid A and resid 16 and name HA )) ((segid A and resid 20 and name HE# )) 4.71 2.91 0.00
assign ((segid A and resid 19 and name HN )) ((segid A and resid 20 and name HE# )) 5.85 4.05 0.00
assign ((segid A and resid 17 and name HN )) ((segid A and resid 20 and name HE# )) 6.00 4.20 0.00
assign ((segid A and resid 3 and name HA )) ((segid A and resid 4 and name HN )) 3.44 1.64 0.00
assign ((segid A and resid 4 and name HN )) ((segid A and resid 4 and name HG )) 4.88 3.08 0.00
assign ((segid A and resid 4 and name HN )) ((segid A and resid 4 and name HD1# )) 6.00 4.20 0.00
assign ((segid A and resid 48 and name HN )) ((segid A and resid 51 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 47 and name HN )) ((segid A and resid 48 and name HN )) 5.37 3.57 0.00
assign ((segid A and resid 47 and name HA )) ((segid A and resid 48 and name HN )) 3.28 1.48 0.00
assign ((segid A and resid 47 and name HB )) ((segid A and resid 48 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 48 and name HN )) ((segid A and resid 51 and name HG1# )) 5.55 3.75 0.00
assign ((segid A and resid 25 and name HB1 )) ((segid A and resid 26 and name HN )) 4.39 2.59 0.00
assign ((segid A and resid 26 and name HN )) ((segid A and resid 26 and name HB1 )) 4.06 2.26 0.00
assign ((segid A and resid 26 and name HN )) ((segid A and resid 26 and name HG1 )) 5.14 3.34 0.00
assign ((segid A and resid 26 and name HN )) ((segid A and resid 26 and name HG2 )) 5.14 3.34 0.00
assign ((segid A and resid 45 and name HN )) ((segid A and resid 46 and name HG )) 6.00 4.20 0.00
assign ((segid A and resid 12 and name HN )) ((segid A and resid 14 and name HN )) 5.65 3.85 0.00
assign ((segid A and resid 14 and name HN )) ((segid A and resid 16 and name HN )) 5.85 4.05 0.00
assign ((segid A and resid 14 and name HN )) ((segid A and resid 14 and name HG )) 3.83 2.03 0.00
assign ((segid A and resid 14 and name HN )) ((segid A and resid 14 and name HD2# )) 3.96 2.16 0.00
assign ((segid A and resid 14 and name HN )) ((segid A and resid 14 and name HD1# )) 3.96 2.16 0.00
assign ((segid A and resid 14 and name HN )) ((segid A and resid 33 and name HE# )) 6.00 4.20 0.00
assign ((segid A and resid 26 and name HA )) ((segid A and resid 29 and name HN )) 4.98 3.18 0.00
assign ((segid A and resid 28 and name HN )) ((segid A and resid 29 and name HN )) 4.15 2.35 0.00
assign ((segid A and resid 25 and name HB2 )) ((segid A and resid 29 and name HN )) 4.46 2.66 0.00
assign ((segid A and resid 29 and name HN )) ((segid A and resid 31 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 27 and name HN )) ((segid A and resid 29 and name HN )) 5.65 3.85 0.00
assign ((segid A and resid 27 and name HB )) ((segid A and resid 29 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 27 and name HG2# )) ((segid A and resid 29 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 59 and name HN )) ((segid A and resid 59 and name HD1# )) 4.98 3.18 0.00
assign ((segid A and resid 59 and name HN )) ((segid A and resid 59 and name HD2# )) 4.98 3.18 0.00
assign ((segid A and resid 56 and name HD1# )) ((segid A and resid 59 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 56 and name HB )) ((segid A and resid 59 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 71 and name HA )) ((segid A and resid 72 and name HN )) 3.07 1.27 0.00
assign ((segid A and resid 72 and name HN )) ((segid A and resid 74 and name HG1 )) 6.00 4.20 0.00
assign ((segid A and resid 72 and name HN )) ((segid A and resid 74 and name HG2 )) 6.00 4.20 0.00
assign ((segid A and resid 72 and name HN )) ((segid A and resid 72 and name HB2 )) 4.02 2.22 0.00
assign ((segid A and resid 11 and name HN )) ((segid A and resid 62 and name HA )) 5.83 4.03 0.00
assign ((segid A and resid 11 and name HN )) ((segid A and resid 62 and name HB# )) 4.38 2.58 0.00
assign ((segid A and resid 11 and name HN )) ((segid A and resid 11 and name HD1# )) 4.03 2.23 0.00
assign ((segid A and resid 11 and name HN )) ((segid A and resid 13 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 11 and name HN )) ((segid A and resid 11 and name HB )) 3.37 1.57 0.00
assign ((segid A and resid 25 and name HN )) ((segid A and resid 28 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 38 and name HA )) ((segid A and resid 41 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 24 and name HB2 )) ((segid A and resid 25 and name HN )) 3.75 1.95 0.00
assign ((segid A and resid 32 and name HN )) ((segid A and resid 33 and name HN )) 3.91 2.11 0.00
assign ((segid A and resid 33 and name HN )) ((segid A and resid 33 and name HD# )) 4.91 3.11 0.00
assign ((segid A and resid 33 and name HN )) ((segid A and resid 33 and name HB1 )) 3.88 2.08 0.00
assign ((segid A and resid 30 and name HA )) ((segid A and resid 33 and name HN )) 4.44 2.64 0.00
assign ((segid A and resid 33 and name HN )) ((segid A and resid 33 and name HB2 )) 3.88 2.08 0.00
assign ((segid A and resid 48 and name HN )) ((segid A and resid 49 and name HN )) 4.56 2.76 0.00
assign ((segid A and resid 48 and name HA )) ((segid A and resid 49 and name HN )) 3.11 1.31 0.00
assign ((segid A and resid 49 and name HN )) ((segid A and resid 49 and name HB1 )) 4.14 2.34 0.00
assign ((segid A and resid 49 and name HN )) ((segid A and resid 49 and name HB2 )) 4.14 2.34 0.00
assign ((segid A and resid 11 and name HN )) ((segid A and resid 11 and name HG2# )) 4.12 2.32 0.00
assign ((segid A and resid 2 and name HB1 )) ((segid A and resid 3 and name HN )) 5.08 3.28 0.00
assign ((segid A and resid 3 and name HN )) ((segid A and resid 4 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 2 and name HB2 )) ((segid A and resid 3 and name HN )) 5.08 3.28 0.00
assign ((segid A and resid 40 and name HN )) ((segid A and resid 41 and name HN )) 3.76 1.96 0.00
assign ((segid A and resid 40 and name HG2# )) ((segid A and resid 41 and name HN )) 4.55 2.75 0.00
assign ((segid A and resid 41 and name HN )) ((segid A and resid 42 and name HN )) 3.55 1.75 0.00
assign ((segid A and resid 33 and name HE# )) ((segid A and resid 37 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 33 and name HD# )) ((segid A and resid 37 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 37 and name HN )) ((segid A and resid 37 and name HB )) 3.77 1.97 0.00
assign ((segid A and resid 37 and name HN )) ((segid A and resid 59 and name HD2# )) 5.39 3.59 0.00
assign ((segid A and resid 33 and name HN )) ((segid A and resid 37 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 29 and name HB# )) ((segid A and resid 33 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 24 and name HN )) ((segid A and resid 25 and name HN )) 4.41 2.61 0.00
assign ((segid A and resid 23 and name HN )) ((segid A and resid 24 and name HN )) 3.39 1.59 0.00
assign ((segid A and resid 24 and name HN )) ((segid A and resid 24 and name HB2 )) 3.59 1.79 0.00
assign ((segid A and resid 21 and name HA )) ((segid A and resid 24 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 73 and name HA )) ((segid A and resid 74 and name HN )) 3.22 1.42 0.00
assign ((segid A and resid 10 and name HN )) ((segid A and resid 11 and name HN )) 4.31 2.51 0.00
assign ((segid A and resid 9 and name HD# )) ((segid A and resid 10 and name HN )) 4.68 2.88 0.00
assign ((segid A and resid 9 and name HN )) ((segid A and resid 10 and name HN )) 4.24 2.44 0.00
assign ((segid A and resid 65 and name HN )) ((segid A and resid 67 and name HN )) 4.71 2.91 0.00
assign ((segid A and resid 67 and name HN )) ((segid A and resid 68 and name HN )) 3.61 1.81 0.00
assign ((segid A and resid 67 and name HN )) ((segid A and resid 67 and name HB2 )) 3.66 1.86 0.00
assign ((segid A and resid 8 and name HA )) ((segid A and resid 10 and name HN )) 4.85 3.05 0.00
assign ((segid A and resid 59 and name HN )) ((segid A and resid 60 and name HN )) 3.82 2.02 0.00
assign ((segid A and resid 59 and name HD1# )) ((segid A and resid 60 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 66 and name HN )) ((segid A and resid 67 and name HG1 )) 4.66 2.86 0.00
assign ((segid A and resid 66 and name HN )) ((segid A and resid 66 and name HG2# )) 3.70 1.90 0.00
assign ((segid A and resid 66 and name HN )) ((segid A and resid 66 and name HG1# )) 3.70 1.90 0.00
assign ((segid A and resid 59 and name HD2# )) ((segid A and resid 60 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 46 and name HN )) ((segid A and resid 47 and name HB )) 5.29 3.49 0.00
assign ((segid A and resid 65 and name HN )) ((segid A and resid 66 and name HN )) 3.41 1.61 0.00
assign ((segid A and resid 18 and name HN )) ((segid A and resid 25 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 38 and name HN )) ((segid A and resid 41 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 37 and name HN )) ((segid A and resid 38 and name HN )) 3.55 1.75 0.00
assign ((segid A and resid 38 and name HN )) ((segid A and resid 39 and name HN )) 3.87 2.07 0.00
assign ((segid A and resid 38 and name HN )) ((segid A and resid 40 and name HN )) 5.93 4.13 0.00
assign ((segid A and resid 15 and name HA )) ((segid A and resid 18 and name HN )) 4.44 2.64 0.00
assign ((segid A and resid 37 and name HG2# )) ((segid A and resid 38 and name HN )) 4.63 2.83 0.00
assign ((segid A and resid 33 and name HE# )) ((segid A and resid 38 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 33 and name HD# )) ((segid A and resid 38 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 34 and name HE# )) ((segid A and resid 38 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 37 and name HB )) ((segid A and resid 38 and name HN )) 4.58 2.78 0.00
assign ((segid A and resid 49 and name HA )) ((segid A and resid 52 and name HN )) 4.98 3.18 0.00
assign ((segid A and resid 52 and name HN )) ((segid A and resid 52 and name HB )) 3.70 1.90 0.00
assign ((segid A and resid 69 and name HN )) ((segid A and resid 70 and name HN )) 3.33 1.53 0.00
assign ((segid A and resid 68 and name HN )) ((segid A and resid 70 and name HN )) 4.88 3.08 0.00
assign ((segid A and resid 67 and name HA )) ((segid A and resid 70 and name HN )) 4.29 2.49 0.00
assign ((segid A and resid 27 and name HD1# )) ((segid A and resid 70 and name HN )) 5.25 3.45 0.00
assign ((segid A and resid 38 and name HN )) ((segid A and resid 40 and name HB )) 6.00 4.20 0.00
assign ((segid A and resid 18 and name HN )) ((segid A and resid 29 and name HB# )) 4.93 3.13 0.00
assign ((segid A and resid 18 and name HN )) ((segid A and resid 18 and name HG1# )) 3.55 1.75 0.00
assign ((segid A and resid 37 and name HG1# )) ((segid A and resid 38 and name HN )) 4.63 2.83 0.00
assign ((segid A and resid 7 and name HN )) ((segid A and resid 7 and name HB )) 4.07 2.27 0.00
assign ((segid A and resid 7 and name HN )) ((segid A and resid 7 and name HG1# )) 4.85 3.05 0.00
assign ((segid A and resid 7 and name HN )) ((segid A and resid 10 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 34 and name HN )) ((segid A and resid 36 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 33 and name HN )) ((segid A and resid 34 and name HN )) 3.85 2.05 0.00
assign ((segid A and resid 34 and name HN )) ((segid A and resid 35 and name HN )) 4.15 2.35 0.00
assign ((segid A and resid 32 and name HN )) ((segid A and resid 34 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 56 and name HN )) ((segid A and resid 57 and name HN )) 4.26 2.46 0.00
assign ((segid A and resid 54 and name HA )) ((segid A and resid 57 and name HN )) 4.49 2.69 0.00
assign ((segid A and resid 55 and name HA )) ((segid A and resid 57 and name HN )) 4.84 3.04 0.00
assign ((segid A and resid 56 and name HD1# )) ((segid A and resid 57 and name HN )) 4.52 2.72 0.00
assign ((segid A and resid 30 and name HA )) ((segid A and resid 34 and name HN )) 3.89 2.09 0.00
assign ((segid A and resid 46 and name HN )) ((segid A and resid 47 and name HN )) 3.23 1.43 0.00
assign ((segid A and resid 46 and name HA )) ((segid A and resid 47 and name HN )) 3.55 1.75 0.00
assign ((segid A and resid 47 and name HN )) ((segid A and resid 47 and name HB )) 3.74 1.94 0.00
assign ((segid A and resid 47 and name HN )) ((segid A and resid 47 and name HG2# )) 4.21 2.41 0.00
assign ((segid A and resid 47 and name HN )) ((segid A and resid 51 and name HG1# )) 4.92 3.12 0.00
assign ((segid A and resid 49 and name HN )) ((segid A and resid 50 and name HN )) 4.18 2.38 0.00
assign ((segid A and resid 50 and name HN )) ((segid A and resid 52 and name HN )) 4.98 3.18 0.00
assign ((segid A and resid 50 and name HN )) ((segid A and resid 51 and name HN )) 3.87 2.07 0.00
assign ((segid A and resid 47 and name HG2# )) ((segid A and resid 50 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 74 and name HA )) ((segid A and resid 75 and name HN )) 3.37 1.57 0.00
assign ((segid A and resid 44 and name HN )) ((segid A and resid 45 and name HN )) 4.68 2.88 0.00
assign ((segid A and resid 40 and name HG2# )) ((segid A and resid 44 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 42 and name HN )) ((segid A and resid 44 and name HN )) 5.16 3.36 0.00
assign ((segid A and resid 41 and name HA )) ((segid A and resid 44 and name HN )) 5.42 3.62 0.00
assign ((segid A and resid 42 and name HB )) ((segid A and resid 44 and name HN )) 5.64 3.84 0.00
assign ((segid A and resid 25 and name HB2 )) ((segid A and resid 28 and name HN )) 3.71 1.91 0.00
assign ((segid A and resid 21 and name HN )) ((segid A and resid 22 and name HN )) 3.90 2.10 0.00
assign ((segid A and resid 16 and name HG2 )) ((segid A and resid 21 and name HN )) 5.17 3.37 0.00
assign ((segid A and resid 53 and name HN )) ((segid A and resid 54 and name HN )) 3.79 1.99 0.00
assign ((segid A and resid 54 and name HN )) ((segid A and resid 55 and name HN )) 4.11 2.31 0.00
assign ((segid A and resid 52 and name HN )) ((segid A and resid 54 and name HN )) 4.42 2.62 0.00
assign ((segid A and resid 54 and name HN )) ((segid A and resid 56 and name HN )) 5.09 3.29 0.00
assign ((segid A and resid 51 and name HA )) ((segid A and resid 54 and name HN )) 4.33 2.53 0.00
assign ((segid A and resid 51 and name HN )) ((segid A and resid 54 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 34 and name HE# )) ((segid A and resid 63 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 62 and name HN )) ((segid A and resid 63 and name HN )) 3.73 1.93 0.00
assign ((segid A and resid 62 and name HB# )) ((segid A and resid 63 and name HN )) 4.21 2.41 0.00
assign ((segid A and resid 11 and name HD1# )) ((segid A and resid 63 and name HN )) 5.65 3.85 0.00
assign ((segid A and resid 59 and name HG )) ((segid A and resid 63 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 63 and name HN )) ((segid A and resid 66 and name HB )) 6.00 4.20 0.00
assign ((segid A and resid 34 and name HD# )) ((segid A and resid 63 and name HN )) 5.78 3.98 0.00
assign ((segid A and resid 61 and name HA )) ((segid A and resid 63 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 22 and name HN )) ((segid A and resid 24 and name HN )) 4.71 2.91 0.00
assign ((segid A and resid 21 and name HA )) ((segid A and resid 22 and name HN )) 3.42 1.62 0.00
assign ((segid A and resid 16 and name HA )) ((segid A and resid 22 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 54 and name HN )) ((segid A and resid 57 and name HN )) 5.82 4.02 0.00
assign ((segid A and resid 59 and name HN )) ((segid A and resid 61 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 11 and name HD1# )) ((segid A and resid 61 and name HN )) 5.89 4.09 0.00
assign ((segid A and resid 9 and name HN )) ((segid A and resid 9 and name HD# )) 5.30 3.50 0.00
assign ((segid A and resid 7 and name HA )) ((segid A and resid 9 and name HN )) 3.73 1.93 0.00
assign ((segid A and resid 7 and name HB )) ((segid A and resid 9 and name HN )) 4.79 2.99 0.00
assign ((segid A and resid 30 and name HN )) ((segid A and resid 33 and name HD# )) 6.00 4.20 0.00
assign ((segid A and resid 26 and name HN )) ((segid A and resid 27 and name HN )) 3.81 2.01 0.00
assign ((segid A and resid 27 and name HN )) ((segid A and resid 28 and name HN )) 3.96 2.16 0.00
assign ((segid A and resid 26 and name HG1 )) ((segid A and resid 27 and name HN )) 5.13 3.33 0.00
assign ((segid A and resid 26 and name HG2 )) ((segid A and resid 27 and name HN )) 5.13 3.33 0.00
assign ((segid A and resid 27 and name HN )) ((segid A and resid 27 and name HG2# )) 3.91 2.11 0.00
assign ((segid A and resid 15 and name HN )) ((segid A and resid 16 and name HN )) 3.39 1.59 0.00
assign ((segid A and resid 29 and name HN )) ((segid A and resid 30 and name HN )) 3.64 1.84 0.00
assign ((segid A and resid 18 and name HG2# )) ((segid A and resid 30 and name HN )) 5.68 3.88 0.00
assign ((segid A and resid 28 and name HN )) ((segid A and resid 30 and name HN )) 5.61 3.81 0.00
assign ((segid A and resid 55 and name HN )) ((segid A and resid 58 and name HN )) 5.64 3.84 0.00
assign ((segid A and resid 58 and name HN )) ((segid A and resid 59 and name HN )) 3.73 1.93 0.00
assign ((segid A and resid 30 and name HN )) ((segid A and resid 66 and name HB )) 4.48 2.68 0.00
assign ((segid A and resid 58 and name HN )) ((segid A and resid 59 and name HB2 )) 4.80 3.00 0.00
assign ((segid A and resid 27 and name HG2# )) ((segid A and resid 30 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 56 and name HD1# )) ((segid A and resid 58 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 8 and name HA )) ((segid A and resid 12 and name HN )) 4.13 2.33 0.00
assign ((segid A and resid 11 and name HB )) ((segid A and resid 12 and name HN )) 3.02 1.22 0.00
assign ((segid A and resid 41 and name HN )) ((segid A and resid 43 and name HN )) 5.54 3.74 0.00
assign ((segid A and resid 42 and name HN )) ((segid A and resid 43 and name HN )) 3.93 2.13 0.00
assign ((segid A and resid 43 and name HN )) ((segid A and resid 44 and name HN )) 3.37 1.57 0.00
assign ((segid A and resid 41 and name HA )) ((segid A and resid 43 and name HN )) 4.56 2.76 0.00
assign ((segid A and resid 42 and name HB )) ((segid A and resid 43 and name HN )) 4.21 2.41 0.00
assign ((segid A and resid 40 and name HG2# )) ((segid A and resid 43 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 42 and name HG1# )) ((segid A and resid 43 and name HN )) 5.19 3.39 0.00
assign ((segid A and resid 31 and name HN )) ((segid A and resid 33 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 30 and name HE# )) ((segid A and resid 31 and name HN )) 5.73 3.93 0.00
assign ((segid A and resid 29 and name HB# )) ((segid A and resid 31 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 30 and name HN )) ((segid A and resid 31 and name HN )) 4.01 2.21 0.00
assign ((segid A and resid 27 and name HG2# )) ((segid A and resid 31 and name HN )) 5.86 4.06 0.00
assign ((segid A and resid 10 and name HN )) ((segid A and resid 12 and name HN )) 5.63 3.83 0.00
assign ((segid A and resid 55 and name HN )) ((segid A and resid 57 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 55 and name HN )) ((segid A and resid 56 and name HN )) 3.65 1.85 0.00
assign ((segid A and resid 35 and name HN )) ((segid A and resid 36 and name HN )) 4.08 2.28 0.00
assign ((segid A and resid 18 and name HN )) ((segid A and resid 19 and name HN )) 3.54 1.74 0.00
assign ((segid A and resid 53 and name HA )) ((segid A and resid 56 and name HN )) 4.51 2.71 0.00
assign ((segid A and resid 52 and name HA )) ((segid A and resid 56 and name HN )) 5.38 3.58 0.00
assign ((segid A and resid 63 and name HN )) ((segid A and resid 64 and name HN )) 4.25 2.45 0.00
assign ((segid A and resid 64 and name HN )) ((segid A and resid 68 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 63 and name HE# )) ((segid A and resid 64 and name HN )) 4.38 2.58 0.00
assign ((segid A and resid 11 and name HD1# )) ((segid A and resid 64 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 11 and name HN )) ((segid A and resid 12 and name HN )) 4.10 2.30 0.00
assign ((segid A and resid 11 and name HG2# )) ((segid A and resid 12 and name HN )) 3.79 1.99 0.00
assign ((segid A and resid 52 and name HA )) ((segid A and resid 55 and name HN )) 4.36 2.56 0.00
assign ((segid A and resid 13 and name HN )) ((segid A and resid 33 and name HE# )) 5.63 3.83 0.00
assign ((segid A and resid 51 and name HN )) ((segid A and resid 52 and name HN )) 4.13 2.33 0.00
assign ((segid A and resid 48 and name HA )) ((segid A and resid 51 and name HN )) 5.24 3.44 0.00
assign ((segid A and resid 51 and name HN )) ((segid A and resid 51 and name HG2# )) 3.87 2.07 0.00
assign ((segid A and resid 51 and name HN )) ((segid A and resid 51 and name HG1# )) 3.87 2.07 0.00
assign ((segid A and resid 51 and name HN )) ((segid A and resid 53 and name HN )) 5.25 3.45 0.00
assign ((segid A and resid 15 and name HN )) ((segid A and resid 18 and name HD1# )) 4.40 2.60 0.00
assign ((segid A and resid 14 and name HN )) ((segid A and resid 15 and name HN )) 4.24 2.44 0.00
assign ((segid A and resid 11 and name HA )) ((segid A and resid 15 and name HN )) 5.52 3.72 0.00
assign ((segid A and resid 17 and name HN )) ((segid A and resid 19 and name HN )) 4.01 2.21 0.00
assign ((segid A and resid 11 and name HG2# )) ((segid A and resid 13 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 13 and name HN )) ((segid A and resid 14 and name HN )) 4.08 2.28 0.00
assign ((segid A and resid 12 and name HN )) ((segid A and resid 13 and name HN )) 3.37 1.57 0.00
assign ((segid A and resid 13 and name HN )) ((segid A and resid 15 and name HN )) 5.01 3.21 0.00
assign ((segid A and resid 70 and name HB1 )) ((segid A and resid 71 and name HN )) 4.13 2.33 0.00
assign ((segid A and resid 30 and name HN )) ((segid A and resid 32 and name HN )) 4.48 2.68 0.00
assign ((segid A and resid 31 and name HN )) ((segid A and resid 32 and name HN )) 4.39 2.59 0.00
assign ((segid A and resid 27 and name HD1# )) ((segid A and resid 68 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 52 and name HN )) ((segid A and resid 53 and name HN )) 4.08 2.28 0.00
assign ((segid A and resid 49 and name HA )) ((segid A and resid 53 and name HN )) 5.24 3.44 0.00
assign ((segid A and resid 53 and name HN )) ((segid A and resid 56 and name HB )) 6.00 4.20 0.00
assign ((segid A and resid 64 and name HA )) ((segid A and resid 68 and name HN )) 4.04 2.24 0.00
assign ((segid A and resid 67 and name HB2 )) ((segid A and resid 68 and name HN )) 4.15 2.35 0.00
assign ((segid A and resid 67 and name HG1 )) ((segid A and resid 68 and name HN )) 4.52 2.72 0.00
assign ((segid A and resid 66 and name HA )) ((segid A and resid 68 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 68 and name HN )) ((segid A and resid 70 and name HG1 )) 6.00 4.20 0.00
assign ((segid A and resid 68 and name HN )) ((segid A and resid 70 and name HG2 )) 6.00 4.20 0.00
assign ((segid A and resid 16 and name HN )) ((segid A and resid 20 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 18 and name HN )) ((segid A and resid 20 and name HN )) 5.93 4.13 0.00
assign ((segid A and resid 6 and name HN )) ((segid A and resid 7 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 21 and name HA )) ((segid A and resid 23 and name HN )) 4.54 2.74 0.00
assign ((segid A and resid 22 and name HA )) ((segid A and resid 23 and name HN )) 3.55 1.75 0.00
assign ((segid A and resid 22 and name HB1 )) ((segid A and resid 23 and name HN )) 4.16 2.36 0.00
assign ((segid A and resid 23 and name HN )) ((segid A and resid 24 and name HB2 )) 4.22 2.42 0.00
assign ((segid A and resid 4 and name HA )) ((segid A and resid 6 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 4 and name HN )) ((segid A and resid 6 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 40 and name HN )) ((segid A and resid 42 and name HN )) 5.53 3.73 0.00
assign ((segid A and resid 40 and name HN )) ((segid A and resid 40 and name HG2# )) 3.99 2.19 0.00
assign ((segid A and resid 36 and name HN )) ((segid A and resid 38 and name HN )) 5.92 4.12 0.00
assign ((segid A and resid 36 and name HN )) ((segid A and resid 37 and name HN )) 3.70 1.90 0.00
assign ((segid A and resid 39 and name HN )) ((segid A and resid 40 and name HN )) 3.98 2.18 0.00
assign ((segid A and resid 39 and name HN )) ((segid A and resid 40 and name HB )) 6.00 4.20 0.00
assign ((segid A and resid 39 and name HN )) ((segid A and resid 41 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 39 and name HN )) ((segid A and resid 42 and name HB )) 5.60 3.80 0.00
assign ((segid A and resid 40 and name HG2# )) ((segid A and resid 42 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 42 and name HN )) ((segid A and resid 42 and name HG1# )) 4.09 2.29 0.00
assign ((segid A and resid 68 and name HN )) ((segid A and resid 69 and name HN )) 2.93 1.13 0.00
assign ((segid A and resid 68 and name HB1 )) ((segid A and resid 69 and name HN )) 3.52 1.72 0.00
assign ((segid A and resid 67 and name HG1 )) ((segid A and resid 69 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 18 and name HD1# )) ((segid A and resid 69 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 27 and name HD1# )) ((segid A and resid 69 and name HN )) 6.00 4.20 0.00
assign ((segid A and resid 67 and name HN )) ((segid A and resid 69 and name HN )) 5.15 3.35 0.00
assign ((segid A and resid 8 and name HA )) ((segid A and resid 11 and name HN )) 4.27 2.47 0.00
assign ((segid A and resid 63 and name HD# )) ((segid A and resid 64 and name HN )) 4.23 2.43 0.00
assign ((segid A and resid 63 and name HN )) ((segid A and resid 63 and name HD# )) 4.56 2.76 0.00
assign ((segid A and resid 10 and name HZ )) ((segid A and resid 37 and name HG2# )) 4.31 2.51 0.00
assign ((segid A and resid 34 and name HN )) ((segid A and resid 34 and name HD# )) 4.87 3.07 0.00
assign ((segid A and resid 34 and name HD# )) ((segid A and resid 63 and name HA )) 4.43 2.63 0.00
assign ((segid A and resid 34 and name HA )) ((segid A and resid 34 and name HD# )) 4.44 2.64 0.00
assign ((segid A and resid 34 and name HD# )) ((segid A and resid 59 and name HD1# )) 6.00 4.20 0.00
assign ((segid A and resid 9 and name HD# )) ((segid A and resid 10 and name HE# )) 4.69 2.89 0.00
assign ((segid A and resid 4 and name HA )) ((segid A and resid 9 and name HD# )) 5.06 3.26 0.00
assign ((segid A and resid 4 and name HD2# )) ((segid A and resid 9 and name HD# )) 5.59 3.79 0.00
assign ((segid A and resid 4 and name HN )) ((segid A and resid 9 and name HD# )) 5.00 3.20 0.00
assign ((segid A and resid 9 and name HD# )) ((segid A and resid 10 and name HZ )) 6.00 4.20 0.00
assign ((segid A and resid 33 and name HD# )) ((segid A and resid 34 and name HN )) 4.36 2.56 0.00
assign ((segid A and resid 14 and name HG )) ((segid A and resid 33 and name HD# )) 6.00 4.20 0.00
assign ((segid A and resid 33 and name HD# )) ((segid A and resid 62 and name HB# )) 6.00 4.20 0.00
assign ((segid A and resid 10 and name HE# )) ((segid A and resid 10 and name HD# )) 3.15 1.35 0.00
assign ((segid A and resid 9 and name HE# )) ((segid A and resid 10 and name HD# )) 5.15 3.35 0.00
assign ((segid A and resid 10 and name HD# )) ((segid A and resid 33 and name HE# )) 5.32 3.52 0.00
assign ((segid A and resid 10 and name HD# )) ((segid A and resid 37 and name HB )) 6.00 4.20 0.00
assign ((segid A and resid 10 and name HD# )) ((segid A and resid 59 and name HB2 )) 6.00 4.20 0.00
assign ((segid A and resid 4 and name HN )) ((segid A and resid 9 and name HE# )) 5.26 3.46 0.00
assign ((segid A and resid 9 and name HE# )) ((segid A and resid 10 and name HE# )) 4.70 2.90 0.00
assign ((segid A and resid 4 and name HA )) ((segid A and resid 9 and name HE# )) 4.82 3.02 0.00
assign ((segid A and resid 33 and name HE# )) ((segid A and resid 59 and name HG )) 4.78 2.98 0.00
assign ((segid A and resid 14 and name HG )) ((segid A and resid 33 and name HE# )) 4.77 2.97 0.00
assign ((segid A and resid 33 and name HE# )) ((segid A and resid 34 and name HN )) 5.84 4.04 0.00
assign ((segid A and resid 63 and name HN )) ((segid A and resid 63 and name HE# )) 6.00 4.20 0.00
assign ((segid A and resid 63 and name HE# )) ((segid A and resid 63 and name HD# )) 2.93 1.13 0.00
assign ((segid A and resid 63 and name HE# )) ((segid A and resid 67 and name HG1 )) 3.95 2.15 0.00
assign ((segid A and resid 34 and name HE# )) ((segid A and resid 60 and name HN )) 5.40 3.60 0.00
assign ((segid A and resid 34 and name HE# )) ((segid A and resid 34 and name HD# )) 3.07 1.27 0.00
assign ((segid A and resid 34 and name HA )) ((segid A and resid 34 and name HE# )) 5.41 3.61 0.00
assign ((segid A and resid 2 and name HB# )) ((segid A and resid 3 and name HN )) 4.45 2.65 0.00
assign ((segid A and resid 3 and name HA )) ((segid A and resid 4 and name HB# )) 4.47 2.67 0.00
assign ((segid A and resid 3 and name HG# )) ((segid A and resid 4 and name HN )) 5.84 3.98 0.00
assign ((segid A and resid 3 and name HG# )) ((segid A and resid 4 and name HD# )) 5.79 3.99 0.00
assign ((segid A and resid 4 and name HN )) ((segid A and resid 4 and name HB# )) 3.57 1.77 0.00
assign ((segid A and resid 4 and name HN )) ((segid A and resid 4 and name HD# )) 4.50 2.70 0.00
assign ((segid A and resid 4 and name HA )) ((segid A and resid 4 and name HD# )) 3.68 1.88 0.00
assign ((segid A and resid 4 and name HB# )) ((segid A and resid 4 and name HD# )) 2.80 1.00 0.00
assign ((segid A and resid 4 and name HD# )) ((segid A and resid 9 and name HE# )) 4.06 2.26 0.00
assign ((segid A and resid 4 and name HD# )) ((segid A and resid 9 and name HD# )) 4.37 2.57 0.00
assign ((segid A and resid 4 and name HD# )) ((segid A and resid 10 and name HE# )) 4.15 2.35 0.00
assign ((segid A and resid 7 and name HN )) ((segid A and resid 7 and name HG# )) 4.20 2.40 0.00
assign ((segid A and resid 7 and name HG# )) ((segid A and resid 10 and name HN )) 5.69 3.89 0.00
assign ((segid A and resid 7 and name HG# )) ((segid A and resid 61 and name HN )) 5.92 4.12 0.00
assign ((segid A and resid 7 and name HG# )) ((segid A and resid 61 and name HG# )) 3.63 1.83 0.00
assign ((segid A and resid 7 and name HG# )) ((segid A and resid 62 and name HN )) 5.92 4.12 0.00
assign ((segid A and resid 8 and name HB# )) ((segid A and resid 9 and name HN )) 4.11 2.31 0.00
assign ((segid A and resid 8 and name HB# )) ((segid A and resid 11 and name HN )) 5.50 3.70 0.00
assign ((segid A and resid 8 and name HB# )) ((segid A and resid 11 and name HG2# )) 5.14 3.34 0.00
assign ((segid A and resid 10 and name HB# )) ((segid A and resid 37 and name HG# )) 5.18 3.38 0.00
assign ((segid A and resid 10 and name HB# )) ((segid A and resid 59 and name HD# )) 4.40 2.60 0.00
assign ((segid A and resid 10 and name HB# )) ((segid A and resid 62 and name HN )) 5.81 4.01 0.00
assign ((segid A and resid 10 and name HB# )) ((segid A and resid 62 and name HB# )) 4.94 3.14 0.00
assign ((segid A and resid 10 and name HE# )) ((segid A and resid 37 and name HG# )) 3.51 1.71 0.00
assign ((segid A and resid 10 and name HE# )) ((segid A and resid 59 and name HD# )) 3.82 2.02 0.00
assign ((segid A and resid 10 and name HD# )) ((segid A and resid 37 and name HG# )) 3.82 2.02 0.00
assign ((segid A and resid 10 and name HZ )) ((segid A and resid 37 and name HG# )) 3.15 1.35 0.00
assign ((segid A and resid 11 and name HN )) ((segid A and resid 11 and name HG1# )) 4.15 2.35 0.00
assign ((segid A and resid 11 and name HN )) ((segid A and resid 61 and name HG# )) 5.81 4.01 0.00
assign ((segid A and resid 11 and name HB )) ((segid A and resid 61 and name HG# )) 5.81 4.01 0.00
assign ((segid A and resid 11 and name HG2# )) ((segid A and resid 12 and name HG# )) 4.76 2.96 0.00
assign ((segid A and resid 11 and name HG2# )) ((segid A and resid 14 and name HD# )) 3.52 1.72 0.00
assign ((segid A and resid 11 and name HG1# )) ((segid A and resid 13 and name HN )) 5.81 4.01 0.00
assign ((segid A and resid 11 and name HG1# )) ((segid A and resid 61 and name HG# )) 4.17 2.37 0.00
assign ((segid A and resid 11 and name HG1# )) ((segid A and resid 62 and name HN )) 3.89 2.09 0.00
assign ((segid A and resid 11 and name HG1# )) ((segid A and resid 62 and name HA )) 3.48 1.68 0.00
assign ((segid A and resid 11 and name HD1# )) ((segid A and resid 14 and name HD# )) 4.10 2.30 0.00
assign ((segid A and resid 11 and name HD1# )) ((segid A and resid 61 and name HB# )) 4.40 2.60 0.00
assign ((segid A and resid 11 and name HD1# )) ((segid A and resid 61 and name HG# )) 4.07 2.27 0.00
assign ((segid A and resid 12 and name HN )) ((segid A and resid 12 and name HB# )) 3.32 1.52 0.00
assign ((segid A and resid 12 and name HN )) ((segid A and resid 12 and name HG# )) 3.70 1.90 0.00
assign ((segid A and resid 12 and name HN )) ((segid A and resid 13 and name HB# )) 5.03 3.23 0.00
assign ((segid A and resid 12 and name HN )) ((segid A and resid 14 and name HD# )) 4.62 2.82 0.00
assign ((segid A and resid 12 and name HA )) ((segid A and resid 12 and name HG# )) 3.35 1.55 0.00
assign ((segid A and resid 12 and name HG# )) ((segid A and resid 13 and name HN )) 5.81 4.01 0.00
assign ((segid A and resid 13 and name HN )) ((segid A and resid 14 and name HD# )) 5.38 3.58 0.00
assign ((segid A and resid 13 and name HB# )) ((segid A and resid 15 and name HN )) 5.81 4.01 0.00
assign ((segid A and resid 13 and name HB# )) ((segid A and resid 33 and name HE# )) 4.45 2.65 0.00
assign ((segid A and resid 14 and name HN )) ((segid A and resid 14 and name HB# )) 3.54 1.74 0.00
assign ((segid A and resid 14 and name HN )) ((segid A and resid 14 and name HD# )) 3.38 1.58 0.00
assign ((segid A and resid 14 and name HN )) ((segid A and resid 33 and name HB# )) 5.81 4.01 0.00
assign ((segid A and resid 14 and name HA )) ((segid A and resid 33 and name HB# )) 5.69 3.89 0.00
assign ((segid A and resid 14 and name HB# )) ((segid A and resid 18 and name HG2# )) 3.94 2.14 0.00
assign ((segid A and resid 14 and name HB# )) ((segid A and resid 18 and name HD1# )) 4.85 3.05 0.00
assign ((segid A and resid 14 and name HD# )) ((segid A and resid 15 and name HN )) 3.80 2.00 0.00
assign ((segid A and resid 14 and name HD# )) ((segid A and resid 17 and name HN )) 5.92 4.12 0.00
assign ((segid A and resid 14 and name HD# )) ((segid A and resid 29 and name HN )) 5.92 4.12 0.00
assign ((segid A and resid 14 and name HD# )) ((segid A and resid 29 and name HB# )) 5.92 4.12 0.00
assign ((segid A and resid 14 and name HD# )) ((segid A and resid 30 and name HN )) 5.92 4.12 0.00
assign ((segid A and resid 14 and name HD# )) ((segid A and resid 30 and name HA )) 4.69 2.89 0.00
assign ((segid A and resid 14 and name HD# )) ((segid A and resid 33 and name HN )) 5.92 4.12 0.00
assign ((segid A and resid 14 and name HD# )) ((segid A and resid 33 and name HB# )) 5.07 3.27 0.00
assign ((segid A and resid 14 and name HD# )) ((segid A and resid 33 and name HE# )) 3.89 2.09 0.00
assign ((segid A and resid 14 and name HD# )) ((segid A and resid 33 and name HD# )) 3.78 1.98 0.00
assign ((segid A and resid 14 and name HD# )) ((segid A and resid 34 and name HN )) 5.87 4.07 0.00
assign ((segid A and resid 14 and name HD# )) ((segid A and resid 59 and name HD# )) 4.52 2.72 0.00
assign ((segid A and resid 14 and name HD# )) ((segid A and resid 61 and name HG# )) 5.73 3.93 0.00
assign ((segid A and resid 14 and name HD# )) ((segid A and resid 62 and name HA )) 3.88 2.08 0.00
assign ((segid A and resid 14 and name HD# )) ((segid A and resid 62 and name HB# )) 2.93 1.13 0.00
assign ((segid A and resid 14 and name HD# )) ((segid A and resid 63 and name HN )) 5.44 3.64 0.00
assign ((segid A and resid 14 and name HD# )) ((segid A and resid 63 and name HA )) 4.16 2.36 0.00
assign ((segid A and resid 14 and name HD# )) ((segid A and resid 66 and name HN )) 5.92 4.12 0.00
assign ((segid A and resid 14 and name HD# )) ((segid A and resid 66 and name HB )) 3.94 2.14 0.00
assign ((segid A and resid 15 and name HN )) ((segid A and resid 15 and name HB# )) 3.39 1.59 0.00
assign ((segid A and resid 15 and name HB# )) ((segid A and resid 16 and name HN )) 3.15 1.35 0.00
assign ((segid A and resid 16 and name HA )) ((segid A and resid 16 and name HG# )) 3.17 1.37 0.00
assign ((segid A and resid 16 and name HG# )) ((segid A and resid 17 and name HA )) 4.44 2.64 0.00
assign ((segid A and resid 16 and name HG# )) ((segid A and resid 18 and name HN )) 5.81 4.01 0.00
assign ((segid A and resid 16 and name HG# )) ((segid A and resid 20 and name HN )) 4.50 2.70 0.00
assign ((segid A and resid 16 and name HG# )) ((segid A and resid 21 and name HN )) 4.45 2.65 0.00
assign ((segid A and resid 16 and name HG# )) ((segid A and resid 22 and name HN )) 4.06 2.26 0.00
assign ((segid A and resid 17 and name HA )) ((segid A and resid 20 and name HG# )) 5.81 4.01 0.00
assign ((segid A and resid 17 and name HB# )) ((segid A and resid 18 and name HG2# )) 4.06 2.26 0.00
assign ((segid A and resid 17 and name HB# )) ((segid A and resid 19 and name HN )) 4.75 2.95 0.00
assign ((segid A and resid 18 and name HA )) ((segid A and resid 26 and name HB# )) 4.18 2.38 0.00
assign ((segid A and resid 18 and name HA )) ((segid A and resid 26 and name HG# )) 4.77 2.97 0.00
assign ((segid A and resid 18 and name HG2# )) ((segid A and resid 24 and name HG# )) 5.29 3.49 0.00
assign ((segid A and resid 18 and name HG2# )) ((segid A and resid 26 and name HG# )) 3.37 1.57 0.00
assign ((segid A and resid 18 and name HD1# )) ((segid A and resid 26 and name HG# )) 4.13 2.33 0.00
assign ((segid A and resid 18 and name HD1# )) ((segid A and resid 70 and name HG# )) 4.94 3.14 0.00
assign ((segid A and resid 19 and name HN )) ((segid A and resid 19 and name HG# )) 4.65 2.85 0.00
assign ((segid A and resid 19 and name HN )) ((segid A and resid 26 and name HG# )) 5.81 4.01 0.00
assign ((segid A and resid 19 and name HA )) ((segid A and resid 19 and name HG# )) 3.55 1.75 0.00
assign ((segid A and resid 20 and name HN )) ((segid A and resid 21 and name HB# )) 5.81 4.01 0.00
assign ((segid A and resid 20 and name HA )) ((segid A and resid 20 and name HG# )) 3.33 1.53 0.00
assign ((segid A and resid 20 and name HB# )) ((segid A and resid 21 and name HN )) 3.28 1.48 0.00
assign ((segid A and resid 20 and name HB# )) ((segid A and resid 22 and name HN )) 4.31 2.51 0.00
assign ((segid A and resid 21 and name HN )) ((segid A and resid 21 and name HB# )) 3.28 1.48 0.00
assign ((segid A and resid 21 and name HN )) ((segid A and resid 22 and name HB# )) 4.16 2.36 0.00
assign ((segid A and resid 21 and name HA )) ((segid A and resid 22 and name HB# )) 5.81 4.01 0.00
assign ((segid A and resid 21 and name HB# )) ((segid A and resid 24 and name HN )) 5.81 4.01 0.00
assign ((segid A and resid 22 and name HN )) ((segid A and resid 22 and name HB# )) 3.34 1.54 0.00
assign ((segid A and resid 22 and name HN )) ((segid A and resid 22 and name HG# )) 4.88 3.08 0.00
assign ((segid A and resid 22 and name HA )) ((segid A and resid 22 and name HG# )) 3.32 1.52 0.00
assign ((segid A and resid 22 and name HB# )) ((segid A and resid 23 and name HN )) 3.59 1.79 0.00
assign ((segid A and resid 22 and name HG# )) ((segid A and resid 23 and name HN )) 4.37 2.57 0.00
assign ((segid A and resid 24 and name HN )) ((segid A and resid 24 and name HG# )) 4.41 2.61 0.00
assign ((segid A and resid 24 and name HA )) ((segid A and resid 24 and name HG# )) 3.57 1.77 0.00
assign ((segid A and resid 24 and name HG# )) ((segid A and resid 29 and name HN )) 4.36 2.56 0.00
assign ((segid A and resid 24 and name HG# )) ((segid A and resid 29 and name HB# )) 3.65 1.85 0.00
assign ((segid A and resid 24 and name HG# )) ((segid A and resid 32 and name HN )) 5.05 3.25 0.00
assign ((segid A and resid 24 and name HG# )) ((segid A and resid 33 and name HN )) 4.31 2.51 0.00
assign ((segid A and resid 25 and name HA )) ((segid A and resid 26 and name HB# )) 5.30 3.50 0.00
assign ((segid A and resid 26 and name HN )) ((segid A and resid 26 and name HB# )) 3.56 1.76 0.00
assign ((segid A and resid 26 and name HN )) ((segid A and resid 26 and name HG# )) 4.42 2.62 0.00
assign ((segid A and resid 26 and name HA )) ((segid A and resid 26 and name HG# )) 3.65 1.85 0.00
assign ((segid A and resid 26 and name HB# )) ((segid A and resid 27 and name HG1# )) 5.61 3.81 0.00
assign ((segid A and resid 26 and name HB# )) ((segid A and resid 29 and name HN )) 5.81 4.01 0.00
assign ((segid A and resid 26 and name HG# )) ((segid A and resid 27 and name HN )) 4.41 2.61 0.00
assign ((segid A and resid 26 and name HG# )) ((segid A and resid 29 and name HN )) 5.81 4.01 0.00
assign ((segid A and resid 27 and name HN )) ((segid A and resid 27 and name HG1# )) 5.81 4.01 0.00
assign ((segid A and resid 27 and name HA )) ((segid A and resid 66 and name HG# )) 5.34 3.54 0.00
assign ((segid A and resid 27 and name HA )) ((segid A and resid 67 and name HD# )) 4.95 3.15 0.00
assign ((segid A and resid 27 and name HG2# )) ((segid A and resid 27 and name HG1# )) 3.17 1.37 0.00
assign ((segid A and resid 27 and name HG2# )) ((segid A and resid 67 and name HD# )) 5.75 3.95 0.00
assign ((segid A and resid 27 and name HG1# )) ((segid A and resid 71 and name HN )) 5.81 4.01 0.00
assign ((segid A and resid 27 and name HD1# )) ((segid A and resid 67 and name HD# )) 2.68 0.88 0.00
assign ((segid A and resid 27 and name HD1# )) ((segid A and resid 70 and name HB# )) 5.40 3.60 0.00
assign ((segid A and resid 27 and name HD1# )) ((segid A and resid 70 and name HG# )) 5.81 4.01 0.00
assign ((segid A and resid 29 and name HN )) ((segid A and resid 66 and name HG# )) 4.13 2.33 0.00
assign ((segid A and resid 29 and name HB# )) ((segid A and resid 33 and name HB# )) 4.28 2.48 0.00
assign ((segid A and resid 30 and name HN )) ((segid A and resid 33 and name HB# )) 4.41 2.61 0.00
assign ((segid A and resid 30 and name HN )) ((segid A and resid 67 and name HD# )) 5.77 3.97 0.00
assign ((segid A and resid 30 and name HA )) ((segid A and resid 33 and name HB# )) 5.81 4.01 0.00
assign ((segid A and resid 30 and name HA )) ((segid A and resid 66 and name HG# )) 4.12 2.32 0.00
assign ((segid A and resid 31 and name HN )) ((segid A and resid 33 and name HB# )) 5.03 3.23 0.00
assign ((segid A and resid 32 and name HN )) ((segid A and resid 33 and name HB# )) 5.81 4.01 0.00
assign ((segid A and resid 33 and name HN )) ((segid A and resid 33 and name HB# )) 3.30 1.50 0.00
assign ((segid A and resid 33 and name HB# )) ((segid A and resid 34 and name HN )) 4.05 2.25 0.00
assign ((segid A and resid 33 and name HB# )) ((segid A and resid 35 and name HN )) 5.72 3.92 0.00
assign ((segid A and resid 33 and name HE# )) ((segid A and resid 37 and name HG# )) 3.92 2.12 0.00
assign ((segid A and resid 33 and name HE# )) ((segid A and resid 59 and name HD# )) 3.35 1.55 0.00
assign ((segid A and resid 33 and name HD# )) ((segid A and resid 37 and name HG# )) 4.43 2.63 0.00
assign ((segid A and resid 33 and name HD# )) ((segid A and resid 59 and name HD# )) 4.17 2.37 0.00
assign ((segid A and resid 34 and name HN )) ((segid A and resid 38 and name HG# )) 5.63 3.83 0.00
assign ((segid A and resid 34 and name HB# )) ((segid A and resid 38 and name HG# )) 5.38 3.58 0.00
assign ((segid A and resid 34 and name HE# )) ((segid A and resid 37 and name HG# )) 5.11 3.31 0.00
assign ((segid A and resid 34 and name HE# )) ((segid A and resid 38 and name HG# )) 4.34 2.54 0.00
assign ((segid A and resid 34 and name HE# )) ((segid A and resid 60 and name HB# )) 5.34 3.54 0.00
assign ((segid A and resid 34 and name HE# )) ((segid A and resid 63 and name HB# )) 4.23 2.43 0.00
assign ((segid A and resid 34 and name HD# )) ((segid A and resid 38 and name HG# )) 5.60 3.80 0.00
assign ((segid A and resid 34 and name HD# )) ((segid A and resid 59 and name HD# )) 5.13 3.33 0.00
assign ((segid A and resid 34 and name HD# )) ((segid A and resid 63 and name HB# )) 4.17 2.37 0.00
assign ((segid A and resid 35 and name HN )) ((segid A and resid 35 and name HB# )) 3.14 1.34 0.00
assign ((segid A and resid 36 and name HN )) ((segid A and resid 37 and name HG# )) 4.85 3.05 0.00
assign ((segid A and resid 37 and name HN )) ((segid A and resid 37 and name HG# )) 3.40 1.60 0.00
assign ((segid A and resid 37 and name HN )) ((segid A and resid 38 and name HG# )) 4.65 2.85 0.00
assign ((segid A and resid 37 and name HN )) ((segid A and resid 59 and name HD# )) 4.49 2.69 0.00
assign ((segid A and resid 37 and name HA )) ((segid A and resid 37 and name HG# )) 2.77 0.97 0.00
assign ((segid A and resid 37 and name HB )) ((segid A and resid 38 and name HG# )) 4.93 3.13 0.00
assign ((segid A and resid 37 and name HB )) ((segid A and resid 59 and name HD# )) 4.41 2.61 0.00
assign ((segid A and resid 37 and name HG# )) ((segid A and resid 38 and name HN )) 3.19 1.39 0.00
assign ((segid A and resid 37 and name HG# )) ((segid A and resid 38 and name HA )) 3.47 1.67 0.00
assign ((segid A and resid 37 and name HG# )) ((segid A and resid 40 and name HB )) 5.24 3.44 0.00
assign ((segid A and resid 37 and name HG# )) ((segid A and resid 40 and name HG2# )) 4.87 3.07 0.00
assign ((segid A and resid 37 and name HG# )) ((segid A and resid 41 and name HN )) 3.85 2.05 0.00
assign ((segid A and resid 37 and name HG# )) ((segid A and resid 41 and name HB# )) 3.95 2.15 0.00
assign ((segid A and resid 37 and name HG# )) ((segid A and resid 41 and name HD# )) 2.99 1.19 0.00
assign ((segid A and resid 37 and name HG# )) ((segid A and resid 42 and name HN )) 5.25 3.45 0.00
assign ((segid A and resid 37 and name HG# )) ((segid A and resid 56 and name HA )) 5.51 3.71 0.00
assign ((segid A and resid 37 and name HG# )) ((segid A and resid 59 and name HN )) 5.52 3.72 0.00
assign ((segid A and resid 37 and name HG# )) ((segid A and resid 59 and name HD# )) 3.18 1.38 0.00
assign ((segid A and resid 38 and name HN )) ((segid A and resid 38 and name HG# )) 3.11 1.31 0.00
assign ((segid A and resid 38 and name HN )) ((segid A and resid 39 and name HB# )) 5.04 3.24 0.00
assign ((segid A and resid 38 and name HN )) ((segid A and resid 41 and name HD# )) 5.18 3.38 0.00
assign ((segid A and resid 38 and name HA )) ((segid A and resid 41 and name HD# )) 4.41 2.61 0.00
assign ((segid A and resid 38 and name HA )) ((segid A and resid 42 and name HG# )) 5.92 4.12 0.00
assign ((segid A and resid 38 and name HG# )) ((segid A and resid 39 and name HN )) 5.92 4.12 0.00
assign ((segid A and resid 38 and name HG# )) ((segid A and resid 59 and name HB2 )) 5.57 3.77 0.00
assign ((segid A and resid 38 and name HG# )) ((segid A and resid 59 and name HD# )) 3.42 1.62 0.00
assign ((segid A and resid 39 and name HN )) ((segid A and resid 39 and name HB# )) 3.32 1.52 0.00
assign ((segid A and resid 39 and name HN )) ((segid A and resid 42 and name HG# )) 5.92 4.12 0.00
assign ((segid A and resid 39 and name HA )) ((segid A and resid 42 and name HG# )) 5.92 4.12 0.00
assign ((segid A and resid 39 and name HB# )) ((segid A and resid 40 and name HN )) 3.30 1.50 0.00
assign ((segid A and resid 39 and name HB# )) ((segid A and resid 40 and name HG2# )) 5.81 4.01 0.00
assign ((segid A and resid 39 and name HB# )) ((segid A and resid 41 and name HN )) 5.78 3.98 0.00
assign ((segid A and resid 39 and name HB# )) ((segid A and resid 42 and name HN )) 5.81 4.01 0.00
assign ((segid A and resid 40 and name HN )) ((segid A and resid 41 and name HB# )) 5.33 3.53 0.00
assign ((segid A and resid 40 and name HN )) ((segid A and resid 41 and name HD# )) 5.35 3.55 0.00
assign ((segid A and resid 40 and name HN )) ((segid A and resid 42 and name HG# )) 5.56 3.76 0.00
assign ((segid A and resid 40 and name HN )) ((segid A and resid 43 and name HB# )) 5.84 4.04 0.00
assign ((segid A and resid 40 and name HB )) ((segid A and resid 41 and name HD# )) 5.92 4.12 0.00
assign ((segid A and resid 40 and name HG2# )) ((segid A and resid 41 and name HB# )) 4.60 2.80 0.00
assign ((segid A and resid 40 and name HG2# )) ((segid A and resid 41 and name HD# )) 5.10 3.30 0.00
assign ((segid A and resid 40 and name HG2# )) ((segid A and resid 43 and name HB# )) 5.81 4.01 0.00
assign ((segid A and resid 40 and name HG2# )) ((segid A and resid 43 and name HG# )) 5.81 4.01 0.00
assign ((segid A and resid 41 and name HN )) ((segid A and resid 41 and name HB# )) 3.06 1.26 0.00
assign ((segid A and resid 41 and name HN )) ((segid A and resid 41 and name HD# )) 3.85 2.05 0.00
assign ((segid A and resid 41 and name HA )) ((segid A and resid 41 and name HD# )) 3.95 2.15 0.00
assign ((segid A and resid 41 and name HG )) ((segid A and resid 59 and name HD# )) 5.92 4.12 0.00
assign ((segid A and resid 41 and name HD# )) ((segid A and resid 42 and name HN )) 4.31 2.51 0.00
assign ((segid A and resid 41 and name HD# )) ((segid A and resid 52 and name HA )) 5.92 4.12 0.00
assign ((segid A and resid 41 and name HD# )) ((segid A and resid 55 and name HN )) 5.10 3.30 0.00
assign ((segid A and resid 41 and name HD# )) ((segid A and resid 55 and name HA )) 4.81 3.01 0.00
assign ((segid A and resid 41 and name HD# )) ((segid A and resid 56 and name HN )) 5.92 4.12 0.00
assign ((segid A and resid 42 and name HN )) ((segid A and resid 42 and name HG# )) 3.52 1.72 0.00
assign ((segid A and resid 42 and name HN )) ((segid A and resid 44 and name HB# )) 5.81 4.01 0.00
assign ((segid A and resid 42 and name HA )) ((segid A and resid 42 and name HG# )) 3.12 1.32 0.00
assign ((segid A and resid 42 and name HA )) ((segid A and resid 52 and name HG# )) 4.50 2.70 0.00
assign ((segid A and resid 42 and name HB )) ((segid A and resid 52 and name HG# )) 5.92 4.12 0.00
assign ((segid A and resid 42 and name HG# )) ((segid A and resid 43 and name HN )) 3.96 2.16 0.00
assign ((segid A and resid 42 and name HG# )) ((segid A and resid 43 and name HB# )) 5.73 3.93 0.00
assign ((segid A and resid 42 and name HG# )) ((segid A and resid 43 and name HG# )) 5.73 3.93 0.00
assign ((segid A and resid 42 and name HG# )) ((segid A and resid 44 and name HN )) 4.47 2.67 0.00
assign ((segid A and resid 42 and name HG# )) ((segid A and resid 44 and name HB# )) 5.73 3.93 0.00
assign ((segid A and resid 42 and name HG# )) ((segid A and resid 52 and name HN )) 5.92 4.12 0.00
assign ((segid A and resid 42 and name HG# )) ((segid A and resid 56 and name HG1# )) 5.66 3.86 0.00
assign ((segid A and resid 43 and name HN )) ((segid A and resid 44 and name HB# )) 5.33 3.53 0.00
assign ((segid A and resid 43 and name HA )) ((segid A and resid 43 and name HG# )) 3.55 1.75 0.00
assign ((segid A and resid 44 and name HN )) ((segid A and resid 44 and name HB# )) 3.23 1.43 0.00
assign ((segid A and resid 44 and name HB# )) ((segid A and resid 46 and name HN )) 5.87 4.07 0.00
assign ((segid A and resid 45 and name HN )) ((segid A and resid 45 and name HG# )) 4.73 2.93 0.00
assign ((segid A and resid 45 and name HN )) ((segid A and resid 46 and name HB# )) 5.81 4.01 0.00
assign ((segid A and resid 45 and name HA )) ((segid A and resid 45 and name HG# )) 3.71 1.91 0.00
assign ((segid A and resid 45 and name HG# )) ((segid A and resid 46 and name HN )) 4.21 2.41 0.00
assign ((segid A and resid 45 and name HG# )) ((segid A and resid 46 and name HA )) 4.40 2.60 0.00
assign ((segid A and resid 45 and name HG# )) ((segid A and resid 46 and name HB# )) 5.61 3.81 0.00
assign ((segid A and resid 45 and name HG# )) ((segid A and resid 46 and name HG )) 5.81 4.01 0.00
assign ((segid A and resid 45 and name HG# )) ((segid A and resid 47 and name HN )) 3.73 1.93 0.00
assign ((segid A and resid 45 and name HG# )) ((segid A and resid 48 and name HN )) 5.81 4.01 0.00
assign ((segid A and resid 45 and name HG# )) ((segid A and resid 51 and name HG# )) 4.15 2.35 0.00
assign ((segid A and resid 45 and name HG# )) ((segid A and resid 52 and name HN )) 5.84 4.04 0.00
assign ((segid A and resid 46 and name HN )) ((segid A and resid 46 and name HB# )) 3.08 1.28 0.00
assign ((segid A and resid 46 and name HA )) ((segid A and resid 46 and name HD# )) 3.78 1.98 0.00
assign ((segid A and resid 46 and name HB# )) ((segid A and resid 47 and name HA )) 5.81 4.01 0.00
assign ((segid A and resid 46 and name HD# )) ((segid A and resid 48 and name HN )) 5.47 3.67 0.00
assign ((segid A and resid 47 and name HN )) ((segid A and resid 51 and name HG# )) 3.72 1.92 0.00
assign ((segid A and resid 47 and name HA )) ((segid A and resid 48 and name HB# )) 5.81 4.01 0.00
assign ((segid A and resid 47 and name HA )) ((segid A and resid 51 and name HG# )) 4.87 3.07 0.00
assign ((segid A and resid 47 and name HB )) ((segid A and resid 51 and name HG# )) 4.45 2.65 0.00
assign ((segid A and resid 47 and name HB )) ((segid A and resid 52 and name HG# )) 5.52 3.72 0.00
assign ((segid A and resid 47 and name HG2# )) ((segid A and resid 48 and name HB# )) 3.72 1.92 0.00
assign ((segid A and resid 47 and name HG2# )) ((segid A and resid 51 and name HG# )) 2.41 0.61 0.00
assign ((segid A and resid 48 and name HN )) ((segid A and resid 48 and name HB# )) 3.41 1.61 0.00
assign ((segid A and resid 48 and name HN )) ((segid A and resid 48 and name HG# )) 4.08 2.28 0.00
assign ((segid A and resid 48 and name HN )) ((segid A and resid 51 and name HG# )) 4.66 2.86 0.00
assign ((segid A and resid 48 and name HN )) ((segid A and resid 52 and name HG# )) 4.73 2.93 0.00
assign ((segid A and resid 48 and name HB# )) ((segid A and resid 49 and name HN )) 3.64 1.84 0.00
assign ((segid A and resid 48 and name HB# )) ((segid A and resid 50 and name HN )) 3.96 2.16 0.00
assign ((segid A and resid 48 and name HB# )) ((segid A and resid 50 and name HB# )) 4.57 2.77 0.00
assign ((segid A and resid 48 and name HB# )) ((segid A and resid 51 and name HG# )) 3.02 1.22 0.00
assign ((segid A and resid 48 and name HG# )) ((segid A and resid 49 and name HN )) 3.83 2.03 0.00
assign ((segid A and resid 48 and name HG# )) ((segid A and resid 50 and name HN )) 4.76 2.96 0.00
assign ((segid A and resid 48 and name HG# )) ((segid A and resid 50 and name HA )) 4.54 2.74 0.00
assign ((segid A and resid 48 and name HG# )) ((segid A and resid 51 and name HN )) 4.24 2.44 0.00
assign ((segid A and resid 48 and name HG# )) ((segid A and resid 51 and name HG# )) 3.37 1.57 0.00
assign ((segid A and resid 48 and name HG# )) ((segid A and resid 52 and name HN )) 4.79 2.99 0.00
assign ((segid A and resid 48 and name HE# )) ((segid A and resid 49 and name HN )) 5.81 4.01 0.00
assign ((segid A and resid 48 and name HE# )) ((segid A and resid 49 and name HA )) 5.81 4.01 0.00
assign ((segid A and resid 48 and name HE# )) ((segid A and resid 50 and name HN )) 4.16 2.36 0.00
assign ((segid A and resid 48 and name HE# )) ((segid A and resid 50 and name HB# )) 4.62 2.82 0.00
assign ((segid A and resid 49 and name HN )) ((segid A and resid 49 and name HB# )) 3.53 1.73 0.00
assign ((segid A and resid 49 and name HA )) ((segid A and resid 52 and name HG# )) 5.15 3.35 0.00
assign ((segid A and resid 49 and name HA )) ((segid A and resid 53 and name HB# )) 4.67 2.87 0.00
assign ((segid A and resid 49 and name HB# )) ((segid A and resid 50 and name HN )) 3.56 1.76 0.00
assign ((segid A and resid 49 and name HB# )) ((segid A and resid 50 and name HB# )) 5.09 3.29 0.00
assign ((segid A and resid 49 and name HB# )) ((segid A and resid 51 and name HN )) 5.81 4.01 0.00
assign ((segid A and resid 49 and name HB# )) ((segid A and resid 52 and name HG# )) 4.89 3.09 0.00
assign ((segid A and resid 49 and name HB# )) ((segid A and resid 53 and name HN )) 5.81 4.01 0.00
assign ((segid A and resid 49 and name HB# )) ((segid A and resid 53 and name HD# )) 4.19 2.39 0.00
assign ((segid A and resid 50 and name HN )) ((segid A and resid 51 and name HG# )) 4.91 3.11 0.00
assign ((segid A and resid 50 and name HN )) ((segid A and resid 52 and name HG# )) 4.38 2.58 0.00
assign ((segid A and resid 50 and name HB# )) ((segid A and resid 51 and name HG# )) 3.62 1.82 0.00
assign ((segid A and resid 51 and name HN )) ((segid A and resid 51 and name HG# )) 3.21 1.41 0.00
assign ((segid A and resid 51 and name HN )) ((segid A and resid 52 and name HG# )) 4.77 2.97 0.00
assign ((segid A and resid 51 and name HA )) ((segid A and resid 51 and name HG# )) 2.78 0.98 0.00
assign ((segid A and resid 51 and name HA )) ((segid A and resid 54 and name HB# )) 4.85 3.05 0.00
assign ((segid A and resid 51 and name HB )) ((segid A and resid 52 and name HG# )) 4.56 2.76 0.00
assign ((segid A and resid 51 and name HG# )) ((segid A and resid 52 and name HN )) 3.46 1.66 0.00
assign ((segid A and resid 51 and name HG# )) ((segid A and resid 52 and name HA )) 5.92 4.12 0.00
assign ((segid A and resid 51 and name HG# )) ((segid A and resid 54 and name HN )) 5.92 4.12 0.00
assign ((segid A and resid 51 and name HG# )) ((segid A and resid 54 and name HG# )) 5.06 3.26 0.00
assign ((segid A and resid 51 and name HG# )) ((segid A and resid 54 and name HE# )) 5.92 4.12 0.00
assign ((segid A and resid 52 and name HN )) ((segid A and resid 52 and name HG# )) 3.63 1.83 0.00
assign ((segid A and resid 52 and name HN )) ((segid A and resid 53 and name HB# )) 5.14 3.34 0.00
assign ((segid A and resid 52 and name HN )) ((segid A and resid 54 and name HD# )) 5.60 3.80 0.00
assign ((segid A and resid 52 and name HA )) ((segid A and resid 52 and name HG# )) 3.02 1.22 0.00
assign ((segid A and resid 52 and name HG# )) ((segid A and resid 53 and name HN )) 3.44 1.64 0.00
assign ((segid A and resid 52 and name HG# )) ((segid A and resid 53 and name HA )) 3.63 1.83 0.00
assign ((segid A and resid 52 and name HG# )) ((segid A and resid 53 and name HB# )) 3.96 2.16 0.00
assign ((segid A and resid 52 and name HG# )) ((segid A and resid 54 and name HN )) 4.78 2.98 0.00
assign ((segid A and resid 52 and name HG# )) ((segid A and resid 54 and name HD# )) 5.34 3.54 0.00
assign ((segid A and resid 52 and name HG# )) ((segid A and resid 55 and name HN )) 4.81 3.01 0.00
assign ((segid A and resid 52 and name HG# )) ((segid A and resid 56 and name HB )) 5.92 4.12 0.00
assign ((segid A and resid 53 and name HN )) ((segid A and resid 53 and name HB# )) 3.19 1.39 0.00
assign ((segid A and resid 53 and name HN )) ((segid A and resid 53 and name HD# )) 3.88 2.08 0.00
assign ((segid A and resid 53 and name HN )) ((segid A and resid 54 and name HD# )) 5.39 3.59 0.00
assign ((segid A and resid 53 and name HN )) ((segid A and resid 56 and name HG1# )) 4.64 2.84 0.00
assign ((segid A and resid 53 and name HA )) ((segid A and resid 53 and name HD# )) 3.45 1.65 0.00
assign ((segid A and resid 53 and name HB# )) ((segid A and resid 53 and name HD# )) 2.67 0.87 0.00
assign ((segid A and resid 53 and name HD# )) ((segid A and resid 54 and name HN )) 5.27 3.47 0.00
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assign ((segid A and resid 53 and name HD# )) ((segid A and resid 56 and name HB )) 4.14 2.34 0.00
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assign ((segid A and resid 53 and name HD# )) ((segid A and resid 57 and name HA )) 4.80 3.00 0.00
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assign ((segid A and resid 54 and name HN )) ((segid A and resid 56 and name HG1# )) 5.81 4.01 0.00
assign ((segid A and resid 54 and name HN )) ((segid A and resid 57 and name HG# )) 4.90 3.10 0.00
assign ((segid A and resid 54 and name HA )) ((segid A and resid 54 and name HG# )) 3.63 1.83 0.00
assign ((segid A and resid 54 and name HA )) ((segid A and resid 57 and name HG# )) 5.81 4.01 0.00
assign ((segid A and resid 54 and name HB# )) ((segid A and resid 54 and name HE# )) 4.64 2.84 0.00
assign ((segid A and resid 54 and name HG# )) ((segid A and resid 54 and name HE# )) 2.95 1.15 0.00
assign ((segid A and resid 54 and name HG# )) ((segid A and resid 55 and name HN )) 5.81 4.01 0.00
assign ((segid A and resid 55 and name HN )) ((segid A and resid 57 and name HG# )) 5.31 3.51 0.00
assign ((segid A and resid 56 and name HA )) ((segid A and resid 59 and name HD# )) 5.92 4.12 0.00
assign ((segid A and resid 56 and name HG2# )) ((segid A and resid 57 and name HG# )) 5.81 4.01 0.00
assign ((segid A and resid 56 and name HG2# )) ((segid A and resid 59 and name HD# )) 4.29 2.49 0.00
assign ((segid A and resid 56 and name HG1# )) ((segid A and resid 57 and name HN )) 4.04 2.24 0.00
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assign ((segid A and resid 59 and name HA )) ((segid A and resid 59 and name HD# )) 3.81 2.01 0.00
assign ((segid A and resid 59 and name HB2 )) ((segid A and resid 61 and name HG# )) 5.81 4.01 0.00
assign ((segid A and resid 59 and name HD# )) ((segid A and resid 60 and name HN )) 4.82 3.02 0.00
assign ((segid A and resid 59 and name HD# )) ((segid A and resid 62 and name HB# )) 4.09 2.29 0.00
assign ((segid A and resid 60 and name HN )) ((segid A and resid 61 and name HB# )) 5.78 3.98 0.00
assign ((segid A and resid 60 and name HN )) ((segid A and resid 61 and name HG# )) 5.81 4.01 0.00
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assign ((segid A and resid 60 and name HB# )) ((segid A and resid 62 and name HN )) 5.81 4.01 0.00
assign ((segid A and resid 60 and name HB# )) ((segid A and resid 63 and name HN )) 5.81 4.01 0.00
assign ((segid A and resid 60 and name HB# )) ((segid A and resid 63 and name HE# )) 5.06 3.26 0.00
assign ((segid A and resid 60 and name HB# )) ((segid A and resid 63 and name HD# )) 5.18 3.38 0.00
assign ((segid A and resid 61 and name HN )) ((segid A and resid 61 and name HB# )) 3.41 1.61 0.00
assign ((segid A and resid 61 and name HN )) ((segid A and resid 61 and name HG# )) 3.49 1.69 0.00
assign ((segid A and resid 61 and name HA )) ((segid A and resid 61 and name HG# )) 3.56 1.76 0.00
assign ((segid A and resid 61 and name HB# )) ((segid A and resid 62 and name HN )) 4.03 2.23 0.00
assign ((segid A and resid 61 and name HG# )) ((segid A and resid 62 and name HN )) 4.10 2.30 0.00
assign ((segid A and resid 61 and name HG# )) ((segid A and resid 65 and name HB# )) 5.61 3.81 0.00
assign ((segid A and resid 62 and name HN )) ((segid A and resid 63 and name HB# )) 5.81 4.01 0.00
assign ((segid A and resid 62 and name HN )) ((segid A and resid 65 and name HB# )) 5.32 3.52 0.00
assign ((segid A and resid 62 and name HA )) ((segid A and resid 65 and name HB# )) 5.41 3.61 0.00
assign ((segid A and resid 63 and name HN )) ((segid A and resid 64 and name HB# )) 5.81 4.01 0.00
assign ((segid A and resid 63 and name HN )) ((segid A and resid 65 and name HB# )) 5.81 4.01 0.00
assign ((segid A and resid 63 and name HB# )) ((segid A and resid 64 and name HN )) 3.57 1.77 0.00
assign ((segid A and resid 63 and name HE# )) ((segid A and resid 67 and name HD# )) 4.83 3.03 0.00
assign ((segid A and resid 65 and name HN )) ((segid A and resid 66 and name HG# )) 5.61 3.81 0.00
assign ((segid A and resid 66 and name HN )) ((segid A and resid 66 and name HG# )) 3.10 1.30 0.00
assign ((segid A and resid 66 and name HA )) ((segid A and resid 66 and name HG# )) 2.95 1.15 0.00
assign ((segid A and resid 66 and name HG# )) ((segid A and resid 67 and name HN )) 3.71 1.91 0.00
assign ((segid A and resid 66 and name HG# )) ((segid A and resid 67 and name HA )) 4.23 2.43 0.00
assign ((segid A and resid 66 and name HG# )) ((segid A and resid 69 and name HN )) 5.92 4.12 0.00
assign ((segid A and resid 66 and name HG# )) ((segid A and resid 70 and name HG# )) 3.12 1.32 0.00
assign ((segid A and resid 67 and name HN )) ((segid A and resid 70 and name HB# )) 5.49 3.69 0.00
assign ((segid A and resid 67 and name HN )) ((segid A and resid 70 and name HG# )) 5.81 4.01 0.00
assign ((segid A and resid 67 and name HA )) ((segid A and resid 67 and name HD# )) 4.81 3.01 0.00
assign ((segid A and resid 67 and name HB2 )) ((segid A and resid 68 and name HD# )) 5.81 4.01 0.00
assign ((segid A and resid 67 and name HD# )) ((segid A and resid 70 and name HN )) 5.81 4.01 0.00
assign ((segid A and resid 68 and name HN )) ((segid A and resid 68 and name HG# )) 3.64 1.84 0.00
assign ((segid A and resid 68 and name HN )) ((segid A and resid 68 and name HD# )) 4.99 3.19 0.00
assign ((segid A and resid 68 and name HN )) ((segid A and resid 70 and name HB# )) 5.81 4.01 0.00
assign ((segid A and resid 68 and name HA )) ((segid A and resid 68 and name HG# )) 3.03 1.23 0.00
assign ((segid A and resid 68 and name HA )) ((segid A and resid 68 and name HD# )) 5.43 3.63 0.00
assign ((segid A and resid 68 and name HB1 )) ((segid A and resid 68 and name HD# )) 3.39 1.59 0.00
assign ((segid A and resid 68 and name HB1 )) ((segid A and resid 69 and name HA# )) 4.46 2.66 0.00
assign ((segid A and resid 68 and name HG# )) ((segid A and resid 69 and name HN )) 4.68 2.88 0.00
assign ((segid A and resid 69 and name HN )) ((segid A and resid 69 and name HA# )) 2.58 0.78 0.00
assign ((segid A and resid 69 and name HN )) ((segid A and resid 70 and name HB# )) 5.81 4.01 0.00
assign ((segid A and resid 69 and name HN )) ((segid A and resid 70 and name HG# )) 4.75 2.95 0.00
assign ((segid A and resid 69 and name HA# )) ((segid A and resid 70 and name HN )) 3.10 1.30 0.00
assign ((segid A and resid 69 and name HA# )) ((segid A and resid 70 and name HA )) 5.24 3.44 0.00
assign ((segid A and resid 70 and name HN )) ((segid A and resid 70 and name HB# )) 3.05 1.25 0.00
assign ((segid A and resid 70 and name HN )) ((segid A and resid 70 and name HG# )) 3.81 2.01 0.00
assign ((segid A and resid 70 and name HA )) ((segid A and resid 70 and name HG# )) 3.08 1.28 0.00
assign ((segid A and resid 71 and name HN )) ((segid A and resid 71 and name HB# )) 3.06 1.26 0.00
assign ((segid A and resid 71 and name HN )) ((segid A and resid 72 and name HG# )) 5.81 4.01 0.00
assign ((segid A and resid 71 and name HA )) ((segid A and resid 72 and name HB# )) 4.87 3.07 0.00
assign ((segid A and resid 71 and name HB# )) ((segid A and resid 72 and name HN )) 3.89 2.09 0.00
assign ((segid A and resid 71 and name HB# )) ((segid A and resid 73 and name HN )) 5.61 3.81 0.00
assign ((segid A and resid 72 and name HN )) ((segid A and resid 72 and name HB# )) 3.48 1.68 0.00
assign ((segid A and resid 72 and name HN )) ((segid A and resid 72 and name HG# )) 4.16 2.36 0.00
assign ((segid A and resid 72 and name HA )) ((segid A and resid 72 and name HG# )) 3.61 1.81 0.00
assign ((segid A and resid 72 and name HA )) ((segid A and resid 72 and name HD# )) 5.81 4.01 0.00
assign ((segid A and resid 72 and name HB# )) ((segid A and resid 73 and name HN )) 3.90 2.10 0.00
assign ((segid A and resid 72 and name HB# )) ((segid A and resid 73 and name HD# )) 5.73 3.93 0.00
assign ((segid A and resid 73 and name HN )) ((segid A and resid 73 and name HB# )) 3.00 1.20 0.00
assign ((segid A and resid 73 and name HN )) ((segid A and resid 73 and name HD# )) 4.53 2.73 0.00
assign ((segid A and resid 73 and name HN )) ((segid A and resid 74 and name HG# )) 5.81 4.01 0.00
assign ((segid A and resid 73 and name HA )) ((segid A and resid 73 and name HD# )) 3.48 1.68 0.00
assign ((segid A and resid 73 and name HA )) ((segid A and resid 74 and name HB# )) 5.34 3.54 0.00
assign ((segid A and resid 73 and name HB# )) ((segid A and resid 73 and name HD# )) 2.70 0.90 0.00
assign ((segid A and resid 73 and name HB# )) ((segid A and resid 74 and name HN )) 4.12 2.32 0.00
assign ((segid A and resid 73 and name HB# )) ((segid A and resid 74 and name HG# )) 5.10 3.30 0.00
assign ((segid A and resid 73 and name HD# )) ((segid A and resid 74 and name HN )) 4.67 2.87 0.00
assign ((segid A and resid 73 and name HD# )) ((segid A and resid 75 and name HN )) 5.80 4.00 0.00
assign ((segid A and resid 73 and name HD# )) ((segid A and resid 75 and name HB# )) 5.73 3.93 0.00
assign ((segid A and resid 74 and name HN )) ((segid A and resid 74 and name HB# )) 3.19 1.39 0.00
assign ((segid A and resid 74 and name HN )) ((segid A and resid 74 and name HG# )) 3.71 1.91 0.00
assign ((segid A and resid 74 and name HA )) ((segid A and resid 74 and name HG# )) 3.53 1.73 0.00
assign ((segid A and resid 74 and name HB# )) ((segid A and resid 75 and name HA )) 5.81 4.01 0.00
list of removed NOE constraints
21-> ILE A 56 HA - ILE A 56 HG2# 1.80 4.05 # NoRestrctn I [2.63 3.78] -- intra
22-> LEU A 46 HN - THR A 47 HA 1.80 5.53 # NoRestrctn S [2.00 3.99] -- sequential
29-> ASP A 25 HN - LYS A 26 HA 1.80 6.00 # NoRestrctn S [2.00 3.99] -- sequential
36-> ASP A 60 HN - GLU A 61 HA 1.80 5.50 # NoRestrctn S [2.00 3.99] -- sequential
127-> ALA A 62 HN - ALA A 62 HB# 1.80 4.09 # NoRestrctn I [2.66 3.68] -- intra
143-> ILE A 56 HN - ILE A 56 HG2# 1.80 6.00 # NoRestrctn I [2.04 4.91] -- intra
151-> ALA A 29 HN - ALA A 29 HB# 1.80 3.86 # NoRestrctn I [2.66 3.68] -- intra
161-> ILE A 18 HA - ILE A 18 HG2# 1.80 3.81 # NoRestrctn I [2.63 3.78] -- intra
162-> ILE A 18 HG2# - ILE A 18 HG1# 1.80 3.19 # Same atoms-diff bounds ( 156)
166-> ILE A 11 HA - ILE A 11 HG2# 1.80 4.13 # NoRestrctn I [2.63 3.78] -- intra
169-> ILE A 11 HA - ILE A 11 HD1# 1.80 6.00 # NoRestrctn I [2.11 5.99] -- intra
178-> ILE A 56 HA - ILE A 56 HD1# 1.80 6.00 # NoRestrctn I [2.11 5.99] -- intra
211-> LEU A 14 HN - LYS A 15 HA 1.80 5.96 # NoRestrctn S [2.00 3.99] -- sequential
246-> ASN A 49 HN - ALA A 50 HA 1.80 5.70 # NoRestrctn S [2.00 3.99] -- sequential
281-> VAL A 52 HN - LEU A 53 HA 1.80 6.00 # NoRestrctn S [2.00 3.99] -- sequential
317-> ALA A 50 HN - VAL A 51 HA 1.80 6.00 # NoRestrctn S [2.00 3.99] -- sequential
336-> ASN A 21 HN - GLN A 22 HA 1.80 4.48 # NoRestrctn S [2.00 3.99] -- sequential
352-> TYR A 63 HN - ASN A 64 HA 1.80 6.00 # NoRestrctn S [2.00 3.99] -- sequential
353-> GLU A 61 HN - ALA A 62 HA 1.80 6.00 # NoRestrctn S [2.00 3.99] -- sequential
436-> MET A 20 HN - ASN A 21 HA 1.80 6.00 # NoRestrctn S [2.00 3.99] -- sequential
442-> SER A 23 HN - GLU A 24 HA 1.80 5.60 # NoRestrctn S [2.00 3.99] -- sequential
461-> GLY A 69 HN - GLU A 70 HA 1.80 5.04 # NoRestrctn S [2.00 3.99] -- sequential
713-> GLN A 43 HA - GLN A 43 HB# 1.80 2.44 # FixedDistn I [0.00 0.00] -- intra
730-> LEU A 46 HB# - LEU A 46 HD# 1.80 2.44 # TooRestrct I [2.57 2.89] -- intra
748-> LYS A 48 HG# - LYS A 48 HE# 1.80 2.38 # TooRestrct I [2.52 3.73] -- intra
812-> LYS A 54 HD# - LYS A 54 HE# 1.80 2.05 # TooRestrct I [2.27 2.51] -- intra
857-> ARG A 68 HN - GLY A 69 HA# 1.80 4.33 # NoRestrctn S [2.00 3.55] -- sequential
871-> GLU A 70 HA - GLU A 70 HB# 1.80 2.60 # FixedDistn I [0.00 0.00] -- intra
====== TOTAL ======: 28
table of distance constraints violations
Residual Violations greater than 0.10
3-> VAL A 37 HG2* - THR A 40 HB [ 1.80 6.00] 0.00 0.00 0.00 0.00 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 - 1 [ 0.60 .. 0.60]
7-> VAL A 38 HA - LEU A 41 HG [ 1.80 4.15] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 1.57 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 - 3 [ 0.17 .. 1.57]
8-> ILE A 11 HA - LEU A 14 HD2* [ 1.80 4.20] 0.52 0.18 0.64 0.46 0.24 0.95 0.79 0.97 0.49 0.31 0.29 0.44 0.14 0.48 0.15 0.97 1.02 0.24 0.69 0.33 - 20 [ 0.14 .. 1.02]
12-> PRO A 8 HA - ILE A 11 HB [ 1.80 3.59] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 1.21 0.34 0.00 0.00 0.00 0.00 - 3 [ 0.34 .. 1.21]
13-> PRO A 8 HA - ILE A 11 HG2* [ 1.80 4.48] 0.00 0.21 0.00 0.00 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 [ 0.21 .. 0.81]
14-> PRO A 8 HA - ILE A 11 HD1* [ 1.80 4.62] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 1.18 0.38 0.70 0.80 0.00 0.00 0.00 0.00 - 5 [ 0.17 .. 1.18]
17-> VAL A 37 HA - LEU A 41 HG [ 1.80 6.00] 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 0.00 0.00 0.93 0.00 0.00 0.00 0.00 - 2 [ 0.76 .. 0.93]
24-> ILE A 27 HA - ILE A 27 HD1* [ 1.80 3.32] 0.85 0.50 0.86 0.00 0.00 0.84 0.00 0.00 0.51 0.84 0.00 0.49 0.00 0.85 0.00 0.00 0.00 0.51 0.85 0.85 - 11 [ 0.49 .. 0.86]
27-> HIS A 17 HA - ASP A 25 HN [ 1.80 6.00] 0.00 0.00 2.58 0.63 1.01 1.28 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.39 0.00 - 7 [ 0.39 .. 2.83]
28-> LYS A 15 HA - ILE A 18 HG1* [ 1.80 3.48] 0.39 1.23 0.00 0.00 0.94 0.03 0.00 1.79 0.13 0.00 0.18 0.65 0.00 0.79 0.32 1.71 0.08 1.11 0.00 0.37 - 14 [ 0.03 .. 1.79]
31-> ILE A 18 HG2* - LYS A 26 HA [ 1.80 3.55] 0.00 0.00 0.00 0.00 1.39 0.30 0.00 0.92 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.18 0.91 0.00 0.00 - 6 [ 0.05 .. 1.39]
32-> ILE A 18 HD1* - LYS A 26 HA [ 1.80 4.87] 0.00 0.00 0.00 0.00 0.61 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 - 3 [ 0.61 .. 1.76]
33-> LYS A 26 HA - ALA A 29 HB* [ 1.80 3.65] 0.00 0.06 0.00 0.61 0.46 0.99 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.04 0.04 0.00 0.00 0.57 0.00 0.00 - 8 [ 0.04 .. 0.99]
35-> MET A 30 HA - VAL A 66 HG2* [ 1.80 5.20] 0.46 0.00 0.55 0.42 0.35 1.92 0.57 1.53 0.79 0.00 0.00 0.00 0.00 0.00 0.39 0.00 1.67 0.00 0.14 0.52 - 12 [ 0.14 .. 1.92]
39-> ILE A 27 HD1* - LYS A 67 HA [ 1.80 4.10] 5.98 0.21 4.12 0.00 0.43 0.74 1.41 0.00 2.38 2.61 0.00 4.75 0.00 4.85 0.00 0.00 0.05 3.60 3.87 4.41 - 14 [ 0.05 .. 5.98]
41-> ILE A 11 HG2* - LEU A 14 HA [ 1.80 6.00] 0.17 0.00 0.25 0.00 0.00 0.52 0.40 0.26 0.00 0.00 0.00 0.00 0.73 0.00 0.78 0.00 0.49 0.00 0.17 0.00 - 9 [ 0.17 .. 0.78]
49-> LEU A 46 HA - LYS A 48 HN [ 1.80 3.66] 0.15 0.03 0.05 0.70 0.00 0.51 0.00 0.36 0.00 0.72 0.20 0.21 0.12 0.17 0.29 0.98 0.35 0.00 0.00 0.38 - 15 [ 0.03 .. 0.98]
51-> LEU A 46 HA - VAL A 52 HN [ 1.80 5.69] 0.00 0.00 0.00 1.20 0.00 1.38 0.00 1.10 0.00 1.11 0.59 0.00 0.38 0.00 0.63 1.76 0.02 0.00 0.00 0.14 - 10 [ 0.02 .. 1.76]
55-> LEU A 73 HA - LEU A 73 HG [ 1.80 3.51] 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 0.00 0.00 0.00 - 1 [ 0.14 .. 0.14]
57-> ASP A 25 HB2 - MET A 30 HN [ 1.80 5.83] 1.09 0.12 1.49 1.05 0.26 1.14 1.52 0.37 2.03 1.88 2.06 1.76 1.83 1.66 1.28 0.34 1.23 0.80 2.22 2.02 - 20 [ 0.12 .. 2.22]
65-> LEU A 53 HD1* - ILE A 56 HB [ 1.80 5.17] 0.44 0.36 0.00 0.43 0.00 0.28 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 1.02 - 7 [ 0.28 .. 1.02]
66-> VAL A 7 HG2* - GLU A 61 HG2 [ 1.80 6.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 1.25 0.00 0.00 0.00 0.00 - 2 [ 0.37 .. 1.25]
67-> HIS A 17 HN - GLU A 24 HG2 [ 1.80 6.00] 1.23 0.04 2.05 0.00 1.98 2.50 2.02 0.18 0.25 0.10 1.25 0.99 0.15 0.62 1.57 0.00 2.32 0.23 0.66 1.00 - 18 [ 0.04 .. 2.50]
69-> GLN A 16 HG3 - ASN A 21 HN [ 1.80 5.17] 2.12 1.70 6.42 6.12 2.25 5.40 2.94 1.25 5.25 5.65 1.70 2.19 5.60 1.55 2.77 1.65 5.13 2.72 4.90 2.45 - 20 [ 1.25 .. 6.42]
75-> ILE A 27 HD1* - LYS A 67 HB3 [ 1.80 6.00] 5.61 0.54 2.08 0.00 0.68 0.00 0.00 0.00 2.63 3.17 0.00 5.26 0.00 5.18 0.00 0.00 0.00 3.94 4.31 4.64 - 11 [ 0.54 .. 5.61]
76-> GLU A 24 HB3 - ASP A 25 HN [ 1.80 6.00] 0.00 0.00 0.00 0.00 0.13 0.06 0.00 0.00 0.00 0.00 0.05 0.13 0.00 0.05 0.14 0.05 0.00 0.00 0.00 0.10 - 8 [ 0.05 .. 0.14]
78-> HIS A 17 HN - GLU A 24 HB3 [ 1.80 6.00] 0.92 0.88 3.51 0.18 1.02 3.16 3.45 0.00 1.50 0.54 1.09 0.00 0.80 1.25 0.81 0.19 4.30 0.88 2.37 0.00 - 17 [ 0.18 .. 4.30]
80-> GLU A 70 HB2 - SER A 71 HN [ 1.80 4.13] 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 0.17 0.00 0.00 0.00 0.00 - 1 [ 0.17 .. 0.17]
81-> LYS A 67 HN - ARG A 68 HB3 [ 1.80 6.00] 0.20 0.37 0.06 0.00 0.30 0.00 0.00 0.43 0.00 0.00 0.39 0.21 0.17 0.29 0.00 0.00 0.57 0.26 0.00 0.32 - 12 [ 0.06 .. 0.57]
82-> GLN A 22 HB2 - SER A 23 HN [ 1.80 4.16] 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 0.29 0.00 0.00 0.31 0.28 0.00 - 3 [ 0.28 .. 0.31]
83-> LEU A 46 HG - LYS A 48 HN [ 1.80 6.00] 0.74 0.63 0.64 1.05 0.36 0.41 0.46 0.00 0.00 1.03 0.84 0.00 0.00 0.77 0.76 1.00 1.06 0.56 0.00 0.93 - 15 [ 0.36 .. 1.06]
85-> LEU A 73 HG - GLU A 74 HN [ 1.80 4.46] 0.02 0.70 0.00 0.05 0.45 0.37 0.00 0.00 0.60 0.12 0.15 0.71 0.20 0.27 0.09 0.50 0.37 0.57 0.00 0.50 - 16 [ 0.02 .. 0.71]
86-> LEU A 73 HN - LEU A 73 HG [ 1.80 4.49] 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.09 .. 0.36]
87-> LEU A 14 HD1* - ALA A 62 HN [ 1.80 6.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 1.67 0.00 0.00 0.00 0.00 - 2 [ 0.22 .. 1.67]
89-> MET A 30 HN - VAL A 66 HG2* [ 1.80 3.96] 2.66 1.14 3.16 2.45 2.57 4.26 3.00 4.02 2.44 0.21 0.21 0.29 0.00 1.13 1.59 0.57 4.46 1.34 1.38 2.07 - 19 [ 0.21 .. 4.46]
91-> ILE A 27 HD1* - LYS A 67 HG3 [ 1.80 4.93] 4.50 0.00 2.94 0.00 0.12 0.00 0.00 0.00 1.43 3.14 0.00 5.55 0.00 4.31 0.00 0.00 0.00 3.01 3.35 3.53 - 10 [ 0.12 .. 5.55]
97-> LEU A 53 HD2* - ILE A 56 HB [ 1.80 5.17] 0.00 0.00 0.70 0.00 0.00 0.00 0.02 0.00 0.00 0.12 0.00 0.50 0.00 0.04 0.00 0.00 0.08 0.13 0.00 0.00 - 7 [ 0.02 .. 0.70]
100-> LEU A 4 HD2* - PHE A 10 HD* [ 1.80 6.00] 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 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 [ 0.18 .. 0.18]
101-> LEU A 4 HD2* - TYR A 9 HE* [ 1.80 4.75] 1.80 0.00 0.00 0.24 0.00 0.00 2.92 0.00 0.00 1.09 0.00 0.00 2.77 0.00 3.36 2.47 1.46 0.42 0.00 1.63 - 10 [ 0.24 .. 3.36]
105-> LEU A 4 HD1* - PHE A 10 HD* [ 1.80 6.00] 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 - 3 [ 0.04 .. 0.71]
106-> LEU A 4 HD1* - TYR A 9 HE* [ 1.80 4.75] 3.15 0.00 0.00 0.00 0.00 0.00 2.06 0.00 1.04 2.94 0.17 0.00 4.34 0.00 2.89 4.06 3.02 2.18 0.02 3.39 - 13 [ 0.00 .. 4.34]
107-> LEU A 4 HD1* - TYR A 9 HD* [ 1.80 5.59] 0.82 0.00 0.00 0.00 0.00 0.19 0.00 0.07 0.93 0.66 0.00 0.00 2.13 0.12 0.31 1.89 0.77 0.00 0.14 1.08 - 12 [ 0.07 .. 2.13]
110-> LEU A 46 HN - THR A 47 HG2* [ 1.80 6.00] 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.01 0.00 0.01 0.31 0.00 0.00 0.02 - 7 [ 0.00 .. 0.31]
111-> THR A 47 HG2* - VAL A 52 HN [ 1.80 4.99] 1.32 0.34 0.79 0.89 1.68 1.00 1.70 0.43 1.93 0.72 1.49 0.00 0.42 1.09 0.69 0.87 2.05 2.15 1.86 0.64 - 19 [ 0.34 .. 2.15]
114-> THR A 47 HG2* - VAL A 51 HN [ 1.80 6.00] 0.00 0.00 0.84 0.00 1.13 0.00 1.21 0.00 1.31 0.00 1.10 0.00 0.00 0.17 0.00 0.00 0.58 0.47 1.17 0.00 - 9 [ 0.17 .. 1.31]
119-> PHE A 10 HZ - VAL A 37 HG1* [ 1.80 4.31] 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.08 0.00 - 3 [ 0.08 .. 0.96]
121-> PHE A 10 HE* - VAL A 37 HG2* [ 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 0.37 0.00 - 1 [ 0.37 .. 0.37]
123-> THR A 47 HN - VAL A 51 HG2* [ 1.80 4.92] 1.22 0.72 1.01 0.55 0.32 1.18 0.46 0.86 0.52 1.02 0.93 1.03 1.16 1.79 1.23 0.57 1.43 1.37 0.22 0.10 - 20 [ 0.10 .. 1.79]
124-> MET A 30 HA - VAL A 66 HG1* [ 1.80 5.20] 0.15 0.00 0.21 0.00 0.42 0.78 0.64 0.91 0.01 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.53 0.00 0.00 0.00 - 9 [ 0.01 .. 0.91]
125-> MET A 30 HN - VAL A 66 HG1* [ 1.80 3.88] 1.58 0.00 2.05 1.03 1.74 2.51 2.26 2.72 0.88 0.00 0.00 0.00 0.00 0.19 0.97 0.00 2.78 0.24 0.10 0.58 - 14 [ 0.10 .. 2.78]
129-> LEU A 14 HD1* - ALA A 62 HB* [ 1.80 3.91] 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 0.65 0.00 0.00 0.00 0.00 - 1 [ 0.65 .. 0.65]
132-> VAL A 7 HG1* - GLU A 61 HG3 [ 1.80 6.00] 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.01 .. 0.47]
133-> VAL A 7 HG1* - GLU A 61 HG2 [ 1.80 6.00] 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.01 0.00 0.00 0.00 0.00 - 3 [ 0.01 .. 0.48]
138-> LYS A 48 HE2 - ALA A 50 HB* [ 1.80 5.27] 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 0.00 0.00 0.00 0.79 0.00 0.00 0.00 - 2 [ 0.46 .. 0.79]
139-> LYS A 48 HE3 - ALA A 50 HB* [ 1.80 5.27] 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 - 2 [ 1.30 .. 1.53]
149-> ASP A 25 HN - ALA A 29 HB* [ 1.80 3.80] 0.02 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 - 5 [ 0.02 .. 0.21]
150-> GLU A 24 HB3 - ALA A 29 HB* [ 1.80 5.10] 0.00 0.00 0.00 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 0.00 0.00 0.31 0.00 - 2 [ 0.05 .. 0.31]
152-> LEU A 14 HA - ALA A 29 HB* [ 1.80 4.23] 0.00 0.00 0.79 0.00 0.81 1.11 0.77 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.88 0.38 0.00 0.00 - 8 [ 0.38 .. 1.11]
153-> ILE A 27 HG2* - ALA A 29 HB* [ 1.80 5.40] 0.28 0.00 0.28 0.00 0.00 0.00 0.08 0.20 0.00 0.03 0.00 0.03 0.00 0.01 0.00 0.00 0.24 0.00 0.01 0.02 - 10 [ 0.01 .. 0.28]
155-> LYS A 26 HN - ILE A 27 HG2* [ 1.80 6.00] 0.00 0.00 0.00 0.32 0.00 0.00 0.10 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 - 3 [ 0.03 .. 0.32]
157-> LYS A 15 HN - ILE A 18 HG2* [ 1.80 5.06] 0.74 1.24 0.99 1.08 0.65 1.33 0.99 2.37 0.65 0.95 0.47 0.79 1.20 1.39 0.65 1.87 1.44 1.17 0.78 0.63 - 20 [ 0.47 .. 2.37]
160-> LYS A 15 HA - ILE A 18 HG2* [ 1.80 5.28] 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 0.21 0.00 0.00 0.00 0.00 - 2 [ 0.01 .. 0.21]
163-> ILE A 18 HG2* - ALA A 29 HB* [ 1.80 3.62] 0.62 0.12 0.27 0.06 1.31 1.09 0.37 3.21 0.29 0.37 0.78 0.28 0.21 0.09 1.55 0.86 2.22 0.00 0.16 0.50 - 19 [ 0.06 .. 3.21]
165-> ILE A 11 HG2* - ALA A 62 HA [ 1.80 4.50] 0.40 1.19 0.07 0.26 0.50 0.21 0.00 0.00 0.38 1.77 1.34 0.89 1.11 0.71 0.00 0.85 0.23 0.74 0.00 0.07 - 16 [ 0.07 .. 1.77]
167-> ILE A 11 HG2* - ALA A 62 HB* [ 1.80 3.41] 0.86 1.31 0.59 0.79 0.85 0.71 0.56 0.33 0.83 1.67 1.69 1.05 1.04 1.20 0.00 1.20 0.70 0.93 0.35 0.61 - 19 [ 0.33 .. 1.69]
170-> ILE A 11 HB - ILE A 11 HD1* [ 1.80 2.98] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.25 0.00 0.25 0.00 0.25 0.00 0.00 0.00 0.00 - 4 [ 0.25 .. 0.25]
171-> ILE A 11 HD1* - ALA A 62 HB* [ 1.80 3.56] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.54 .. 0.54]
174-> ILE A 18 HD1* - ALA A 29 HB* [ 1.80 4.55] 0.00 0.00 0.00 0.00 0.00 0.58 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 - 3 [ 0.58 .. 1.28]
175-> LYS A 15 HA - ILE A 18 HD1* [ 1.80 3.94] 0.00 0.35 0.00 0.00 0.08 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.22 0.00 0.00 - 5 [ 0.08 .. 1.23]
179-> VAL A 42 HB - ILE A 56 HD1* [ 1.80 5.86] 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 0.53 - 2 [ 0.11 .. 0.53]
181-> ILE A 27 HD1* - LYS A 67 HN [ 1.80 6.00] 5.71 0.61 3.71 0.00 0.19 0.92 0.35 0.00 2.72 2.73 0.00 4.55 0.00 4.69 0.00 0.00 0.11 3.58 3.97 4.46 - 14 [ 0.11 .. 5.71]
182-> ILE A 27 HD1* - SER A 71 HN [ 1.80 4.98] 5.86 0.00 4.15 0.00 0.26 0.00 3.24 3.17 0.00 0.86 0.00 0.25 0.36 2.93 0.00 1.66 0.25 1.09 0.00 4.25 - 13 [ 0.25 .. 5.86]
184-> ILE A 27 HD1* - TYR A 63 HE* [ 1.80 6.00] 1.93 1.02 1.21 0.00 0.00 0.00 0.00 0.00 1.54 2.84 0.00 4.64 0.00 2.46 0.00 0.00 0.00 2.93 2.55 2.50 - 10 [ 1.02 .. 4.64]
186-> ASN A 21 HA - GLU A 24 HB2 [ 1.80 6.00] 0.21 0.00 0.00 0.00 1.59 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 - 4 [ 0.00 .. 1.59]
187-> VAL A 7 HG2* - GLU A 61 HG3 [ 1.80 6.00] 0.00 0.00 0.00 0.00 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]
189-> LEU A 14 HD2* - ALA A 62 HB* [ 1.80 3.91] 1.13 0.83 0.67 0.56 0.83 0.39 0.42 0.47 1.18 0.21 0.23 0.45 0.27 0.42 1.63 2.76 0.99 0.11 0.34 0.64 - 20 [ 0.11 .. 2.76]
191-> THR A 47 HG2* - VAL A 51 HG2* [ 1.80 2.79] 1.28 0.22 2.37 0.28 2.38 1.58 2.47 0.00 2.60 0.71 2.32 0.00 0.35 2.09 0.53 0.13 2.42 2.02 2.25 0.00 - 17 [ 0.13 .. 2.60]
192-> THR A 47 HG2* - VAL A 51 HG1* [ 1.80 2.79] 1.55 0.07 1.32 0.86 1.77 2.08 1.97 0.16 2.22 0.93 1.63 0.00 0.43 2.16 0.81 0.54 3.14 2.97 1.84 0.49 - 19 [ 0.07 .. 3.14]
194-> ALA A 29 HB* - VAL A 66 HB [ 1.80 5.61] 1.00 0.65 2.43 0.77 1.95 2.91 2.53 2.83 0.73 0.00 0.00 0.00 0.00 0.00 0.89 1.13 3.08 1.17 0.00 0.28 - 14 [ 0.28 .. 3.08]
195-> GLN A 16 HA - MET A 20 HE* [ 1.80 4.71] 0.10 0.00 2.38 2.15 0.90 1.45 2.31 0.00 0.00 1.56 0.00 0.27 1.65 0.91 0.00 0.00 0.00 0.12 3.63 0.61 - 13 [ 0.10 .. 3.63]
196-> GLU A 19 HN - MET A 20 HE* [ 1.80 5.85] 0.93 1.00 0.99 0.93 1.09 1.11 1.00 0.39 0.30 0.90 0.71 0.98 0.90 1.05 0.00 0.48 0.00 1.23 1.40 1.12 - 18 [ 0.30 .. 1.40]
197-> HIS A 17 HN - MET A 20 HE* [ 1.80 6.00] 1.26 1.44 0.70 0.25 1.57 0.94 0.46 0.00 0.00 0.27 0.12 1.44 0.37 1.77 0.00 0.47 0.00 1.22 3.43 1.55 - 16 [ 0.12 .. 3.43]
203-> THR A 47 HA - LYS A 48 HN [ 1.80 3.28] 0.27 0.26 0.24 0.26 0.16 0.19 0.19 0.29 0.15 0.27 0.24 0.28 0.28 0.26 0.27 0.28 0.29 0.26 0.16 0.26 - 20 [ 0.15 .. 0.29]
210-> GLN A 45 HN - LEU A 46 HG [ 1.80 6.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.60 0.00 0.00 0.68 2.37 0.00 0.00 0.00 0.00 0.00 0.55 0.00 - 5 [ 0.55 .. 2.37]
220-> ASP A 25 HB2 - ALA A 29 HN [ 1.80 4.46] 0.00 0.00 0.43 0.00 0.00 0.06 0.39 0.00 0.69 0.56 0.83 0.80 0.68 0.57 0.07 0.00 0.25 0.00 1.02 0.59 - 13 [ 0.06 .. 1.02]
223-> ILE A 27 HB - ALA A 29 HN [ 1.80 6.00] 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 0.00 0.00 - 1 [ 0.11 .. 0.11]
227-> ILE A 56 HD1* - LEU A 59 HN [ 1.80 6.00] 0.27 0.28 0.52 0.28 0.54 0.41 0.47 0.37 0.29 0.41 0.30 0.07 0.44 0.43 0.23 0.17 0.32 0.27 0.51 0.27 - 20 [ 0.07 .. 0.54]
229-> SER A 71 HA - LYS A 72 HN [ 1.80 3.07] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 - 2 [ 0.04 .. 0.45]
230-> LYS A 72 HN - GLU A 74 HG3 [ 1.80 6.00] 0.00 0.00 0.22 0.00 0.00 2.13 1.36 1.86 0.00 0.88 0.11 0.00 0.00 0.90 0.28 0.74 2.74 2.49 0.00 0.28 - 12 [ 0.11 .. 2.74]
231-> LYS A 72 HN - GLU A 74 HG2 [ 1.80 6.00] 0.00 1.01 1.75 0.54 0.09 1.64 1.74 3.29 0.11 2.30 0.52 0.00 0.00 1.56 1.00 0.00 1.12 0.74 1.04 0.00 - 15 [ 0.09 .. 3.29]
233-> ILE A 11 HN - ALA A 62 HA [ 1.80 5.83] 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.42 0.04 0.00 0.00 0.07 0.00 0.00 0.00 0.00 - 5 [ 0.04 .. 0.54]
235-> ILE A 11 HN - ILE A 11 HD1* [ 1.80 4.03] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.34 .. 0.34]
238-> ASP A 25 HN - HIS A 28 HN [ 1.80 6.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.00 0.00 - 2 [ 0.21 .. 0.69]
240-> GLU A 24 HB2 - ASP A 25 HN [ 1.80 3.75] 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 0.00 0.00 0.00 0.12 0.00 0.00 0.00 - 1 [ 0.12 .. 0.12]
244-> MET A 30 HA - TYR A 33 HN [ 1.80 4.44] 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 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
262-> TYR A 33 HN - VAL A 37 HN [ 1.80 6.00] 0.13 0.35 0.00 0.22 0.15 0.07 0.20 0.08 0.06 0.25 0.10 0.16 0.36 0.09 0.00 0.00 0.16 0.00 0.00 0.06 - 15 [ 0.06 .. 0.36]
266-> GLU A 24 HN - GLU A 24 HB2 [ 1.80 3.59] 0.00 0.00 0.36 0.00 0.00 0.00 0.33 0.00 0.34 0.36 0.00 0.00 0.35 0.00 0.00 0.00 0.25 0.00 0.45 0.00 - 7 [ 0.25 .. 0.45]
268-> LEU A 73 HA - GLU A 74 HN [ 1.80 3.22] 0.29 0.00 0.33 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.08 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.00 .. 0.33]
278-> VAL A 66 HN - LYS A 67 HG3 [ 1.80 4.66] 2.28 2.29 0.00 2.23 2.30 2.35 0.15 2.26 2.27 2.11 2.31 2.11 0.00 2.34 0.00 2.32 2.23 2.43 2.27 2.33 - 17 [ 0.15 .. 2.43]
283-> LEU A 46 HN - THR A 47 HB [ 1.80 5.29] 0.11 0.04 1.20 0.00 0.98 0.00 1.28 0.00 1.51 0.00 1.04 0.40 0.27 0.00 0.00 0.00 0.70 0.00 1.04 0.00 - 11 [ 0.04 .. 1.51]
285-> ILE A 18 HN - ASP A 25 HN [ 1.80 6.00] 0.89 0.00 2.51 0.42 1.22 2.12 2.83 1.83 1.32 0.13 0.17 0.50 0.17 0.21 0.64 0.00 2.55 0.60 1.14 0.38 - 18 [ 0.13 .. 2.83]
292-> TYR A 33 HE* - VAL A 38 HN [ 1.80 6.00] 1.17 0.95 0.57 0.82 0.93 0.79 0.73 0.79 1.07 0.85 0.95 1.16 0.94 1.06 1.51 0.91 1.00 0.63 0.33 0.83 - 20 [ 0.33 .. 1.51]
293-> TYR A 33 HD* - VAL A 38 HN [ 1.80 6.00] 0.75 0.59 0.31 0.51 0.54 0.49 0.43 0.48 0.63 0.65 0.46 0.75 0.64 0.63 0.62 0.56 0.59 0.24 0.00 0.49 - 19 [ 0.24 .. 0.75]
300-> LYS A 67 HA - GLU A 70 HN [ 1.80 4.29] 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 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.24 .. 0.24]
301-> ILE A 27 HD1* - GLU A 70 HN [ 1.80 5.25] 7.11 0.00 5.24 0.00 0.94 0.48 2.63 1.53 0.79 0.44 0.00 1.84 0.00 4.90 0.00 0.00 0.91 3.11 2.98 4.10 - 14 [ 0.44 .. 7.11]
302-> VAL A 38 HN - THR A 40 HB [ 1.80 6.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 - 1 [ 1.52 .. 1.52]
303-> ILE A 18 HN - ALA A 29 HB* [ 1.80 4.93] 0.00 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 0.10 0.04 0.00 0.00 0.00 - 3 [ 0.04 .. 0.75]
316-> ILE A 56 HD1* - GLN A 57 HN [ 1.80 4.52] 0.07 0.05 0.06 0.19 0.16 0.10 0.07 0.21 0.23 0.09 0.10 0.29 0.09 0.18 0.14 0.18 0.09 0.16 0.07 0.07 - 20 [ 0.05 .. 0.29]
318-> MET A 30 HA - TYR A 34 HN [ 1.80 3.89] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 - 2 [ 0.09 .. 0.13]
319-> LEU A 46 HN - THR A 47 HN [ 1.80 3.23] 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.12 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.59 0.00 0.00 0.00 - 4 [ 0.04 .. 0.59]
323-> THR A 47 HN - VAL A 51 HG1* [ 1.80 4.92] 0.29 0.00 0.00 0.00 0.00 1.36 0.00 0.22 0.00 0.26 0.14 0.00 0.26 0.79 0.39 0.00 1.08 1.27 0.00 0.00 - 10 [ 0.14 .. 1.36]
327-> THR A 47 HG2* - ALA A 50 HN [ 1.80 6.00] 0.96 0.38 2.17 0.47 2.35 0.47 2.36 0.24 2.37 0.70 2.28 0.23 0.55 0.89 0.51 0.57 0.81 0.83 2.38 0.30 - 20 [ 0.23 .. 2.38]
328-> GLU A 74 HA - HIS A 75 HN [ 1.80 3.37] 0.00 0.20 0.00 0.10 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.16 0.14 0.00 0.14 0.19 0.07 0.00 0.00 0.00 - 8 [ 0.07 .. 0.20]
333-> VAL A 42 HB - ASP A 44 HN [ 1.80 5.64] 0.71 0.63 0.66 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.27 - 7 [ 0.11 .. 0.71]
334-> ASP A 25 HB2 - HIS A 28 HN [ 1.80 3.71] 0.00 0.06 0.00 0.00 0.39 0.23 0.00 1.79 0.07 0.00 0.04 0.00 0.09 0.00 0.00 1.16 0.00 0.00 0.03 0.00 - 9 [ 0.03 .. 1.79]
336-> ASN A 21 HN - GLN A 22 HA [ 1.80 4.48] 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.82 0.04 0.04 0.45 0.00 0.05 0.40 0.05 0.67 0.00 0.11 0.12 0.00 - 11 [ 0.04 .. 0.82]
337-> GLN A 16 HG2 - ASN A 21 HN [ 1.80 5.17] 1.36 0.73 5.96 5.69 1.87 4.76 4.45 0.72 4.67 5.13 1.67 1.38 5.00 1.25 2.11 1.26 4.29 1.96 4.44 1.80 - 20 [ 0.72 .. 5.96]
347-> ILE A 11 HD1* - TYR A 63 HN [ 1.80 5.65] 0.00 0.46 0.15 0.11 0.00 0.69 0.21 0.53 0.00 0.23 1.23 0.00 0.00 0.00 0.00 0.00 0.38 0.61 0.19 0.00 - 11 [ 0.11 .. 1.23]
348-> LEU A 59 HG - TYR A 63 HN [ 1.80 6.00] 0.77 0.00 0.00 0.00 0.69 0.00 0.48 0.55 0.00 0.00 0.59 0.00 0.00 0.59 0.00 0.00 0.00 0.56 0.00 0.45 - 8 [ 0.45 .. 0.77]
354-> GLN A 22 HN - GLU A 24 HN [ 1.80 4.71] 0.00 0.00 0.00 0.00 0.19 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 - 2 [ 0.11 .. 0.19]
356-> GLN A 16 HA - GLN A 22 HN [ 1.80 6.00] 0.00 0.00 4.38 3.86 0.41 3.64 4.30 0.00 2.53 3.52 0.00 0.00 3.59 0.00 0.00 0.27 3.65 0.00 2.03 0.00 - 11 [ 0.27 .. 4.38]
359-> ILE A 11 HD1* - GLU A 61 HN [ 1.80 5.89] 1.03 1.44 1.05 1.06 1.03 1.32 1.01 1.09 0.92 1.61 2.03 0.72 1.96 0.96 1.41 1.17 1.32 1.23 0.48 0.54 - 20 [ 0.48 .. 2.03]
361-> VAL A 7 HA - TYR A 9 HN [ 1.80 3.73] 0.19 0.74 0.50 0.50 0.61 0.42 0.18 0.50 0.60 0.15 0.46 0.59 0.05 0.45 0.29 0.15 0.08 0.21 0.35 0.19 - 20 [ 0.05 .. 0.74]
362-> VAL A 7 HB - TYR A 9 HN [ 1.80 4.79] 0.16 0.55 0.04 0.32 0.28 0.21 0.19 0.31 0.09 0.20 0.20 0.42 0.07 0.28 0.28 0.13 0.07 0.20 0.17 0.12 - 20 [ 0.04 .. 0.55]
363-> MET A 30 HN - TYR A 33 HD* [ 1.80 6.00] 0.40 0.29 0.84 0.51 0.78 0.59 0.72 0.50 0.34 0.00 0.09 0.18 0.28 0.47 0.09 0.03 0.64 0.71 0.51 0.11 - 19 [ 0.03 .. 0.84]
371-> ILE A 18 HG2* - MET A 30 HN [ 1.80 5.68] 0.37 0.00 0.00 0.61 0.75 0.19 0.09 1.77 0.52 1.24 1.35 0.78 1.15 0.86 1.65 0.12 1.39 0.00 0.87 0.64 - 17 [ 0.09 .. 1.77]
375-> MET A 30 HN - VAL A 66 HB [ 1.80 4.48] 2.65 1.05 3.21 2.06 2.68 3.62 3.53 3.66 2.30 0.45 0.43 0.20 0.24 1.52 2.22 1.26 4.11 1.65 1.31 1.81 - 20 [ 0.20 .. 4.11]
376-> HIS A 58 HN - LEU A 59 HB2 [ 1.80 4.80] 0.00 0.09 0.15 0.08 0.00 0.33 0.00 0.00 0.14 0.16 0.00 0.00 0.27 0.00 0.00 0.00 0.29 0.00 0.46 0.00 - 9 [ 0.08 .. 0.46]
377-> ILE A 27 HG2* - MET A 30 HN [ 1.80 6.00] 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 0.30 0.00 0.00 0.00 0.00 0.20 0.07 - 4 [ 0.07 .. 0.30]
378-> ILE A 56 HD1* - HIS A 58 HN [ 1.80 6.00] 0.34 0.36 0.51 0.51 0.35 0.51 0.36 0.36 0.56 0.52 0.37 0.52 0.47 0.33 0.47 0.39 0.34 0.39 0.44 0.35 - 20 [ 0.33 .. 0.56]
379-> PRO A 8 HA - GLU A 12 HN [ 1.80 4.13] 0.00 0.08 0.00 0.00 0.13 0.00 0.41 0.00 0.00 0.00 0.02 0.00 0.44 0.00 0.67 0.40 0.00 0.00 0.00 0.00 - 7 [ 0.02 .. 0.67]
380-> ILE A 11 HB - GLU A 12 HN [ 1.80 3.02] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.97 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.97 .. 0.98]
383-> GLN A 43 HN - ASP A 44 HN [ 1.80 3.37] 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 0.01 0.00 0.19 0.00 - 2 [ 0.01 .. 0.19]
384-> LEU A 41 HA - GLN A 43 HN [ 1.80 4.56] 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 0.00 0.38 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.05 .. 0.38]
385-> VAL A 42 HB - GLN A 43 HN [ 1.80 4.21] 0.20 0.19 0.18 0.00 0.00 0.00 0.00 0.00 0.01 0.06 0.12 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.02 - 8 [ 0.01 .. 0.20]
389-> MET A 30 HE* - ASN A 31 HN [ 1.80 5.73] 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 0.00 0.00 0.00 0.00 - 1 [ 0.24 .. 0.24]
392-> ILE A 27 HG2* - ASN A 31 HN [ 1.80 5.86] 0.45 0.00 0.66 0.00 0.00 0.75 0.00 0.00 0.00 1.08 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 1.10 0.82 - 7 [ 0.45 .. 1.10]
401-> ASN A 64 HN - ARG A 68 HN [ 1.80 6.00] 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.07 0.00 0.14 0.09 0.00 0.00 0.00 0.00 - 5 [ 0.07 .. 0.16]
402-> TYR A 63 HE* - ASN A 64 HN [ 1.80 4.38] 0.97 1.19 1.13 1.22 1.33 0.99 1.13 0.99 1.22 1.32 1.19 1.08 1.94 1.10 1.15 1.30 1.11 1.07 1.03 1.28 - 20 [ 0.97 .. 1.94]
403-> ILE A 11 HD1* - ASN A 64 HN [ 1.80 6.00] 0.00 0.90 0.21 0.15 0.00 1.14 0.23 1.03 0.00 0.73 1.34 0.17 0.00 0.00 0.00 0.00 0.85 1.04 0.41 0.01 - 13 [ 0.01 .. 1.34]
413-> LYS A 15 HN - ILE A 18 HD1* [ 1.80 4.40] 0.00 0.47 0.00 0.00 0.20 0.00 0.00 2.34 0.00 0.00 0.00 0.01 0.00 0.05 0.00 0.94 0.17 0.30 0.00 0.00 - 8 [ 0.01 .. 2.34]
416-> HIS A 17 HN - GLU A 19 HN [ 1.80 4.01] 0.00 0.22 0.00 0.00 0.00 0.07 0.00 0.16 0.00 0.03 0.00 0.00 0.00 0.13 0.00 0.15 0.02 0.00 0.00 0.03 - 9 [ 0.00 .. 0.22]
421-> GLU A 70 HB3 - SER A 71 HN [ 1.80 4.13] 0.00 0.00 0.00 0.01 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.11 0.15 0.00 0.00 0.11 0.00 - 6 [ 0.01 .. 0.15]
424-> ILE A 27 HD1* - ARG A 68 HN [ 1.80 6.00] 6.95 0.70 4.89 0.00 1.48 0.95 1.94 0.08 3.01 3.03 0.00 4.58 0.00 5.81 0.00 0.00 0.81 4.57 4.66 5.39 - 15 [ 0.08 .. 6.95]
428-> ASN A 64 HA - ARG A 68 HN [ 1.80 4.04] 0.00 0.00 0.38 0.00 0.03 0.00 0.17 0.00 0.07 0.00 0.00 0.00 0.31 0.00 0.33 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.03 .. 0.38]
430-> LYS A 67 HG3 - ARG A 68 HN [ 1.80 4.52] 0.13 0.14 0.00 0.27 0.11 0.21 0.04 0.09 0.34 0.00 0.06 0.00 0.00 0.23 0.06 0.10 0.00 0.17 0.24 0.11 - 15 [ 0.04 .. 0.34]
432-> ARG A 68 HN - GLU A 70 HG3 [ 1.80 6.00] 1.26 1.48 0.96 0.67 2.19 1.54 0.22 1.95 0.52 2.14 1.92 0.82 1.35 1.56 1.19 1.56 1.69 0.97 1.63 0.86 - 20 [ 0.22 .. 2.19]
433-> ARG A 68 HN - GLU A 70 HG2 [ 1.80 6.00] 0.00 0.35 0.05 0.00 1.80 0.65 0.00 1.96 0.00 1.73 2.37 1.82 2.04 0.51 0.01 1.55 2.04 0.00 0.48 0.00 - 14 [ 0.01 .. 2.37]
434-> GLN A 16 HN - MET A 20 HN [ 1.80 6.00] 0.00 0.00 0.35 0.19 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.82 0.00 - 5 [ 0.01 .. 0.82]
441-> SER A 23 HN - GLU A 24 HB2 [ 1.80 4.22] 0.00 0.00 0.80 0.00 0.00 0.00 0.83 0.00 0.97 0.95 0.00 0.00 1.00 0.00 0.73 0.00 0.87 0.68 2.28 0.00 - 9 [ 0.68 .. 2.28]
444-> LEU A 4 HN - SER A 6 HN [ 1.80 6.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.10 .. 0.28]
450-> SER A 39 HN - THR A 40 HB [ 1.80 6.00] 0.00 0.00 0.00 0.00 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 - 1 [ 0.21 .. 0.21]
452-> SER A 39 HN - VAL A 42 HB [ 1.80 5.60] 1.92 1.62 1.83 0.00 1.70 0.00 0.00 1.98 2.11 2.00 2.05 2.15 0.00 0.00 0.00 1.39 1.76 1.89 0.32 2.18 - 14 [ 0.32 .. 2.18]
456-> ARG A 68 HB3 - GLY A 69 HN [ 1.80 3.52] 0.11 0.33 0.06 0.00 0.27 0.00 0.00 0.32 0.00 0.00 0.32 0.17 0.22 0.18 0.00 0.00 0.27 0.14 0.00 0.11 - 12 [ 0.06 .. 0.33]
457-> LYS A 67 HG3 - GLY A 69 HN [ 1.80 6.00] 0.25 0.26 0.28 0.00 0.06 0.03 0.07 0.22 0.00 0.00 0.23 0.00 0.02 0.50 0.54 0.11 0.63 0.19 0.35 0.28 - 16 [ 0.02 .. 0.63]
458-> ILE A 18 HD1* - GLY A 69 HN [ 1.80 6.00] 1.48 0.59 1.03 0.19 1.16 0.00 0.97 0.00 0.27 2.02 0.40 0.56 0.00 0.00 0.26 0.00 0.00 0.44 0.14 0.42 - 14 [ 0.14 .. 2.02]
459-> ILE A 27 HD1* - GLY A 69 HN [ 1.80 6.00] 7.59 0.66 5.81 0.00 1.48 1.47 2.67 1.21 1.77 1.79 0.00 3.05 0.00 6.01 0.46 0.00 1.51 4.32 4.24 5.37 - 16 [ 0.46 .. 7.59]
461-> GLY A 69 HN - GLU A 70 HA [ 1.80 5.04] 0.00 0.25 0.11 0.00 0.27 0.24 0.05 0.14 0.00 0.21 0.25 0.00 0.11 0.26 0.15 0.12 0.34 0.18 0.13 0.22 - 16 [ 0.05 .. 0.34]
463-> TYR A 63 HD* - ASN A 64 HN [ 1.80 4.23] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.19 .. 0.19]
465-> PHE A 10 HZ - VAL A 37 HG2* [ 1.80 4.31] 0.00 0.00 1.25 0.56 0.07 0.14 0.00 0.00 0.40 1.09 0.45 0.00 0.52 0.00 0.00 0.30 0.06 1.78 2.23 1.08 - 13 [ 0.06 .. 2.23]
467-> TYR A 34 HD* - TYR A 63 HA [ 1.80 4.43] 0.99 0.00 0.08 0.32 1.21 0.00 0.99 0.66 0.00 0.00 0.24 0.00 1.10 0.00 0.00 0.02 0.60 0.01 0.00 0.02 - 12 [ 0.01 .. 1.21]
470-> TYR A 9 HD* - PHE A 10 HE* [ 1.80 4.69] 4.22 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.78 0.00 0.00 0.80 0.00 4.46 1.13 0.69 0.24 0.00 0.68 - 9 [ 0.24 .. 4.46]
471-> LEU A 4 HA - TYR A 9 HD* [ 1.80 5.06] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 3.08 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.25 .. 3.08]
472-> LEU A 4 HD2* - TYR A 9 HD* [ 1.80 5.59] 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.79 0.05 0.00 0.00 0.00 0.00 - 4 [ 0.05 .. 0.91]
473-> LEU A 4 HN - TYR A 9 HD* [ 1.80 5.00] 0.00 0.57 1.07 0.25 0.00 0.00 0.00 0.63 0.53 0.23 0.00 0.43 1.24 0.00 4.96 0.00 0.00 0.00 0.74 0.02 - 11 [ 0.02 .. 4.96]
474-> TYR A 9 HD* - PHE A 10 HZ [ 1.80 6.00] 4.96 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 1.26 0.00 0.00 0.48 0.00 5.17 1.16 0.15 0.23 0.00 0.89 - 9 [ 0.15 .. 5.17]
477-> TYR A 33 HD* - ALA A 62 HB* [ 1.80 6.00] 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 0.24 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.12 .. 0.24]
479-> TYR A 9 HE* - PHE A 10 HD* [ 1.80 5.15] 3.82 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 1.82 0.00 0.00 2.02 0.00 3.98 2.25 2.18 1.83 0.00 1.89 - 9 [ 1.82 .. 3.98]
481-> PHE A 10 HD* - VAL A 37 HB [ 1.80 6.00] 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 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.40 .. 0.40]
483-> LEU A 4 HN - TYR A 9 HE* [ 1.80 5.26] 0.00 0.17 1.01 0.00 0.00 0.00 0.00 0.55 0.57 0.85 0.00 0.00 2.19 0.00 6.33 1.13 0.00 0.00 0.58 0.92 - 10 [ 0.17 .. 6.33]
484-> TYR A 9 HE* - PHE A 10 HE* [ 1.80 4.70] 6.14 0.00 0.00 0.00 0.00 0.00 3.44 0.00 0.00 2.60 0.00 0.00 2.47 0.00 6.32 2.94 2.42 2.12 0.00 2.45 - 9 [ 2.12 .. 6.32]
485-> LEU A 4 HA - TYR A 9 HE* [ 1.80 4.82] 1.21 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.55 0.00 0.00 2.16 0.00 5.08 1.86 1.35 0.00 0.00 1.09 - 8 [ 0.55 .. 5.08]
486-> TYR A 33 HE* - LEU A 59 HG [ 1.80 4.78] 3.23 1.26 0.33 0.59 0.69 0.62 0.56 0.63 0.71 0.46 0.10 0.75 1.35 0.75 3.09 1.10 1.06 0.00 0.36 0.00 - 18 [ 0.10 .. 3.23]
488-> TYR A 33 HE* - TYR A 34 HN [ 1.80 5.84] 0.17 0.28 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.39 0.00 0.04 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.03 .. 0.39]
489-> TYR A 63 HN - TYR A 63 HE* [ 1.80 6.00] 0.22 0.23 0.22 0.21 0.22 0.24 0.23 0.24 0.23 0.24 0.23 0.24 0.20 0.23 0.24 0.23 0.24 0.23 0.24 0.23 - 20 [ 0.20 .. 0.24]
491-> TYR A 63 HE* - LYS A 67 HG3 [ 1.80 3.95] 0.77 0.32 0.79 0.46 0.97 0.95 0.44 1.21 0.61 0.61 0.61 0.86 0.00 0.79 0.71 0.97 0.00 1.65 0.50 1.22 - 18 [ 0.32 .. 1.65]
496-> GLU A 3 HA - LEU A 4 HB* [ 1.80 4.47] 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.48 0.07 0.00 0.09 0.31 0.00 0.00 0.00 0.19 0.00 0.00 0.00 - 6 [ 0.07 .. 0.48]
498-> GLU A 3 HG* - LEU A 4 HD* [ 1.80 5.79] 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 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.61 .. 0.61]
503-> LEU A 4 HD* - TYR A 9 HE* [ 1.80 4.06] 2.19 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 1.61 0.00 0.00 3.12 0.00 2.93 2.85 1.91 0.98 0.00 2.10 - 9 [ 0.98 .. 3.12]
504-> LEU A 4 HD* - TYR A 9 HD* [ 1.80 4.37] 0.28 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 1.35 0.00 1.07 1.11 0.00 0.00 0.00 0.16 - 6 [ 0.16 .. 1.35]
509-> VAL A 7 HG* - GLU A 61 HG* [ 1.80 3.63] 0.11 0.43 0.18 0.00 0.03 0.25 0.07 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.43 1.07 0.00 0.00 0.00 0.00 - 9 [ 0.03 .. 1.07]
513-> PRO A 8 HB* - ILE A 11 HG2* [ 1.80 5.14] 0.00 0.71 0.00 0.00 0.19 0.00 0.10 0.00 0.00 0.00 0.00 0.20 0.00 0.09 0.00 0.50 0.09 0.00 0.00 0.00 - 7 [ 0.09 .. 0.71]
520-> PHE A 10 HD* - VAL A 37 HG* [ 1.80 3.82] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.38 .. 0.38]
521-> PHE A 10 HZ - VAL A 37 HG* [ 1.80 3.15] 0.79 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.14 0.54 0.26 0.00 0.00 0.00 0.86 0.00 0.00 0.90 1.17 0.59 - 9 [ 0.14 .. 1.17]
523-> ILE A 11 HN - GLU A 61 HG* [ 1.80 5.81] 3.72 4.25 3.40 3.37 3.74 3.36 3.32 2.61 3.67 4.04 3.34 3.63 4.16 2.91 3.48 4.45 1.80 3.00 2.30 2.81 - 20 [ 1.80 .. 4.45]
524-> ILE A 11 HB - GLU A 61 HG* [ 1.80 5.81] 4.28 4.65 4.06 4.01 4.33 4.13 3.94 3.35 4.24 5.22 4.24 4.29 3.55 3.67 2.57 4.71 1.88 3.69 2.95 3.27 - 20 [ 1.88 .. 5.22]
525-> ILE A 11 HG2* - GLU A 12 HG* [ 1.80 4.76] 0.00 0.41 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.07 0.00 0.01 0.00 0.00 0.00 - 5 [ 0.01 .. 0.57]
526-> ILE A 11 HG2* - LEU A 14 HD* [ 1.80 3.52] 0.07 0.04 0.26 0.15 0.00 0.74 0.37 0.90 0.05 0.00 0.09 0.00 0.74 0.44 0.78 0.68 0.89 0.00 0.21 0.00 - 15 [ 0.04 .. 0.90]
527-> ILE A 11 HG1* - ASN A 13 HN [ 1.80 5.81] 0.00 0.00 0.00 0.00 0.00 0.02 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 - 2 [ 0.02 .. 0.23]
528-> ILE A 11 HG1* - GLU A 61 HG* [ 1.80 4.17] 3.28 3.82 2.90 3.01 3.41 2.92 2.68 2.30 3.31 4.09 3.43 3.18 5.57 2.85 4.83 3.65 0.91 2.93 2.13 2.66 - 20 [ 0.91 .. 5.57]
529-> ILE A 11 HG1* - ALA A 62 HN [ 1.80 3.89] 0.85 1.51 0.52 0.71 0.94 0.71 0.48 0.35 0.79 2.31 1.75 1.45 3.61 1.23 2.48 1.45 0.75 0.99 0.10 0.46 - 20 [ 0.10 .. 3.61]
530-> ILE A 11 HG1* - ALA A 62 HA [ 1.80 3.48] 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.18 0.62 1.74 0.00 0.97 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.17 .. 1.74]
531-> ILE A 11 HD1* - LEU A 14 HD* [ 1.80 4.10] 0.48 0.00 0.57 0.38 0.12 0.85 0.79 1.03 0.37 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.67 0.19 - 12 [ 0.12 .. 1.03]
532-> ILE A 11 HD1* - GLU A 61 HB* [ 1.80 4.40] 0.46 0.79 0.35 0.31 0.61 0.48 0.21 0.03 0.51 1.42 0.96 0.45 2.16 0.82 1.03 1.44 0.94 0.40 0.00 0.00 - 18 [ 0.03 .. 2.16]
533-> ILE A 11 HD1* - GLU A 61 HG* [ 1.80 4.07] 2.58 2.96 2.52 2.47 2.70 2.64 2.37 1.92 2.62 3.54 2.86 2.61 4.13 2.87 3.10 3.39 0.21 2.32 1.56 1.87 - 20 [ 0.21 .. 4.13]
535-> GLU A 12 HN - GLU A 12 HG* [ 1.80 3.70] 0.00 0.27 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.28 0.35 0.00 0.28 0.00 0.00 0.00 - 6 [ 0.27 .. 0.35]
537-> GLU A 12 HN - LEU A 14 HD* [ 1.80 4.62] 0.46 0.11 0.39 0.40 0.32 0.49 0.44 0.65 0.45 0.20 0.24 0.31 0.00 0.30 0.31 1.00 0.60 0.32 0.50 0.39 - 19 [ 0.11 .. 1.00]
545-> LEU A 14 HN - TYR A 33 HB* [ 1.80 5.81] 0.04 0.00 0.00 0.00 0.00 0.06 0.00 0.42 0.00 0.00 0.36 0.00 0.00 0.06 0.10 0.58 0.00 0.00 0.00 0.00 - 8 [ 0.00 .. 0.58]
547-> LEU A 14 HB* - ILE A 18 HG2* [ 1.80 3.94] 0.71 0.80 1.60 1.66 0.38 1.92 1.78 2.38 0.77 1.47 0.56 0.50 1.87 1.31 0.53 0.64 2.19 0.60 1.27 0.63 - 20 [ 0.38 .. 2.38]
549-> LEU A 14 HD* - LYS A 15 HN [ 1.80 3.80] 0.37 0.42 0.31 0.37 0.43 0.27 0.29 0.46 0.38 0.35 0.48 0.41 0.31 0.42 0.49 0.56 0.35 0.43 0.34 0.41 - 20 [ 0.27 .. 0.56]
551-> LEU A 14 HD* - ALA A 29 HN [ 1.80 5.92] 0.00 0.00 0.26 0.00 0.00 0.47 0.35 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 - 5 [ 0.26 .. 0.47]
561-> LEU A 14 HD* - GLU A 61 HG* [ 1.80 5.73] 2.42 2.38 1.60 1.82 2.23 1.31 1.44 1.27 2.41 2.17 2.02 2.12 1.75 1.87 2.69 4.02 0.87 1.76 1.73 2.16 - 20 [ 0.87 .. 4.02]
562-> LEU A 14 HD* - ALA A 62 HA [ 1.80 3.88] 0.95 0.65 0.23 0.21 0.69 0.00 0.17 0.03 0.84 0.36 0.21 0.28 0.36 0.21 1.32 2.57 0.51 0.00 0.00 0.34 - 17 [ 0.03 .. 2.57]
563-> LEU A 14 HD* - ALA A 62 HB* [ 1.80 2.93] 0.21 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 0.40 1.56 0.00 0.00 0.00 0.00 - 4 [ 0.11 .. 1.56]
564-> LEU A 14 HD* - TYR A 63 HN [ 1.80 5.44] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 - 1 [ 0.96 .. 0.96]
565-> LEU A 14 HD* - TYR A 63 HA [ 1.80 4.16] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.06 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 - 3 [ 0.06 .. 0.86]
567-> LEU A 14 HD* - VAL A 66 HB [ 1.80 3.94] 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 0.80 0.00 0.00 0.00 0.00 - 2 [ 0.00 .. 0.80]
571-> GLN A 16 HG* - HIS A 17 HA [ 1.80 4.44] 1.43 1.32 1.34 1.32 1.39 1.33 0.00 1.27 1.44 1.30 1.43 1.39 1.32 1.30 1.41 1.29 1.37 1.37 1.35 1.39 - 19 [ 1.27 .. 1.44]
572-> GLN A 16 HG* - ILE A 18 HN [ 1.80 5.81] 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 0.00 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
573-> GLN A 16 HG* - MET A 20 HN [ 1.80 4.50] 0.71 0.52 1.92 1.76 1.39 1.14 0.00 0.45 1.19 1.48 0.78 0.70 1.43 0.05 0.69 0.07 0.99 0.51 2.24 0.85 - 19 [ 0.05 .. 2.24]
574-> GLN A 16 HG* - ASN A 21 HN [ 1.80 4.45] 1.64 1.13 5.66 5.40 1.98 4.65 3.25 1.00 4.55 4.94 1.66 1.68 4.85 1.39 2.28 1.43 4.30 2.18 4.30 2.01 - 20 [ 1.00 .. 5.66]
575-> GLN A 16 HG* - GLN A 22 HN [ 1.80 4.06] 1.78 1.60 7.18 6.61 3.35 6.21 4.74 2.30 5.78 6.20 1.84 1.58 6.25 2.27 2.51 3.00 6.10 1.90 4.80 1.61 - 20 [ 1.58 .. 7.18]
576-> HIS A 17 HA - MET A 20 HG* [ 1.80 5.81] 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.03 0.05 0.00 0.00 0.00 0.20 0.00 0.27 0.31 0.00 - 7 [ 0.03 .. 0.42]
577-> HIS A 17 HB* - ILE A 18 HG2* [ 1.80 4.06] 1.02 0.74 1.30 1.35 1.20 1.29 1.34 0.81 1.33 1.39 1.29 1.14 1.30 1.21 1.25 0.97 1.22 0.95 1.28 1.10 - 20 [ 0.74 .. 1.39]
578-> HIS A 17 HB* - GLU A 19 HN [ 1.80 4.75] 0.28 0.10 0.00 0.03 0.24 0.18 0.05 0.00 0.63 0.17 0.57 0.52 0.03 0.20 0.69 0.06 0.15 0.43 0.07 0.59 - 18 [ 0.03 .. 0.69]
579-> ILE A 18 HA - LYS A 26 HB* [ 1.80 4.18] 0.00 1.01 0.36 1.91 2.48 1.48 0.69 0.00 0.00 0.41 0.00 0.00 0.28 0.31 0.00 0.67 0.00 1.97 0.00 0.00 - 11 [ 0.28 .. 2.48]
580-> ILE A 18 HA - LYS A 26 HG* [ 1.80 4.77] 0.00 0.00 0.00 1.41 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 - 3 [ 0.73 .. 1.41]
581-> ILE A 18 HG2* - GLU A 24 HG* [ 1.80 5.29] 2.81 1.44 0.44 1.07 2.46 2.94 0.38 2.94 0.57 0.48 3.01 2.38 0.58 2.11 3.23 1.84 1.79 1.54 0.74 2.01 - 20 [ 0.38 .. 3.23]
582-> ILE A 18 HG2* - LYS A 26 HG* [ 1.80 3.37] 0.00 0.00 0.00 0.79 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 - 4 [ 0.17 .. 1.20]
583-> ILE A 18 HD1* - LYS A 26 HG* [ 1.80 4.13] 0.38 1.29 0.52 0.52 1.32 0.80 0.00 0.12 0.52 0.35 0.29 1.09 0.29 1.06 0.14 0.32 0.28 2.40 0.54 0.43 - 19 [ 0.12 .. 2.40]
584-> ILE A 18 HD1* - GLU A 70 HG* [ 1.80 4.94] 2.30 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 3.70 0.81 1.44 0.58 0.00 0.00 1.58 0.00 0.00 0.00 0.00 - 7 [ 0.27 .. 3.70]
586-> GLU A 19 HN - LYS A 26 HG* [ 1.80 5.81] 0.00 1.01 0.00 2.81 2.65 1.24 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 1.88 0.00 0.00 - 7 [ 0.24 .. 2.81]
590-> MET A 20 HB* - ASN A 21 HN [ 1.80 3.28] 0.12 0.11 0.00 0.00 0.06 0.00 0.00 0.00 0.36 0.00 0.00 0.12 0.00 0.00 0.07 0.00 0.00 0.00 0.07 0.12 - 8 [ 0.06 .. 0.36]
591-> MET A 20 HB* - GLN A 22 HN [ 1.80 4.31] 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 0.21 0.00 0.32 0.00 - 3 [ 0.21 .. 0.42]
592-> ASN A 21 HN - ASN A 21 HB* [ 1.80 3.28] 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 0.18 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.15 .. 0.18]
593-> ASN A 21 HN - GLN A 22 HB* [ 1.80 4.16] 0.40 0.10 0.09 0.00 0.97 1.01 0.37 0.63 0.28 0.00 0.22 0.00 0.00 0.31 0.98 0.62 1.23 1.01 0.86 0.00 - 15 [ 0.09 .. 1.23]
595-> ASN A 21 HB* - GLU A 24 HN [ 1.80 5.81] 0.45 0.22 0.00 0.00 1.28 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 0.00 - 3 [ 0.22 .. 1.28]
599-> GLN A 22 HB* - SER A 23 HN [ 1.80 3.59] 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 0.00 0.23 0.00 0.00 0.27 0.23 0.00 - 3 [ 0.23 .. 0.27]
600-> GLN A 22 HG* - SER A 23 HN [ 1.80 4.37] 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 0.58 0.59 0.00 - 3 [ 0.58 .. 0.59]
603-> GLU A 24 HG* - ALA A 29 HN [ 1.80 4.36] 0.28 1.25 0.00 0.24 0.00 0.22 0.00 2.99 0.47 0.81 0.50 0.23 1.07 0.52 0.67 2.43 0.00 1.30 0.00 0.00 - 14 [ 0.22 .. 2.99]
604-> GLU A 24 HG* - ALA A 29 HB* [ 1.80 3.65] 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.20 0.60 0.29 0.43 0.23 0.00 0.28 0.00 0.00 0.00 0.00 - 8 [ 0.14 .. 0.64]
605-> GLU A 24 HG* - SER A 32 HN [ 1.80 5.05] 0.00 0.85 0.68 0.00 0.00 0.00 0.85 4.57 2.18 1.15 0.00 0.00 1.08 0.00 0.81 3.59 1.67 1.10 0.00 0.00 - 11 [ 0.68 .. 4.57]
606-> GLU A 24 HG* - TYR A 33 HN [ 1.80 4.31] 0.00 1.09 1.71 0.11 0.16 0.37 1.96 4.24 3.06 1.80 0.18 0.20 1.95 0.00 1.93 3.88 2.77 0.75 1.14 0.00 - 17 [ 0.11 .. 4.24]
614-> LYS A 26 HG* - ALA A 29 HN [ 1.80 5.81] 0.00 0.00 0.00 0.07 0.01 0.26 0.00 0.00 0.00 0.17 0.10 0.00 0.00 0.25 0.25 0.00 0.30 0.00 0.00 0.00 - 10 [ 0.00 .. 0.30]
616-> ILE A 27 HA - VAL A 66 HG* [ 1.80 5.34] 0.87 0.00 0.16 0.00 0.00 0.29 0.33 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 - 6 [ 0.16 .. 0.87]
617-> ILE A 27 HA - LYS A 67 HD* [ 1.80 4.95] 3.03 2.66 1.15 1.50 3.16 1.45 1.78 1.22 2.84 1.82 2.43 2.80 1.81 4.19 1.55 2.82 2.63 4.47 3.67 3.31 - 20 [ 1.15 .. 4.47]
619-> ILE A 27 HG2* - LYS A 67 HD* [ 1.80 5.75] 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.35 0.65 1.57 0.19 1.24 2.60 0.00 0.93 0.05 0.95 2.27 1.99 - 13 [ 0.04 .. 2.60]
620-> ILE A 27 HG1* - SER A 71 HN [ 1.80 5.81] 4.83 0.00 4.15 0.24 1.48 0.00 4.29 4.41 0.00 1.52 0.01 0.00 1.72 2.41 0.00 1.42 1.35 0.36 0.00 4.05 - 14 [ 0.01 .. 4.83]
621-> ILE A 27 HD1* - LYS A 67 HD* [ 1.80 2.68] 6.50 3.35 3.67 1.42 3.15 1.36 1.46 0.19 4.71 3.46 1.67 5.67 1.07 7.03 1.20 1.70 1.99 5.77 6.41 6.33 - 20 [ 0.19 .. 7.03]
622-> ILE A 27 HD1* - GLU A 70 HB* [ 1.80 5.40] 3.48 0.00 2.28 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.55 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.69 - 6 [ 0.43 .. 3.48]
623-> ILE A 27 HD1* - GLU A 70 HG* [ 1.80 5.81] 4.40 0.00 2.55 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.70 0.54 - 6 [ 0.54 .. 4.40]
624-> ALA A 29 HN - VAL A 66 HG* [ 1.80 4.13] 2.50 0.90 3.04 1.99 2.59 3.57 3.28 3.67 1.86 0.16 0.00 0.00 0.00 0.63 1.38 0.78 3.93 1.51 0.70 1.55 - 17 [ 0.16 .. 3.93]
625-> ALA A 29 HB* - TYR A 33 HB* [ 1.80 4.28] 0.00 0.00 0.00 0.00 0.09 0.06 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 - 4 [ 0.00 .. 0.12]
626-> MET A 30 HN - TYR A 33 HB* [ 1.80 4.41] 0.43 0.04 0.64 0.36 0.55 0.47 0.50 0.23 0.24 0.00 0.00 0.03 0.19 0.34 0.08 0.00 0.30 0.38 0.42 0.10 - 17 [ 0.03 .. 0.64]
627-> MET A 30 HN - LYS A 67 HD* [ 1.80 5.77] 2.68 2.98 2.16 2.16 3.74 0.97 3.10 2.78 2.77 1.16 2.81 1.13 2.87 3.57 2.65 4.34 4.15 3.40 3.15 2.77 - 20 [ 0.97 .. 4.34]
629-> MET A 30 HA - VAL A 66 HG* [ 1.80 4.12] 0.77 0.00 0.83 0.62 0.85 1.57 1.05 1.55 0.79 0.00 0.15 0.00 0.00 0.47 0.98 0.00 1.34 0.00 0.46 0.64 - 14 [ 0.15 .. 1.57]
630-> ASN A 31 HN - TYR A 33 HB* [ 1.80 5.03] 0.00 0.00 0.12 0.10 0.00 0.00 0.05 0.00 0.13 0.00 0.00 0.00 0.01 0.14 0.13 0.00 0.00 0.09 0.22 0.00 - 9 [ 0.01 .. 0.22]
636-> TYR A 33 HE* - LEU A 59 HD* [ 1.80 3.35] 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 1.67 0.00 0.00 0.00 0.00 0.00 - 2 [ 1.24 .. 1.67]
638-> TYR A 33 HD* - LEU A 59 HD* [ 1.80 4.17] 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 0.81 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.62 .. 0.81]
639-> TYR A 34 HN - VAL A 38 HG* [ 1.80 5.63] 0.04 0.12 0.07 0.00 0.00 0.01 0.00 0.04 0.21 0.24 0.00 0.10 0.25 0.10 0.13 0.14 0.16 0.00 0.21 0.01 - 15 [ 0.01 .. 0.25]
641-> TYR A 34 HE* - VAL A 37 HG* [ 1.80 5.11] 0.32 0.26 0.86 0.52 0.70 0.53 0.54 0.48 0.58 0.58 0.86 0.50 0.11 0.52 0.00 0.23 0.20 1.17 0.65 0.71 - 19 [ 0.11 .. 1.17]
658-> VAL A 37 HG* - THR A 40 HB [ 1.80 5.24] 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 0.00 0.00 0.32 0.00 0.00 0.00 0.00 - 1 [ 0.32 .. 0.32]
659-> VAL A 37 HG* - THR A 40 HG2* [ 1.80 4.87] 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 0.15 0.00 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
661-> VAL A 37 HG* - LEU A 41 HB* [ 1.80 3.95] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 - 1 [ 0.13 .. 0.13]
663-> VAL A 37 HG* - VAL A 42 HN [ 1.80 5.25] 0.56 0.49 0.38 0.18 0.44 0.25 0.33 0.33 0.39 0.33 0.42 0.00 0.47 0.44 0.47 0.07 0.46 0.29 0.22 0.67 - 19 [ 0.07 .. 0.67]
665-> VAL A 37 HG* - LEU A 59 HN [ 1.80 5.52] 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 0.11 0.00 0.00 0.00 0.18 0.00 - 4 [ 0.00 .. 0.18]
669-> VAL A 38 HN - LEU A 41 HD* [ 1.80 5.18] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.34 .. 0.34]
678-> SER A 39 HB* - THR A 40 HN [ 1.80 3.30] 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.38 0.00 0.00 0.25 0.34 0.00 0.00 0.25 0.00 - 6 [ 0.24 .. 0.46]
687-> THR A 40 HG2* - LEU A 41 HB* [ 1.80 4.60] 0.06 0.02 0.06 0.00 0.04 0.04 0.01 0.08 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.76 0.00 0.00 0.18 0.14 - 11 [ 0.01 .. 0.76]
688-> THR A 40 HG2* - LEU A 41 HD* [ 1.80 5.10] 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 0.74 0.00 0.00 0.00 0.00 - 1 [ 0.74 .. 0.74]
690-> THR A 40 HG2* - GLN A 43 HG* [ 1.80 5.81] 0.00 0.00 0.00 0.08 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 - 2 [ 0.08 .. 0.10]
694-> LEU A 41 HG - LEU A 59 HD* [ 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 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.82 .. 0.82]
701-> VAL A 42 HN - ASP A 44 HB* [ 1.80 5.81] 1.09 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 - 1 [ 1.09 .. 1.09]
708-> VAL A 42 HG* - ASP A 44 HN [ 1.80 4.47] 0.33 0.02 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.02 .. 0.33]
709-> VAL A 42 HG* - ASP A 44 HB* [ 1.80 5.73] 0.65 0.15 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 0.00 0.00 - 3 [ 0.15 .. 0.65]
710-> VAL A 42 HG* - VAL A 52 HN [ 1.80 5.92] 0.59 0.14 0.24 0.15 0.91 0.50 0.83 0.49 0.00 1.08 0.38 0.01 1.36 1.99 0.55 0.00 0.89 0.88 0.35 0.52 - 18 [ 0.01 .. 1.99]
716-> ASP A 44 HB* - LEU A 46 HN [ 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 0.00 0.00 0.14 - 1 [ 0.14 .. 0.14]
720-> GLN A 45 HG* - LEU A 46 HN [ 1.80 4.21] 0.74 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.30 0.00 0.00 0.00 - 4 [ 0.30 .. 0.74]
721-> GLN A 45 HG* - LEU A 46 HA [ 1.80 4.40] 1.72 0.00 1.34 1.51 1.14 1.10 1.67 1.33 1.30 1.38 1.39 1.50 1.34 1.12 1.63 0.09 1.56 0.00 1.46 1.24 - 18 [ 0.09 .. 1.72]
722-> GLN A 45 HG* - LEU A 46 HB* [ 1.80 5.61] 0.82 0.00 0.22 0.27 0.22 0.24 0.84 0.00 0.00 0.20 0.05 0.15 0.00 0.13 0.88 0.00 0.54 0.00 0.00 0.23 - 13 [ 0.05 .. 0.88]
723-> GLN A 45 HG* - LEU A 46 HG [ 1.80 5.81] 0.07 0.00 0.00 0.00 0.00 0.00 0.14 1.89 2.09 0.00 0.00 2.21 1.97 0.00 0.43 0.00 0.18 0.00 1.64 0.00 - 9 [ 0.07 .. 2.21]
724-> GLN A 45 HG* - THR A 47 HN [ 1.80 3.73] 1.92 0.00 1.26 1.23 1.08 0.78 2.24 1.33 1.26 1.16 1.46 1.34 2.29 0.98 1.24 0.00 1.84 0.00 1.41 0.79 - 17 [ 0.78 .. 2.29]
725-> GLN A 45 HG* - LYS A 48 HN [ 1.80 5.81] 1.74 0.00 0.91 0.36 0.65 0.00 1.51 1.67 1.05 0.24 1.35 1.72 2.60 0.60 0.47 0.00 1.53 0.00 1.41 0.49 - 16 [ 0.24 .. 2.60]
726-> GLN A 45 HG* - VAL A 51 HG* [ 1.80 4.15] 2.06 0.00 1.46 0.19 0.34 0.00 1.19 2.79 1.60 0.74 2.32 2.44 4.40 1.62 0.76 0.00 3.18 1.03 1.76 0.14 - 17 [ 0.14 .. 4.40]
727-> GLN A 45 HG* - VAL A 52 HN [ 1.80 5.84] 2.39 0.00 1.48 0.75 1.13 0.00 1.72 3.65 2.49 0.39 2.92 3.16 4.84 1.19 0.82 0.00 3.56 0.97 3.04 0.91 - 17 [ 0.39 .. 4.84]
728-> LEU A 46 HN - LEU A 46 HB* [ 1.80 3.08] 0.00 0.03 0.03 0.16 0.25 0.16 0.00 0.00 0.00 0.16 0.17 0.00 0.00 0.16 0.00 0.15 0.00 0.00 0.00 0.11 - 10 [ 0.03 .. 0.25]
732-> LEU A 46 HD* - LYS A 48 HN [ 1.80 5.47] 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 - 3 [ 0.05 .. 0.27]
733-> THR A 47 HN - VAL A 51 HG* [ 1.80 3.72] 1.22 0.43 0.91 0.77 0.46 1.79 0.70 1.09 0.78 1.15 1.05 0.74 1.19 1.69 1.30 0.79 1.77 1.84 0.42 0.24 - 20 [ 0.24 .. 1.84]
735-> THR A 47 HA - VAL A 51 HG* [ 1.80 4.87] 0.90 0.00 0.51 0.32 0.66 1.91 0.78 0.04 0.93 0.63 0.64 0.00 0.37 1.54 0.57 0.12 1.80 1.61 0.66 0.00 - 17 [ 0.04 .. 1.91]
736-> THR A 47 HB - VAL A 51 HG* [ 1.80 4.45] 0.00 0.00 0.00 0.00 0.22 2.24 0.18 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.23 0.26 0.00 - 7 [ 0.18 .. 2.24]
737-> THR A 47 HB - VAL A 52 HG* [ 1.80 5.52] 0.00 0.00 0.00 0.00 0.41 0.97 0.33 0.00 0.38 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 - 6 [ 0.17 .. 0.97]
738-> THR A 47 HG2* - LYS A 48 HB* [ 1.80 3.72] 0.00 0.00 1.04 0.00 1.06 0.00 1.11 0.00 1.06 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.14 0.00 1.02 0.00 - 7 [ 0.14 .. 1.11]
739-> THR A 47 HG2* - VAL A 51 HG* [ 1.80 2.41] 1.32 0.20 1.55 0.51 1.86 1.67 2.02 0.00 2.20 0.80 1.76 0.00 0.42 1.97 0.66 0.33 2.48 2.17 1.87 0.07 - 18 [ 0.07 .. 2.48]
741-> LYS A 48 HN - LYS A 48 HG* [ 1.80 4.08] 0.09 0.12 0.15 0.14 0.13 0.00 0.15 0.16 0.13 0.13 0.14 0.14 0.15 0.07 0.15 0.15 0.00 0.07 0.13 0.14 - 18 [ 0.07 .. 0.16]
744-> LYS A 48 HB* - ASN A 49 HN [ 1.80 3.64] 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.19 0.00 0.00 - 4 [ 0.03 .. 0.19]
749-> LYS A 48 HG* - ASN A 49 HN [ 1.80 3.83] 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 0.00 0.00 0.00 0.44 0.00 0.00 0.00 - 2 [ 0.44 .. 0.46]
751-> LYS A 48 HG* - ALA A 50 HA [ 1.80 4.54] 0.00 0.09 0.00 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 2.53 0.00 0.00 0.00 - 3 [ 0.09 .. 2.53]
752-> LYS A 48 HG* - VAL A 51 HN [ 1.80 4.24] 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 0.32 0.00 0.00 0.00 - 2 [ 0.31 .. 0.32]
753-> LYS A 48 HG* - VAL A 51 HG* [ 1.80 3.37] 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.11 - 3 [ 0.05 .. 0.11]
754-> LYS A 48 HG* - VAL A 52 HN [ 1.80 4.79] 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.05 - 3 [ 0.05 .. 1.18]
755-> LYS A 48 HE* - ASN A 49 HN [ 1.80 5.81] 0.00 0.00 0.00 0.00 0.00 0.63 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 - 2 [ 0.60 .. 0.63]
756-> LYS A 48 HE* - ASN A 49 HA [ 1.80 5.81] 0.62 0.31 0.36 0.44 0.48 2.34 0.50 0.43 0.57 0.50 0.44 0.21 0.42 0.59 0.53 0.40 2.37 0.78 0.47 0.35 - 20 [ 0.21 .. 2.37]
757-> LYS A 48 HE* - ALA A 50 HN [ 1.80 4.16] 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 - 2 [ 2.31 .. 2.46]
758-> LYS A 48 HE* - ALA A 50 HB* [ 1.80 4.62] 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 1.05 0.00 0.00 0.00 - 2 [ 0.77 .. 1.05]
761-> ASN A 49 HA - LEU A 53 HB* [ 1.80 4.67] 0.81 0.76 0.00 0.39 0.53 0.34 0.00 0.18 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.33 0.05 0.00 0.67 0.16 - 11 [ 0.05 .. 0.96]
767-> ASN A 49 HB* - LEU A 53 HD* [ 1.80 4.19] 0.00 0.00 0.16 0.00 0.95 0.00 0.10 0.45 0.24 0.04 0.00 0.09 0.16 0.16 0.36 0.61 0.18 0.00 0.00 0.00 - 12 [ 0.04 .. 0.95]
769-> ALA A 50 HN - VAL A 52 HG* [ 1.80 4.38] 0.48 0.54 0.73 0.54 0.53 0.71 0.64 0.55 0.68 0.67 0.61 0.81 0.70 0.59 0.54 0.46 0.46 0.74 0.53 0.89 - 20 [ 0.46 .. 0.89]
783-> VAL A 52 HN - LYS A 54 HD* [ 1.80 5.60] 0.86 0.70 0.27 0.86 0.62 0.76 0.82 0.57 0.70 1.73 0.08 0.94 0.77 0.00 0.85 0.72 0.12 0.23 0.27 0.40 - 19 [ 0.08 .. 1.73]
787-> VAL A 52 HG* - LEU A 53 HB* [ 1.80 3.96] 0.34 0.28 0.00 0.15 0.00 0.23 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.28 - 7 [ 0.15 .. 0.34]
789-> VAL A 52 HG* - LYS A 54 HD* [ 1.80 5.34] 1.29 1.16 1.00 1.35 1.18 1.24 1.24 1.07 1.12 1.60 0.92 1.21 1.25 0.83 1.24 1.10 0.93 1.01 1.02 1.15 - 20 [ 0.83 .. 1.60]
794-> LEU A 53 HN - LYS A 54 HD* [ 1.80 5.39] 1.06 1.04 0.44 0.96 1.00 0.93 1.05 1.02 1.03 0.92 0.23 1.15 1.05 0.33 1.08 1.05 0.34 0.29 0.40 0.35 - 20 [ 0.23 .. 1.15]
795-> LEU A 53 HN - ILE A 56 HG1* [ 1.80 4.64] 0.42 0.27 0.64 0.49 0.34 0.41 0.38 0.20 0.26 0.42 0.37 0.62 0.24 0.65 0.37 0.01 0.39 0.48 0.44 0.57 - 20 [ 0.01 .. 0.65]
799-> LEU A 53 HD* - ILE A 56 HA [ 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 0.00 0.01 0.42 - 2 [ 0.01 .. 0.42]
801-> LEU A 53 HD* - ILE A 56 HG1* [ 1.80 3.97] 0.00 0.00 0.69 0.12 0.00 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 0.27 0.66 - 5 [ 0.12 .. 0.69]
802-> LEU A 53 HD* - GLN A 57 HA [ 1.80 4.80] 1.42 1.27 0.00 1.13 0.00 0.98 0.05 0.01 0.00 0.22 1.39 0.00 0.00 0.00 0.00 0.20 0.73 0.76 1.12 1.48 - 13 [ 0.01 .. 1.48]
803-> LEU A 53 HD* - GLN A 57 HG* [ 1.80 3.70] 0.61 0.42 0.65 2.52 0.00 2.40 1.37 0.00 0.00 1.32 0.63 1.08 0.00 0.00 0.00 0.00 0.02 0.10 2.38 0.44 - 13 [ 0.02 .. 2.52]
804-> LYS A 54 HN - LYS A 54 HG* [ 1.80 3.73] 0.26 0.26 0.00 0.27 0.26 0.26 0.26 0.25 0.25 0.33 0.00 0.26 0.26 0.00 0.26 0.26 0.00 0.00 0.00 0.00 - 13 [ 0.25 .. 0.33]
806-> LYS A 54 HN - GLN A 57 HG* [ 1.80 4.90] 0.03 0.16 1.53 1.51 0.00 1.56 1.86 0.00 0.00 2.03 0.09 1.30 0.00 0.00 0.00 0.00 0.05 0.00 1.62 0.19 - 12 [ 0.03 .. 2.03]
813-> ARG A 55 HN - GLN A 57 HG* [ 1.80 5.31] 0.21 0.18 1.52 1.23 0.00 1.30 1.56 0.03 0.00 1.70 0.19 1.18 0.00 0.00 0.00 0.00 0.09 0.00 1.38 0.19 - 13 [ 0.03 .. 1.70]
817-> ILE A 56 HG1* - GLN A 57 HN [ 1.80 4.04] 0.08 0.06 0.07 0.15 0.12 0.09 0.08 0.12 0.14 0.06 0.10 0.16 0.08 0.10 0.10 0.12 0.08 0.08 0.08 0.07 - 20 [ 0.06 .. 0.16]
820-> LEU A 59 HB2 - GLU A 61 HG* [ 1.80 5.81] 0.85 1.39 1.68 1.44 0.79 1.59 0.93 0.66 1.77 1.50 0.95 1.21 1.52 0.79 0.75 1.31 2.43 0.92 1.32 0.98 - 20 [ 0.66 .. 2.43]
824-> ASP A 60 HN - GLU A 61 HG* [ 1.80 5.81] 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 0.00 0.00 0.55 0.00 0.00 0.00 - 1 [ 0.55 .. 0.55]
828-> ASP A 60 HB* - TYR A 63 HE* [ 1.80 5.06] 1.08 1.77 1.77 1.95 1.51 1.74 1.99 1.42 1.31 1.26 1.63 1.12 2.28 1.26 0.70 1.59 1.82 2.01 1.13 1.64 - 20 [ 0.70 .. 2.28]
829-> ASP A 60 HB* - TYR A 63 HD* [ 1.80 5.18] 0.00 0.04 0.00 0.27 0.00 0.01 0.14 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.02 0.42 0.00 0.00 - 7 [ 0.01 .. 0.42]
831-> GLU A 61 HN - GLU A 61 HG* [ 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 0.48 0.00 0.00 0.00 - 1 [ 0.48 .. 0.48]
834-> GLU A 61 HG* - ALA A 62 HN [ 1.80 4.10] 0.04 0.00 0.01 0.01 0.01 0.03 0.00 0.00 0.05 0.06 0.07 0.00 0.13 0.03 0.00 0.00 0.00 0.10 0.07 0.09 - 14 [ 0.00 .. 0.13]
835-> GLU A 61 HG* - LYS A 65 HB* [ 1.80 5.61] 0.70 0.85 0.44 0.46 0.83 0.00 0.54 0.16 0.77 1.42 1.08 1.38 2.31 1.18 0.81 1.23 0.00 0.20 0.51 0.60 - 18 [ 0.16 .. 2.31]
837-> ALA A 62 HN - LYS A 65 HB* [ 1.80 5.32] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.03 .. 0.54]
842-> TYR A 63 HE* - LYS A 67 HD* [ 1.80 4.83] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 - 1 [ 0.29 .. 0.29]
849-> VAL A 66 HG* - GLU A 70 HG* [ 1.80 3.12] 2.38 0.00 0.00 0.00 1.01 0.43 0.00 2.11 0.00 1.90 0.97 0.37 1.38 0.00 0.00 1.28 1.86 0.00 0.00 0.00 - 10 [ 0.37 .. 2.38]
851-> LYS A 67 HN - GLU A 70 HG* [ 1.80 5.81] 0.78 0.00 0.00 0.00 0.80 0.14 0.00 1.62 0.00 1.20 1.12 0.00 0.65 0.05 0.03 0.38 1.28 0.00 0.14 0.00 - 12 [ 0.03 .. 1.62]
853-> LYS A 67 HB2 - ARG A 68 HD* [ 1.80 5.81] 0.84 0.69 0.00 1.97 0.56 1.92 0.58 0.79 2.15 1.93 0.69 1.00 0.00 0.64 0.64 2.01 0.64 0.97 1.86 0.88 - 18 [ 0.56 .. 2.15]
854-> LYS A 67 HD* - GLU A 70 HN [ 1.80 5.81] 1.07 1.25 1.06 0.50 1.95 0.46 0.61 0.97 0.12 0.00 1.14 0.00 0.93 1.42 1.19 0.71 0.00 0.76 0.98 0.82 - 17 [ 0.12 .. 1.95]
855-> ARG A 68 HN - ARG A 68 HG* [ 1.80 3.64] 0.00 0.00 0.00 0.35 0.00 0.36 0.36 0.00 0.35 0.35 0.00 0.00 0.00 0.00 0.38 0.35 0.00 0.00 0.36 0.00 - 8 [ 0.35 .. 0.38]
857-> ARG A 68 HN - GLY A 69 HA* [ 1.80 4.33] 0.18 0.00 0.17 0.33 0.10 0.33 0.15 0.05 0.47 0.28 0.00 0.22 0.13 0.00 0.08 0.41 0.17 0.11 0.19 0.18 - 17 [ 0.05 .. 0.47]
866-> GLY A 69 HN - GLU A 70 HG* [ 1.80 4.75] 0.13 0.00 0.00 0.00 1.46 0.00 0.00 1.51 0.00 1.53 1.56 1.05 1.43 0.06 0.00 1.45 1.56 0.00 0.00 0.00 - 10 [ 0.06 .. 1.56]
870-> GLU A 70 HN - GLU A 70 HG* [ 1.80 3.81] 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.16 0.00 0.18 0.20 0.22 0.20 0.00 0.00 0.23 0.12 0.00 0.00 0.00 - 8 [ 0.12 .. 0.47]
872-> GLU A 70 HA - GLU A 70 HG* [ 1.80 3.08] 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 0.00 0.00 0.00 - 1 [ 0.26 .. 0.26]
873-> SER A 71 HN - SER A 71 HB* [ 1.80 3.06] 0.00 0.00 0.00 0.05 0.00 0.24 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.36 0.00 - 5 [ 0.05 .. 0.36]
874-> SER A 71 HN - LYS A 72 HG* [ 1.80 5.81] 0.00 0.02 0.00 0.00 0.79 0.00 0.00 0.00 0.71 0.32 0.00 0.88 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.02 .. 0.88]
875-> SER A 71 HA - LYS A 72 HB* [ 1.80 4.87] 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 0.14 0.00 0.00 0.00 - 1 [ 0.14 .. 0.14]
876-> SER A 71 HB* - LYS A 72 HN [ 1.80 3.89] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.02 0.02 0.14 0.00 0.01 0.00 0.00 0.01 0.00 0.00 - 7 [ 0.00 .. 0.14]
877-> SER A 71 HB* - LEU A 73 HN [ 1.80 5.61] 0.00 0.45 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.07 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.03 .. 0.45]
882-> LYS A 72 HB* - LEU A 73 HN [ 1.80 3.90] 0.00 0.00 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 0.13 0.00 0.00 0.00 - 2 [ 0.11 .. 0.13]
884-> LEU A 73 HN - LEU A 73 HB* [ 1.80 3.00] 0.00 0.00 0.00 0.00 0.22 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.28 0.25 - 5 [ 0.19 .. 0.30]
886-> LEU A 73 HN - GLU A 74 HG* [ 1.80 5.81] 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 0.00 0.61 - 2 [ 0.11 .. 0.61]
888-> LEU A 73 HA - GLU A 74 HB* [ 1.80 5.34] 0.00 0.00 0.15 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 - 2 [ 0.12 .. 0.15]
890-> LEU A 73 HB* - GLU A 74 HN [ 1.80 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 0.00 0.00 0.00 0.00 0.00 0.12 0.00 - 1 [ 0.12 .. 0.12]
891-> LEU A 73 HB* - GLU A 74 HG* [ 1.80 5.10] 0.00 0.00 0.00 0.00 0.00 0.25 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 0.36 - 3 [ 0.20 .. 0.36]
893-> LEU A 73 HD* - HIS A 75 HN [ 1.80 5.80] 0.00 0.00 0.00 0.00 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 0.88 - 2 [ 0.88 .. 1.11]
894-> LEU A 73 HD* - HIS A 75 HB* [ 1.80 5.73] 0.00 0.70 0.00 0.02 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.33 0.91 0.00 0.00 0.31 0.00 0.47 - 7 [ 0.02 .. 0.91]
895-> GLU A 74 HN - GLU A 74 HB* [ 1.80 3.19] 0.13 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 0.18 0.00 0.00 0.17 0.13 0.00 - 6 [ 0.13 .. 0.18]
896-> GLU A 74 HN - GLU A 74 HG* [ 1.80 3.71] 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 - 2 [ 0.48 .. 0.53]
-------------------------------------------
Number of Violations greater than 0.10 168 134 149 133 156 158 151 144 143 154 138 139 148 140 157 161 171 147 160 151
-------------------------------------------
---- 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 19 14 17 16 8 17 17 15 12 25 20 17 16 16 21 20 14 20 22 17.25
0.2 - 0.5 ang: 37 40 31 41 38 44 38 36 32 38 36 37 46 36 38 35 36 35 48 38 38.00
> 0.5 ang: 112 75 104 75 102 106 96 91 96 104 77 82 85 88 103 105 115 98 92 91 94.85
Total : 193 164 171 153 180 180 172 165 162 174 160 159 170 167 180 179 202 164 179 175 172.45
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 : 7.588 4.649 7.185 6.609 4.333 6.209 4.743 4.566 5.785 6.196 4.239 5.667 6.247 7.032 6.334 4.708 6.104 5.767 6.413 6.331 7.588
Max Intra Viol : 0.850 0.502 0.856 0.363 0.473 0.837 0.361 0.253 0.508 0.844 0.233 0.492 0.349 0.850 0.381 0.355 0.484 0.505 0.847 0.854 0.856
Max Seque Viol : 6.137 2.287 1.341 2.226 2.296 2.350 3.443 2.276 2.270 2.599 2.310 2.212 2.467 2.342 6.315 2.939 2.420 2.430 2.277 2.449 6.315
Max Medium Viol : 2.379 1.774 2.379 2.521 2.378 2.402 2.470 3.289 2.598 2.299 2.370 2.145 2.597 2.161 1.295 1.871 3.138 2.971 3.625 2.182 3.625
Max Long Viol : 7.588 4.649 7.185 6.609 4.333 6.209 4.743 4.566 5.785 6.196 4.239 5.667 6.247 7.032 6.334 4.708 6.104 5.767 6.413 6.331 7.588
Average Violation : 0.267 0.124 0.228 0.149 0.180 0.210 0.208 0.188 0.187 0.213 0.144 0.171 0.202 0.191 0.200 0.190 0.237 0.193 0.210 0.187 0.19405
Avge Intra Viol : 0.010 0.008 0.009 0.008 0.008 0.015 0.009 0.005 0.010 0.016 0.006 0.009 0.008 0.011 0.011 0.009 0.009 0.006 0.015 0.011 0.00952
Avge Seque Viol : 0.180 0.131 0.200 0.149 0.195 0.253 0.187 0.210 0.143 0.191 0.176 0.150 0.164 0.176 0.126 0.166 0.260 0.173 0.219 0.132 0.17909
Avge Mediu Viol : 0.130 0.048 0.045 0.057 0.069 0.071 0.087 0.070 0.085 0.085 0.062 0.074 0.094 0.050 0.133 0.092 0.104 0.071 0.087 0.075 0.07951
Avge Long Viol : 0.885 0.359 0.792 0.446 0.521 0.579 0.646 0.544 0.603 0.658 0.381 0.529 0.638 0.628 0.619 0.578 0.661 0.619 0.604 0.634 0.59625
RMS Violation : 0.920 0.444 0.808 0.593 0.562 0.678 0.674 0.628 0.651 0.709 0.489 0.638 0.720 0.707 0.699 0.612 0.734 0.647 0.715 0.674 0.67263
RMS Intra : 0.068 0.048 0.068 0.046 0.048 0.083 0.048 0.030 0.056 0.080 0.031 0.050 0.043 0.071 0.056 0.046 0.052 0.042 0.082 0.074 0.05835
RMS Sequential : 0.441 0.345 0.502 0.412 0.496 0.596 0.513 0.565 0.436 0.505 0.476 0.399 0.474 0.455 0.313 0.407 0.655 0.489 0.586 0.344 0.47820
RMS Medium range : 0.643 0.220 0.206 0.266 0.278 0.305 0.375 0.303 0.330 0.351 0.266 0.293 0.367 0.228 0.656 0.368 0.371 0.296 0.333 0.311 0.35716
RMS Long range : 1.829 0.865 1.690 1.192 1.060 1.291 1.306 1.183 1.303 1.406 0.883 1.301 1.445 1.463 1.289 1.202 1.379 1.279 1.386 1.401 1.32609
Final --global-- Summary for 20 models, 898 NOEs/model, 17960 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 3485.135
Summ sq. viol : 8125.724
Maximum viol : 7.588
Average viol : 0.19405
RMSD viol : 0.67263
Std. Dev. viol : 0.64403
RMS Intra : 0.05835
RMS Seque : 0.47820
RMS Medi : 0.35716
RMS Long : 1.32609
table of dihedral angle constraints violations
1-> [VAL A 7] PHI -72.0 -36.0 0.0 3.0 0.0 12.4 0.0 8.3 0.0 4.4 0.0 4.6 2.3 6.3 0.0 2.8 0.0 4.7 0.0 5.6 8.6 0.0 - 11 [ 0.0 .. 12.4]
3-> [TYR A 9] PHI -77.0 -57.0 0.0 0.0 0.5 0.0 0.0 3.9 8.5 2.3 0.0 0.0 0.0 0.0 19.2 0.0 14.3 0.0 8.3 0.0 7.1 0.0 - 8 [ 0.0 .. 19.2]
4-> [TYR A 9] PSI -58.0 -22.0 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 3.8 23.1 0.0 0.0 2.8 - 4 [ 0.0 .. 23.1]
5-> [PHE A 10] PHI -81.0 -49.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.9 0.0 0.0 0.0 33.3 4.9 0.0 9.0 - 4 [ 0.0 .. 33.3]
6-> [PHE A 10] PSI -51.0 -31.0 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 2.6 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.6]
7-> [ILE A 11] PHI -75.0 -55.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.9 0.0 0.0 0.0 20.2 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 20.2]
8-> [ILE A 11] PSI -54.0 -34.0 0.0 4.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 13.4 1.7 9.2 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 13.4]
11-> [ASN A 13] PHI -73.0 -53.0 0.4 0.0 0.0 0.0 1.8 0.0 0.0 0.0 0.0 1.2 0.0 1.7 10.0 0.0 0.0 0.0 0.0 0.0 0.0 2.3 - 6 [ 0.0 .. 10.0]
12-> [ASN A 13] PSI -52.0 -32.0 4.1 0.0 0.0 0.0 0.9 0.0 0.0 0.4 0.0 0.0 0.0 0.0 0.8 0.0 1.0 8.6 0.0 0.0 1.1 0.6 - 8 [ 0.0 .. 8.6]
13-> [LEU A 14] PHI -73.0 -49.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9.4 0.0 0.0 3.4 0.0 0.0 0.0 0.0 32.3 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 32.3]
14-> [LEU A 14] PSI -57.0 -37.0 0.0 9.2 0.0 1.3 8.0 0.0 0.0 12.1 2.9 1.8 14.8 3.9 0.0 6.6 12.2 44.1 0.5 7.2 0.0 5.4 - 14 [ 0.0 .. 44.1]
16-> [LYS A 15] PSI -52.0 -32.0 3.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.5 0.0 12.8 5.2 0.0 0.0 3.2 10.8 0.0 2.2 1.8 5.1 - 9 [ 0.0 .. 12.8]
17-> [GLN A 16] PHI -80.0 -56.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.2 0.0 0.0 - 2 [ 0.0 .. 5.2]
18-> [GLN A 16] PSI -54.0 -30.0 17.0 0.6 0.0 0.0 0.0 0.0 0.0 2.5 27.2 0.0 13.0 11.5 0.0 0.0 14.3 2.1 0.0 22.8 0.0 10.0 - 10 [ 0.0 .. 27.2]
19-> [HIS A 17] PHI -80.0 -52.0 30.8 0.2 0.0 0.0 20.0 0.0 0.0 0.0 48.7 0.0 42.8 33.9 0.0 0.0 39.3 0.0 0.0 32.1 13.4 31.2 - 10 [ 0.0 .. 48.7]
20-> [HIS A 17] PSI -52.0 -26.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 20.9 6.1 16.1 10.7 0.0 0.0 18.5 0.0 5.9 4.5 2.8 8.7 - 9 [ 0.0 .. 20.9]
21-> [ILE A 18] PHI -74.0 -54.0 5.4 31.1 0.0 0.0 0.0 0.0 0.0 30.6 25.2 0.0 21.3 28.1 0.0 9.5 30.6 30.8 17.2 37.0 0.0 26.6 - 12 [ 0.0 .. 37.0]
22-> [ILE A 18] PSI -54.0 -34.0 0.0 2.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.1 0.0 0.0 2.7 0.0 0.0 4.1 0.0 5.6 - 5 [ 0.0 .. 5.6]
23-> [GLU A 19] PHI -76.0 -48.0 6.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 15.5 2.4 0.0 4.2 0.0 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 15.5]
24-> [GLU A 19] PSI -51.0 -25.0 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 0.0 0.0 0.0 8.5 0.0 - 2 [ 0.0 .. 9.1]
25-> [ILE A 27] PHI -83.0 -51.0 0.0 14.7 27.7 19.2 32.1 37.0 6.9 0.0 11.0 30.1 15.5 0.0 0.0 33.1 28.0 0.0 23.1 31.8 19.2 23.6 - 15 [ 0.0 .. 37.0]
26-> [ILE A 27] PSI -55.0 -15.0 0.9 0.0 0.0 0.0 0.0 13.9 0.0 0.0 0.0 5.8 0.0 0.0 0.0 5.0 0.0 0.0 0.0 0.0 4.4 0.8 - 7 [ 0.0 .. 13.9]
27-> [HIS A 28] PHI -92.0 -52.0 0.0 0.0 7.5 0.0 0.0 2.7 0.0 0.0 0.0 11.7 0.0 8.5 0.3 12.1 0.0 0.0 0.0 0.0 16.8 10.3 - 8 [ 0.0 .. 16.8]
28-> [HIS A 28] PSI -79.0 17.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 7.6]
31-> [MET A 30] PHI -72.0 -52.0 0.0 0.0 0.0 2.1 0.0 0.0 0.0 0.0 2.8 0.0 8.4 18.0 2.9 18.0 2.6 1.0 0.0 0.0 1.0 0.0 - 9 [ 0.0 .. 18.0]
32-> [MET A 30] PSI -53.0 -33.0 7.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.1 13.8 13.0 0.0 15.8 0.0 2.9 0.0 0.0 2.3 0.5 - 8 [ 0.0 .. 15.8]
33-> [ASN A 31] PHI -78.0 -56.0 10.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.2 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 .. 10.3]
34-> [ASN A 31] PSI -56.0 -20.0 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 3.3 0.0 0.0 0.0 0.0 1.5 0.0 - 2 [ 0.0 .. 3.3]
35-> [SER A 32] PHI -84.0 -52.0 0.0 0.0 0.0 1.2 0.0 0.0 0.0 0.0 4.0 23.6 23.2 13.2 6.1 29.1 5.9 0.0 0.0 0.0 7.1 6.1 - 10 [ 0.0 .. 29.1]
36-> [SER A 32] PSI -51.0 -23.0 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 0.0 - 1 [ 0.0 .. 3.7]
37-> [TYR A 33] PHI -80.0 -52.0 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 10.3 0.0 0.0 0.0 15.0 0.0 - 2 [ 0.0 .. 15.0]
38-> [TYR A 33] PSI -61.0 -21.0 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 9.5 0.0 - 1 [ 0.0 .. 9.5]
40-> [TYR A 34] PSI -55.0 -31.0 0.0 0.0 0.0 4.2 2.3 4.4 0.1 2.6 0.0 0.4 0.6 0.0 2.5 3.5 0.0 0.0 0.0 5.1 0.0 0.0 - 10 [ 0.0 .. 5.1]
41-> [ARG A 35] PHI -72.0 -48.0 0.0 0.0 0.0 0.0 0.0 0.6 0.0 0.0 0.0 0.0 3.3 1.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 3.3]
42-> [ARG A 35] PSI -63.0 -27.0 0.0 0.0 0.0 0.0 0.0 0.5 0.0 0.0 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.3]
43-> [SER A 36] PHI -74.0 -54.0 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 16.4 0.0 - 1 [ 0.0 .. 16.4]
44-> [SER A 36] PSI -53.0 -29.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.7 0.0 - 2 [ 0.0 .. 5.7]
45-> [VAL A 37] PHI -76.0 -52.0 0.0 0.0 0.0 0.0 1.0 0.0 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.1 16.7 0.0 - 4 [ 0.0 .. 16.7]
48-> [VAL A 38] PSI -57.0 -33.0 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 7.8 0.0 - 1 [ 0.0 .. 7.8]
49-> [SER A 39] PHI -69.0 -49.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 18.7 0.0 0.0 10.5 0.0 0.0 0.0 1.8 0.0 0.0 20.4 0.0 - 4 [ 0.0 .. 20.4]
50-> [SER A 39] PSI -59.0 -19.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.3 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 .. 6.3]
51-> [THR A 40] PHI -83.0 -51.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.1 0.0 0.0 7.8 0.0 0.0 0.0 31.5 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 31.5]
52-> [THR A 40] PSI -55.0 -27.0 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 25.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 25.0]
54-> [LEU A 41] PSI -49.0 -29.0 2.4 0.0 0.0 0.0 4.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 11.9 0.5 0.0 0.0 0.0 4.9 0.0 - 5 [ 0.0 .. 11.9]
55-> [VAL A 42] PHI -105.0 -49.0 2.1 0.0 1.1 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 - 3 [ 0.0 .. 6.4]
56-> [VAL A 42] PSI -50.0 22.0 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 4.4 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 4.4]
59-> [ALA A 50] PHI -74.0 -54.0 0.0 8.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 8.0]
60-> [ALA A 50] PSI -50.0 -24.0 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 2.4 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.4]
65-> [LEU A 53] PHI -70.0 -50.0 0.0 0.0 0.0 2.0 0.0 3.5 0.0 0.0 0.0 0.0 3.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 3.5]
67-> [LYS A 54] PHI -74.0 -54.0 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 1.3 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.3]
70-> [ARG A 55] PSI -53.0 -33.0 0.0 2.8 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 10.0 0.7 0.0 0.0 0.0 - 5 [ 0.0 .. 10.0]
71-> [ILE A 56] PHI -76.0 -56.0 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 0.0 0.0 0.0 1.2 0.0 0.0 - 2 [ 0.0 .. 1.2]
72-> [ILE A 56] PSI -51.0 -31.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.5 0.0 0.0 0.0 4.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 4.5]
73-> [GLN A 57] PHI -70.0 -50.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.9 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 .. 3.9]
75-> [HIS A 58] PHI -77.0 -57.0 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 1.4 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.4]
76-> [HIS A 58] PSI -55.0 -23.0 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 4.6 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 4.6]
79-> [ASP A 60] PHI -73.0 -53.0 0.0 0.0 0.0 0.0 2.1 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 .. 2.1]
80-> [ASP A 60] PSI -54.0 -30.0 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 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 9.1]
82-> [GLU A 61] PSI -58.0 -14.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.3 0.0 0.0 0.0 0.0 0.0 0.0 9.4 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 9.4]
84-> [ALA A 62] PSI -58.0 -34.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.9 11.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 11.9]
86-> [TYR A 63] PSI -56.0 -32.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.9]
87-> [ASN A 64] PHI -71.0 -51.0 0.0 0.0 1.6 0.7 0.0 0.0 0.0 0.8 0.0 0.0 0.0 0.0 0.0 0.0 0.9 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 1.6]
89-> [LYS A 65] PHI -75.0 -55.0 0.7 0.0 0.0 0.0 0.0 0.0 2.9 0.0 0.0 0.0 0.0 0.0 5.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 5.1]
90-> [LYS A 65] PSI -51.0 -27.0 0.0 0.0 0.0 0.0 0.0 0.0 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 - 1 [ 0.0 .. 2.0]
91-> [VAL A 66] PHI -74.0 -54.0 0.0 0.3 0.0 0.6 0.0 0.0 0.0 0.3 1.5 11.2 0.0 5.6 0.0 0.0 0.0 1.1 1.1 0.0 1.2 0.0 - 9 [ 0.0 .. 11.2]
93-> [LYS A 67] PHI -71.0 -51.0 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 5.7 0.0 1.1 0.0 0.0 0.0 - 2 [ 0.0 .. 5.7]
94-> [LYS A 67] PSI -56.0 -28.0 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 15.4 0.0 9.8 0.0 0.0 0.0 - 3 [ 0.0 .. 15.4]
---- 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 : 7 6 3 5 8 5 4 6 8 6 5 14 6 12 11 10 5 10 16 9 7.80
> 10. degrees : 3 2 1 2 2 2 0 2 6 4 10 8 4 6 9 7 4 4 7 5 4.40
Total : 15 12 6 9 11 9 6 14 17 11 16 24 12 19 25 17 11 15 23 18 14.50
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 : 30.8 31.1 27.7 19.2 32.1 37.0 8.5 30.6 48.7 30.1 42.8 33.9 19.2 33.1 39.3 44.1 33.3 37.0 20.4 31.2 48.66
Max PHI Viol : 30.8 31.1 27.7 19.2 32.1 37.0 8.5 30.6 48.7 30.1 42.8 33.9 19.2 33.1 39.3 32.3 33.3 37.0 20.4 31.2 48.66
Max PSI Viol : 17.0 9.2 0.0 4.2 8.0 13.9 2.0 12.1 27.2 6.1 16.1 13.0 13.4 15.8 18.5 44.1 23.1 22.8 9.5 10.0 44.11
Average Violation : 1.0 0.8 0.4 0.5 0.8 0.8 0.2 0.7 1.8 1.0 2.2 2.1 0.8 1.8 2.5 2.4 1.3 1.7 2.0 1.6 1.327
Avge PHI Viol : 1.082 1.093 0.896 0.892 1.099 1.080 0.626 1.036 1.537 1.310 1.700 1.714 0.995 1.508 1.705 1.612 1.323 1.588 1.725 1.557 1.344
Avge PSI Viol : 0.863 0.624 0.023 0.339 0.618 0.626 0.206 0.618 1.151 0.596 1.217 1.115 0.796 1.186 1.467 1.495 0.912 0.979 1.024 0.908 0.920
RMS Violation : 3.959 3.773 2.941 2.401 3.998 4.193 1.178 3.570 7.031 4.368 6.782 5.874 3.037 5.719 7.135 8.101 5.274 6.577 5.117 5.381 5.127
RMS PHI Viol : 4.843 5.110 4.159 3.335 5.475 5.544 1.642 4.708 8.544 6.036 8.433 7.601 3.403 7.262 8.724 8.433 6.467 8.552 6.762 7.226 6.428
RMS PSI Viol : 2.810 1.536 0.004 0.638 1.412 2.103 0.284 1.824 5.085 1.312 4.570 3.352 2.622 3.561 5.072 7.755 3.715 3.657 2.577 2.385 3.355
Final --global-- Summary for 20 models, 96 ACOs/model, 1920 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 2548.63
Summ. Sq. Viol. : 50468.84
Max. Viol. : 48.658
Avg. Viol. : 1.32741
RMS Viol. : 5.12697
Std. Dev. Viol. : 4.95216
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 M 1 0.118 0.686 0.508 0.340
SER M 2 0.268 0.114 0.324
GLU M 3 0.393 0.803 0.574 0.850 0.904
LEU M 4 0.271 0.438 0.684 0.704
PHE M 5 0.641 0.743 0.469 0.744
SER M 6 0.501 0.770 0.772
VAL M 7 0.993 0.998 1.000 7 7
PRO M 8 0.998 0.993 0.969 0.935 8 8
TYR M 9 0.974 0.971 0.518 0.940 9 9
PHE M 10 0.964 0.993 0.866 0.344 10 10
ILE M 11 0.992 0.992 0.897 0.612 11 11
GLU M 12 0.997 0.993 0.676 0.416 0.901 12 12
ASN M 13 0.998 0.996 1.000 0.997 13 13
LEU M 14 0.985 0.984 0.998 0.998 14 14
LYS M 15 0.999 0.985 0.649 1.000 0.999 0.999 15 15
GLN M 16 0.994 0.983 0.935 0.930 0.982 16 16
HIS M 17 0.932 0.981 0.919 0.329 17 17
ILE M 18 0.960 0.991 0.999 0.999 18 18
GLU M 19 0.991 0.990 0.711 0.644 0.961 19 19
MET M 20 0.969 0.537 0.865 0.526 0.298
ASN M 21 0.632 0.912 0.696 0.683
GLN M 22 0.932 0.757 0.696 0.336 0.725
SER M 23 0.657 0.897 0.365
GLU M 24 0.967 0.839 0.320 0.357 0.839 24
ASP M 25 0.915 0.975 0.944 0.906 25 25
LYS M 26 0.963 0.914 0.709 0.932 0.803 0.867 26 26
ILE M 27 0.957 0.974 0.238 0.339 27 27
HIS M 28 0.960 0.948 0.731 0.671 28 28
ALA M 29 0.996 0.992 29 29
MET M 30 0.993 0.990 0.666 0.494 0.330 30 30
ASN M 31 0.993 0.988 0.999 0.997 31 31
SER M 32 0.966 0.993 0.552 32 32
TYR M 33 0.987 0.988 0.997 0.974 33 33
TYR M 34 1.000 0.997 0.994 0.994 34 34
ARG M 35 0.994 0.991 0.591 0.618 0.286 0.779 1.000 35 35
SER M 36 0.992 0.995 0.507 36 36
VAL M 37 0.992 0.996 1.000 37 37
VAL M 38 0.998 0.996 0.942 38 38
SER M 39 0.986 0.985 0.383 39 39
THR M 40 0.974 0.987 0.924 40 40
LEU M 41 0.998 0.993 0.872 0.867 41 41
VAL M 42 0.969 0.940 0.419 42 42
GLN M 43 0.959 0.882 0.927 0.554 0.776 43
ASP M 44 0.814 0.065 0.778 0.896
GLN M 45 0.164 0.477 0.805 0.394 0.667
LEU M 46 0.367 0.964 0.695 0.743
THR M 47 0.907 0.977 0.514 47 47
LYS M 48 0.972 0.979 0.874 0.998 0.999 0.999 48 48
ASN M 49 0.997 0.997 0.922 0.980 49 49
ALA M 50 0.997 0.998 50 50
VAL M 51 0.999 0.999 1.000 51 51
VAL M 52 0.999 0.998 1.000 52 52
LEU M 53 0.998 0.997 0.635 0.602 53 53
LYS M 54 0.996 0.999 0.664 0.934 0.996 0.625 54 54
ARG M 55 0.998 0.996 0.999 0.923 0.928 0.940 1.000 55 55
ILE M 56 0.999 0.998 1.000 1.000 56 56
GLN M 57 0.998 0.998 0.667 0.689 0.882 57 57
HIS M 58 0.994 0.996 0.999 0.380 58 58
LEU M 59 0.998 0.998 0.606 0.628 59 59
ASP M 60 0.997 0.995 0.844 0.822 60 60
GLU M 61 0.999 0.992 0.933 0.591 0.845 61 61
ALA M 62 0.999 0.997 62 62
TYR M 63 0.999 0.997 0.996 0.964 63 63
ASN M 64 0.999 0.998 1.000 1.000 64 64
LYS M 65 0.996 0.994 0.769 0.735 0.998 0.934 65 65
VAL M 66 0.996 0.999 0.999 66 66
LYS M 67 0.994 0.984 0.758 0.817 0.929 0.933 67 67
ARG M 68 0.982 0.994 0.613 0.999 0.931 0.941 1.000 68 68
GLY M 69 0.972 0.899 69
GLU M 70 0.900 0.403 0.499 0.489 0.774
SER M 71 0.338 0.534 0.379
LYS M 72 0.511 0.300 0.550 0.999 0.999 0.999
LEU M 73 0.337 0.514 0.646 0.802
GLU M 74 0.383 0.462 0.702 0.931 0.975
HIS M 75 0.181 0.400 0.269 0.225
HIS M 76 0.223 0.343 0.691 0.552
HIS M 77 0.791 0.223 0.428 0.616
HIS M 78 0.409 0.361 0.429 0.427
HIS M 79 0.670 0.371 0.302 0.623
HIS M 80 0.533 0.313 0.542 0.131
MET M 91 0.334 0.118 0.686 0.508 0.340
SER M 92 0.268 0.114 0.324
GLU M 93 0.393 0.803 0.574 0.850 0.905
LEU M 94 0.271 0.438 0.684 0.704
PHE M 95 0.641 0.743 0.469 0.744
SER M 96 0.502 0.770 0.772
VAL M 97 0.993 0.998 1.000 97 97
PRO M 98 0.998 0.993 0.969 0.935 98 98
TYR M 99 0.974 0.971 0.518 0.940 99 99
PHE M 100 0.964 0.993 0.866 0.344 100 100
ILE M 101 0.992 0.992 0.897 0.612 101 101
GLU M 102 0.997 0.993 0.675 0.416 0.901 102 102
ASN M 103 0.998 0.996 1.000 0.997 103 103
LEU M 104 0.985 0.984 0.998 0.998 104 104
LYS M 105 0.999 0.985 0.649 1.000 0.999 0.999 105 105
GLN M 106 0.994 0.983 0.935 0.930 0.982 106 106
HIS M 107 0.932 0.981 0.919 0.329 107 107
ILE M 108 0.960 0.991 0.999 0.999 108 108
GLU M 109 0.991 0.990 0.712 0.644 0.961 109 109
MET M 110 0.969 0.537 0.865 0.527 0.299
ASN M 111 0.632 0.912 0.696 0.682
GLN M 112 0.932 0.757 0.696 0.336 0.725
SER M 113 0.657 0.897 0.365
GLU M 114 0.967 0.839 0.319 0.357 0.840 114
ASP M 115 0.915 0.974 0.944 0.906 115 115
LYS M 116 0.963 0.914 0.709 0.932 0.803 0.867 116 116
ILE M 117 0.957 0.974 0.238 0.339 117 117
HIS M 118 0.960 0.948 0.731 0.671 118 118
ALA M 119 0.996 0.992 119 119
MET M 120 0.993 0.990 0.665 0.494 0.330 120 120
ASN M 121 0.993 0.988 0.999 0.997 121 121
SER M 122 0.966 0.992 0.552 122 122
TYR M 123 0.987 0.988 0.997 0.974 123 123
TYR M 124 1.000 0.997 0.994 0.994 124 124
ARG M 125 0.994 0.991 0.591 0.618 0.286 0.780 1.000 125 125
SER M 126 0.992 0.995 0.507 126 126
VAL M 127 0.992 0.996 1.000 127 127
VAL M 128 0.998 0.996 0.942 128 128
SER M 129 0.986 0.985 0.383 129 129
THR M 130 0.974 0.987 0.924 130 130
LEU M 131 0.998 0.993 0.872 0.867 131 131
VAL M 132 0.969 0.940 0.419 132 132
GLN M 133 0.959 0.883 0.927 0.554 0.776 133
ASP M 134 0.814 0.065 0.778 0.896
GLN M 135 0.164 0.477 0.805 0.394 0.667
LEU M 136 0.367 0.964 0.695 0.743
THR M 137 0.907 0.977 0.514 137 137
LYS M 138 0.972 0.979 0.874 0.998 0.999 0.999 138 138
ASN M 139 0.997 0.997 0.922 0.980 139 139
ALA M 140 0.997 0.998 140 140
VAL M 141 0.999 0.999 1.000 141 141
VAL M 142 0.999 0.998 1.000 142 142
LEU M 143 0.998 0.997 0.635 0.602 143 143
LYS M 144 0.996 0.999 0.664 0.934 0.996 0.624 144 144
ARG M 145 0.998 0.996 0.999 0.923 0.928 0.940 1.000 145 145
ILE M 146 0.999 0.998 1.000 1.000 146 146
GLN M 147 0.998 0.998 0.667 0.689 0.882 147 147
HIS M 148 0.994 0.996 0.999 0.380 148 148
LEU M 149 0.998 0.998 0.606 0.628 149 149
ASP M 150 0.997 0.995 0.844 0.822 150 150
GLU M 151 0.999 0.992 0.933 0.591 0.845 151 151
ALA M 152 0.999 0.997 152 152
TYR M 153 0.999 0.997 0.996 0.964 153 153
ASN M 154 0.999 0.998 1.000 1.000 154 154
LYS M 155 0.996 0.994 0.769 0.735 0.998 0.934 155 155
VAL M 156 0.996 0.999 0.999 156 156
LYS M 157 0.994 0.984 0.758 0.817 0.929 0.933 157 157
ARG M 158 0.982 0.994 0.613 0.999 0.931 0.941 1.000 158 158
GLY M 159 0.972 0.899 159
GLU M 160 0.900 0.403 0.498 0.489 0.774
SER M 161 0.338 0.534 0.379
LYS M 162 0.511 0.300 0.550 0.999 0.999 0.999
LEU M 163 0.336 0.514 0.646 0.801
GLU M 164 0.383 0.462 0.702 0.931 0.975
HIS M 165 0.181 0.401 0.268 0.225
HIS M 166 0.223 0.343 0.691 0.553
HIS M 167 0.791 0.224 0.428 0.616
HIS M 168 0.409 0.361 0.429 0.427
HIS M 169 0.670 0.371 0.303 0.623
HIS M 170 0.533 0.542 0.131
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 `SR478_R3_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. M[7..19],M[25..42],M[47..68],M[97..109],M[115..132],M[137..158],for model 1 is: 2.329
> Kabsch RMSD of backbone atoms in res. M[7..19],M[25..42],M[47..68],M[97..109],M[115..132],M[137..158],for model 2 is: 2.217
> Kabsch RMSD of backbone atoms in res. M[7..19],M[25..42],M[47..68],M[97..109],M[115..132],M[137..158],for model 3 is: 8.810
> Kabsch RMSD of backbone atoms in res. M[7..19],M[25..42],M[47..68],M[97..109],M[115..132],M[137..158],for model 4 is: 5.133
> Kabsch RMSD of backbone atoms in res. M[7..19],M[25..42],M[47..68],M[97..109],M[115..132],M[137..158],for model 5 is: 4.555
> Kabsch RMSD of backbone atoms in res. M[7..19],M[25..42],M[47..68],M[97..109],M[115..132],M[137..158],for model 6 is: 7.463
> Kabsch RMSD of backbone atoms in res. M[7..19],M[25..42],M[47..68],M[97..109],M[115..132],M[137..158],for model 7 is: 2.570
> Kabsch RMSD of backbone atoms in res. M[7..19],M[25..42],M[47..68],M[97..109],M[115..132],M[137..158],for model 8 is: 2.355
> Kabsch RMSD of backbone atoms in res. M[7..19],M[25..42],M[47..68],M[97..109],M[115..132],M[137..158],for model 9 is: 2.538
> Kabsch RMSD of backbone atoms in res. M[7..19],M[25..42],M[47..68],M[97..109],M[115..132],M[137..158],for model 10 is: 2.788
> Kabsch RMSD of backbone atoms in res. M[7..19],M[25..42],M[47..68],M[97..109],M[115..132],M[137..158],for model 11 is: 2.162 (*)
> Kabsch RMSD of backbone atoms in res. M[7..19],M[25..42],M[47..68],M[97..109],M[115..132],M[137..158],for model 12 is: 9.904
> Kabsch RMSD of backbone atoms in res. M[7..19],M[25..42],M[47..68],M[97..109],M[115..132],M[137..158],for model 13 is: 2.558
> Kabsch RMSD of backbone atoms in res. M[7..19],M[25..42],M[47..68],M[97..109],M[115..132],M[137..158],for model 14 is: 2.180
> Kabsch RMSD of backbone atoms in res. M[7..19],M[25..42],M[47..68],M[97..109],M[115..132],M[137..158],for model 15 is: 2.310
> Kabsch RMSD of backbone atoms in res. M[7..19],M[25..42],M[47..68],M[97..109],M[115..132],M[137..158],for model 16 is: 2.287
> Kabsch RMSD of backbone atoms in res. M[7..19],M[25..42],M[47..68],M[97..109],M[115..132],M[137..158],for model 17 is: 2.476
> Kabsch RMSD of backbone atoms in res. M[7..19],M[25..42],M[47..68],M[97..109],M[115..132],M[137..158],for model 18 is: 2.618
> Kabsch RMSD of backbone atoms in res. M[7..19],M[25..42],M[47..68],M[97..109],M[115..132],M[137..158],for model 19 is: 5.510
> Kabsch RMSD of backbone atoms in res. M[7..19],M[25..42],M[47..68],M[97..109],M[115..132],M[137..158],for model 20 is: 2.285
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[7..19],[25..42],[47..68],[97..109],[115..132],[137..158], is: 3.752
> Range of RMSD values to reference struct. is 2.162 to 9.904
> Kabsch RMSD of heavy atoms in res. M[7..19],M[25..42],M[47..68],M[97..109],M[115..132],M[137..158],for model 1 is: 2.502
> Kabsch RMSD of heavy atoms in res. M[7..19],M[25..42],M[47..68],M[97..109],M[115..132],M[137..158],for model 2 is: 2.481
> Kabsch RMSD of heavy atoms in res. M[7..19],M[25..42],M[47..68],M[97..109],M[115..132],M[137..158],for model 3 is: 9.020
> Kabsch RMSD of heavy atoms in res. M[7..19],M[25..42],M[47..68],M[97..109],M[115..132],M[137..158],for model 4 is: 5.667
> Kabsch RMSD of heavy atoms in res. M[7..19],M[25..42],M[47..68],M[97..109],M[115..132],M[137..158],for model 5 is: 5.112
> Kabsch RMSD of heavy atoms in res. M[7..19],M[25..42],M[47..68],M[97..109],M[115..132],M[137..158],for model 6 is: 7.542
> Kabsch RMSD of heavy atoms in res. M[7..19],M[25..42],M[47..68],M[97..109],M[115..132],M[137..158],for model 7 is: 2.697
> Kabsch RMSD of heavy atoms in res. M[7..19],M[25..42],M[47..68],M[97..109],M[115..132],M[137..158],for model 8 is: 2.572
> Kabsch RMSD of heavy atoms in res. M[7..19],M[25..42],M[47..68],M[97..109],M[115..132],M[137..158],for model 9 is: 2.811
> Kabsch RMSD of heavy atoms in res. M[7..19],M[25..42],M[47..68],M[97..109],M[115..132],M[137..158],for model 10 is: 3.239
> Kabsch RMSD of heavy atoms in res. M[7..19],M[25..42],M[47..68],M[97..109],M[115..132],M[137..158],for model 11 is: 2.422 (*)
> Kabsch RMSD of heavy atoms in res. M[7..19],M[25..42],M[47..68],M[97..109],M[115..132],M[137..158],for model 12 is: 10.024
> Kabsch RMSD of heavy atoms in res. M[7..19],M[25..42],M[47..68],M[97..109],M[115..132],M[137..158],for model 13 is: 2.799
> Kabsch RMSD of heavy atoms in res. M[7..19],M[25..42],M[47..68],M[97..109],M[115..132],M[137..158],for model 14 is: 2.458
> Kabsch RMSD of heavy atoms in res. M[7..19],M[25..42],M[47..68],M[97..109],M[115..132],M[137..158],for model 15 is: 2.689
> Kabsch RMSD of heavy atoms in res. M[7..19],M[25..42],M[47..68],M[97..109],M[115..132],M[137..158],for model 16 is: 2.582
> Kabsch RMSD of heavy atoms in res. M[7..19],M[25..42],M[47..68],M[97..109],M[115..132],M[137..158],for model 17 is: 2.603
> Kabsch RMSD of heavy atoms in res. M[7..19],M[25..42],M[47..68],M[97..109],M[115..132],M[137..158],for model 18 is: 2.912
> Kabsch RMSD of heavy atoms in res. M[7..19],M[25..42],M[47..68],M[97..109],M[115..132],M[137..158],for model 19 is: 5.691
> Kabsch RMSD of heavy atoms in res. M[7..19],M[25..42],M[47..68],M[97..109],M[115..132],M[137..158],for model 20 is: 2.558
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[7..19],[25..42],[47..68],[97..109],[115..132],[137..158], is: 4.019
> Range of RMSD values to reference struct. is 2.422 to 10.024
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..170],for model 1 is: 4.430
> Kabsch RMSD of backb atoms in res. *[1..170],for model 2 is: 3.604
> Kabsch RMSD of backb atoms in res. *[1..170],for model 3 is: 9.651
> Kabsch RMSD of backb atoms in res. *[1..170],for model 4 is: 6.642
> Kabsch RMSD of backb atoms in res. *[1..170],for model 5 is: 6.152
> Kabsch RMSD of backb atoms in res. *[1..170],for model 6 is: 7.975
> Kabsch RMSD of backb atoms in res. *[1..170],for model 7 is: 6.815
> Kabsch RMSD of backb atoms in res. *[1..170],for model 8 is: 8.359
> Kabsch RMSD of backb atoms in res. *[1..170],for model 9 is: 4.167
> Kabsch RMSD of backb atoms in res. *[1..170],for model 10 is: 3.844
> Kabsch RMSD of backb atoms in res. *[1..170],for model 11 is: 4.172
> Kabsch RMSD of backb atoms in res. *[1..170],for model 12 is: 10.463
> Kabsch RMSD of backb atoms in res. *[1..170],for model 13 is: 5.244
> Kabsch RMSD of backb atoms in res. *[1..170],for model 14 is: 3.311 (*)
> Kabsch RMSD of backb atoms in res. *[1..170],for model 15 is: 4.362
> Kabsch RMSD of backb atoms in res. *[1..170],for model 16 is: 4.058
> Kabsch RMSD of backb atoms in res. *[1..170],for model 17 is: 3.905
> Kabsch RMSD of backb atoms in res. *[1..170],for model 18 is: 4.218
> Kabsch RMSD of backb atoms in res. *[1..170],for model 19 is: 6.892
> Kabsch RMSD of backb atoms in res. *[1..170],for model 20 is: 3.713
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..170], is: 5.599
> Range of RMSD values to reference struct. is 3.311 to 10.463
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 1 is: 4.896
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 2 is: 4.142
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 3 is: 9.876
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 4 is: 7.251
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 5 is: 6.749
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 6 is: 8.144
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 7 is: 7.420
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 8 is: 9.212
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 9 is: 4.602
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 10 is: 4.452
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 11 is: 4.906
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 12 is: 10.847
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 13 is: 5.825
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 14 is: 3.994 (*)
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 15 is: 4.948
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 16 is: 4.832
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 17 is: 4.267
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 18 is: 4.719
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 19 is: 7.280
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 20 is: 4.387
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..170], is: 6.137
> Range of RMSD values to reference struct. is 3.994 to 10.847
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 5.6 3.8 3.8
All heavy atoms 6.1 4.1 4.1
Contact Map (constraints list and 3D Coordinates)
JPEG image of Contact Map for Constraints
JPEG image of Contact Map for Coordinates
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 >>>----------+
| |
| SR478_R3_em_bcr3_020.rin 0.0 2240 residues |
| |
*| Ramachandran plot: 92.3% core 6.1% allow 1.4% gener 0.1% disall |
| |
+| All Ramachandrans: 41 labelled residues (out of2240) |
+| Chi1-chi2 plots: 8 labelled residues (out of1560) |
JPEG image for all model Ramachandran Plot
Residue Properties for all models
JPEG for all model Residue Properties - page $num_n
JPEG for all model Residue Properties - page $num_n
Model Secondary Structures from Procheck
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
Ramachandran Plots for each residue
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
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
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
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
7 0.30
8 0.16
9 0.50
10 0.40
11 0.56
12 0.85
13 0.93
14 0.65
15 0.82
16 0.51
17 -0.19
18 -0.60
19 0.47
20 -1.46
24 -2.66
25 -1.04
26 -0.19
27 -1.65
28 -0.01
29 0.67
30 0.56
31 0.84
32 -0.24
33 0.62
34 0.67
35 0.82
36 0.90
37 0.46
38 0.82
39 0.81
40 0.69
41 0.72
42 -1.04
47 -0.27
48 -1.53
49 1.12
50 0.77
51 0.92
52 0.93
53 0.94
54 1.08
55 0.94
56 0.46
57 0.97
58 0.83
59 0.96
60 1.12
61 0.73
62 0.81
63 1.11
64 1.11
65 0.91
66 0.63
67 0.75
68 0.58
69 0.18
97 0.28
98 0.16
99 0.50
100 0.40
101 0.56
102 0.85
103 0.93
104 0.65
105 0.81
106 0.55
107 -0.15
108 -0.60
109 0.47
112 -1.43
113 -2.46
114 -2.66
115 -1.04
116 -0.22
117 -1.65
118 -0.01
119 0.67
120 0.56
121 0.82
122 -0.24
123 0.62
124 0.67
125 0.82
126 0.90
127 0.46
128 0.85
129 0.81
130 0.69
131 0.72
132 -1.04
137 -0.27
138 -1.55
139 1.12
140 0.76
141 0.92
142 0.93
143 0.94
144 1.08
145 0.93
146 0.46
147 0.97
148 0.82
149 0.96
150 1.12
151 0.73
152 0.81
153 1.11
154 1.11
155 0.91
156 0.63
157 0.75
158 0.58
#Reported_Model_Average 0.364
#Overall_Average_Reported 0.364
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
7 0.51
8 0.16
9 0.46
10 0.12
11 0.54
12 0.68
13 1.02
14 0.63
15 0.94
16 0.83
17 0.20
18 0.14
19 0.67
20 -0.28
24 -1.43
25 -0.91
26 0.44
27 -0.84
28 0.25
29 0.67
30 0.58
31 0.97
32 -0.01
33 0.46
34 0.23
35 0.35
36 0.58
37 0.63
38 0.71
39 0.66
40 0.60
41 0.75
42 -0.57
47 0.08
48 -0.34
49 1.10
50 0.77
51 0.82
52 0.82
53 0.75
54 0.98
55 0.90
56 0.68
57 0.86
58 0.61
59 0.71
60 0.85
61 0.85
62 0.81
63 0.53
64 1.12
65 0.90
66 0.66
67 0.70
68 0.74
69 0.18
97 0.50
98 0.16
99 0.46
100 0.12
101 0.54
102 0.68
103 1.02
104 0.63
105 0.94
106 0.85
107 0.22
108 0.14
109 0.67
112 -0.39
113 -0.96
114 -1.43
115 -0.91
116 0.43
117 -0.84
118 0.25
119 0.67
120 0.58
121 0.96
122 0.01
123 0.46
124 0.23
125 0.35
126 0.67
127 0.61
128 0.73
129 0.71
130 0.65
131 0.75
132 -0.58
137 0.07
138 -0.35
139 1.10
140 0.76
141 0.85
142 0.81
143 0.75
144 0.98
145 0.90
146 0.68
147 0.86
148 0.62
149 0.71
150 0.85
151 0.85
152 0.81
153 0.53
154 1.12
155 0.90
156 0.67
157 0.70
158 0.74
#Reported_Model_Average 0.470
#Overall_Average_Reported 0.470
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
7 -0.09 -0.09 -0.09 -0.40 0.66 -0.09 0.66 -0.09 -0.40 -0.40 0.66 -0.09 -0.09 0.66 -0.09 -0.09 -0.09 -0.09 -0.09 0.66
8 0.44 0.25 0.44 0.44 0.44 0.25 0.44 0.44 0.25 0.44 0.25 0.25 0.44 0.25 0.25 0.44 0.44 0.44 0.25 0.44
9 1.25 1.25 -0.43 1.25 1.25 1.25 -0.43 1.25 -0.43 -0.43 1.25 1.25 -0.43 1.25 -0.43 1.25 -1.40 -0.43 1.25 -1.40
10 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.04 1.40 1.04 1.40 1.40 1.04 1.40 1.40 1.40 1.40 1.40 1.40
11 0.81 -0.28 0.81 0.81 0.81 0.81 -0.54 -0.28 0.81 0.81 0.81 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 0.81 0.81 0.81
12 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.28
13 -0.26 0.51 0.51 -0.26 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
14 1.06 1.06 1.06 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
15 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 0.47 0.47 0.47 0.47 0.47
16 0.25 0.25 0.25 -0.03 0.25 0.25 0.25 0.25 -0.03 -0.03 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
17 0.54 0.54 0.20 0.54 1.04 -1.21 -1.21 0.54 1.04 0.54 1.04 1.04 0.54 1.04 1.04 0.20 1.04 0.54 1.04 1.04
18 0.81 0.81 0.81 -0.54 0.81 0.81 0.81 0.81 0.81 -0.94 0.81 -0.28 -0.54 0.81 0.93 0.81 -0.54 0.81 0.81 -0.54
19 0.28 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28 0.04 0.28
20 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -1.30 -0.83
24 0.28 0.28 -0.46 -1.13 0.28 -0.46 -0.46 0.28 -0.46 -0.46 0.28 -0.46 -0.46 -0.46 -0.46 0.28 -0.46 -0.46 -0.46 0.28
25 0.51 0.51 0.51 0.51 0.51 0.34 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.34 0.51 0.34 0.51 0.51 0.34 0.51
26 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.47 -0.10 0.47 0.47
27 -0.94 -0.94 -0.94 0.81 0.81 0.81 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.54 0.93 -0.54 0.81 -0.54 -0.94
28 1.04 0.20 0.54 1.04 0.20 1.04 1.04 1.04 0.20 0.20 0.20 1.04 0.20 1.04 1.04 1.04 0.54 1.04 1.04 0.20
29 0.49 0.49 0.49 0.49 0.49 0.49 0.49 -0.25 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
30 1.00 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 1.00 1.00 0.91
31 0.51 -0.26 0.51 0.51 0.51 0.51 0.09 0.09 0.51 0.51 0.51 0.51 0.51 0.51 0.51 -0.56 0.09 -0.26 0.51 0.51
32 0.17 0.17 0.17 0.17 0.34 0.17 0.17 0.17 0.17 0.17 0.17 0.59 0.17 0.59 0.34 0.17 0.17 0.17 0.17 0.17
33 1.25 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 0.52 1.14 1.14 1.14 1.14 1.25 1.14 0.52 1.14 1.14 1.14
34 1.14 1.14 1.14 1.25 1.14 1.14 1.14 0.52 1.14 0.52 1.14 1.14 0.52 0.52 1.14 0.52 1.14 0.52 1.14 1.14
35 0.71 0.71 0.71 -0.41 0.24 0.24 0.71 0.71 0.71 0.71 0.71 0.24 0.71 -0.44 0.71 0.71 0.71 0.71 0.71 -0.44
36 0.34 0.17 0.17 0.34 0.34 0.34 0.34 0.34 0.34 0.17 0.34 0.17 0.34 0.34 0.34 0.17 0.17 0.17 0.17 0.34
37 1.00 1.00 -0.09 1.00 1.00 1.00 1.00 1.00 -0.09 -0.09 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -0.09 1.00 1.00
38 1.00 1.00 -0.09 -0.09 1.00 -0.09 1.00 1.00 0.66 1.00 1.00 -0.09 1.00 1.00 0.66 1.00 1.00 1.00 -0.09 1.00
39 0.17 0.17 0.59 0.34 0.59 0.34 0.17 0.17 0.34 0.17 0.17 0.34 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17
40 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.55 0.55
41 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77 0.77 1.06 1.06 1.06
42 0.66 1.00 -0.09 -0.74 1.00 -0.74 0.66 -0.40 -0.09 0.66 0.66 -0.09 0.66 0.66 -0.09 -0.09 0.66 0.66 -0.74 0.66
47 0.08 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
48 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 0.47
49 -0.26 0.51 0.41 0.41 0.51 0.41 0.51 -0.26 -0.26 0.51 0.51 0.41 -0.26 -0.26 0.51 -0.26 -0.26 -0.26 0.41 -0.26
50 0.14 0.14 0.14 0.49 0.14 0.14 -0.25 0.49 0.49 -0.25 -0.25 0.14 -0.25 0.49 0.49 -0.25 -0.25 -0.25 0.14 0.49
51 -0.74 -0.09 -0.09 -0.74 -0.74 -0.74 -0.74 -0.09 -0.09 -0.74 -0.74 -0.74 -0.74 -0.09 -0.74 -0.09 -0.74 -0.09 -0.09 -0.74
52 1.00 1.00 0.66 0.66 1.00 -0.09 1.00 -0.09 1.00 1.00 1.00 0.66 1.00 0.66 0.66 1.00 0.66 0.66 0.66 1.00
53 1.06 0.77 -1.14 0.77 0.77 -1.14 0.77 0.77 1.06 0.77 0.77 -1.14 0.77 0.77 1.06 1.06 0.77 1.06 -1.14 1.06
54 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 0.47 0.47 0.47 0.47 0.47
55 0.71 0.71 -0.44 -0.44 -0.44 0.71 -0.44 0.71 -2.35 -0.44 -0.44 0.71 0.71 -0.44 -0.44 0.71 0.71 -0.44 0.71 0.71
56 0.93 0.93 0.81 0.93 0.93 0.81 0.93 0.93 0.93 0.93 0.93 0.81 0.93 0.93 0.93 0.93 0.93 0.93 -0.54 0.93
57 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 -0.57 0.25 0.25 0.25 -0.57 -0.57 -0.57 0.25 -0.57 -0.57 0.25 0.25
58 1.04 1.04 0.54 1.04 1.04 0.54 1.04 0.54 1.04 1.04 0.54 1.04 1.04 1.04 0.20 -1.21 -1.21 1.04 1.04 1.04
59 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
60 0.51 0.34 0.51 0.51 0.51 0.51 0.34 0.34 0.34 -0.83 0.34 0.51 0.34 0.34 0.34 0.34 0.34 0.51 0.51 0.34
61 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 0.28
62 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
63 1.25 1.25 1.25 1.25 1.25 1.25 1.25 1.25 1.14 1.14 1.25 1.25 1.25 1.14 1.14 1.14 1.14 1.25 1.25 1.25
64 0.51 0.51 0.51 0.51 0.51 0.41 0.41 0.51 0.41 0.41 0.51 0.41 0.41 0.51 0.51 0.41 0.51 0.51 0.41 0.51
65 0.47 0.47 -0.72 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
66 -0.09 -0.09 1.00 1.00 1.00 -0.09 1.00 0.66 -0.09 -0.09 0.66 0.66 1.00 1.00 1.00 1.00 0.66 -0.09 1.00 -0.09
67 0.47 0.47 0.08 -2.12 0.47 0.08 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.47 0.08 0.47 0.08 0.47 0.47 0.47
68 0.24 -0.41 -0.41 0.24 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 0.24 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41
69 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
97 -0.09 -0.09 -0.09 -0.40 0.66 -0.09 -0.09 -0.09 -0.40 -0.40 0.66 -0.09 -0.09 0.66 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09
98 0.25 0.25 0.44 0.44 0.25 0.25 0.25 0.25 0.25 0.44 0.25 0.25 0.44 0.25 0.25 0.44 0.25 0.44 0.25 0.44
99 1.25 1.25 -0.43 1.25 1.25 1.25 -0.43 1.25 1.25 -0.43 1.25 1.25 -0.43 1.25 -0.43 1.25 -1.40 -0.43 1.25 -0.43
100 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.04 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40
101 0.81 -0.28 0.81 0.81 0.81 0.81 -0.54 -0.28 0.81 -0.28 -0.28 -0.28 -0.54 -0.28 -0.28 -0.28 -0.28 0.81 0.81 0.81
102 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.04 0.28 0.28 0.04 0.28 0.28 0.28
103 0.51 0.51 -0.26 0.51 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
104 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
105 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
106 0.25 0.25 0.25 -0.03 0.25 0.25 0.25 0.25 -0.03 -0.03 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
107 0.54 0.54 1.04 0.54 1.04 -1.21 -1.21 0.54 1.04 0.54 1.04 1.04 0.54 1.04 1.04 0.20 0.54 0.54 1.04 1.04
108 0.81 -0.54 0.81 -0.54 -0.54 0.81 0.81 0.81 0.81 -0.94 0.81 -0.28 -0.54 0.81 0.81 0.81 0.81 0.81 0.81 -0.54
109 0.28 0.28 0.28 0.04 0.28 0.28 0.28 -0.59 0.04 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28
112 0.25 0.25 -0.03 -0.03 0.25 -0.03 -0.03 -0.03 0.25 0.25 0.25 0.25 -0.03 -0.03 0.25 0.25 -0.03 0.25 -0.03 -0.03
113 0.34 0.34 0.34 0.34 0.34 0.17 0.34 0.34 0.17 0.59 0.34 0.34 0.34 0.17 0.17 0.17 0.34 0.34 0.34 0.34
114 -0.59 0.28 -0.46 -1.13 0.28 -0.46 -0.46 0.28 -0.46 -1.13 0.28 -1.13 -0.46 -0.46 -0.46 0.28 -0.46 -0.46 -0.46 0.28
115 0.51 0.51 0.51 0.51 0.51 0.34 0.51 0.51 0.51 0.34 0.34 0.51 0.51 0.34 0.51 0.34 0.51 0.34 0.34 0.51
116 -0.10 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 0.08 0.47 0.47 0.47 0.47 -0.10 0.47 0.47
117 -0.94 -0.54 -0.94 0.81 -0.54 0.93 -0.94 -0.28 -0.94 -0.94 -0.94 -0.94 -0.94 -0.54 -0.94 0.93 0.81 0.81 -0.54 -0.94
118 1.04 0.20 1.04 1.04 0.20 1.04 1.04 1.04 0.20 0.20 0.20 1.04 0.20 0.54 1.04 0.54 0.54 1.04 1.04 0.20
119 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
120 1.00 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 1.00 1.00 0.91
121 0.51 -0.26 0.51 0.51 -0.26 0.51 0.09 0.09 -0.26 0.51 0.51 0.51 0.51 -0.26 0.51 -0.56 0.09 -0.26 0.51 0.51
122 0.17 0.17 0.17 0.17 0.34 0.17 0.17 0.17 0.17 0.17 0.34 0.59 0.17 0.17 0.34 0.17 0.17 0.17 0.17 0.17
123 1.25 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.25 1.14 1.25 1.14 1.14 1.14 1.14 1.14
124 1.14 0.52 1.14 1.25 1.25 1.14 1.14 0.52 1.14 0.52 0.52 1.14 0.52 0.52 1.14 0.52 1.14 0.52 1.14 0.52
125 0.71 0.71 0.71 -0.41 0.24 -0.41 0.71 0.71 0.71 0.71 0.71 0.24 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71
126 0.34 0.17 0.17 0.34 0.34 0.34 0.34 0.34 0.34 0.17 0.34 0.59 0.17 0.34 0.34 0.17 0.17 0.17 0.17 0.34
127 1.00 1.00 -0.09 -0.09 1.00 1.00 1.00 1.00 -0.09 -0.09 1.00 1.00 1.00 1.00 -0.09 1.00 1.00 -0.09 1.00 1.00
128 1.00 1.00 -0.09 -0.09 1.00 -0.09 1.00 1.00 -0.40 1.00 1.00 -0.09 1.00 1.00 0.66 1.00 1.00 1.00 -0.09 1.00
129 0.17 0.17 0.59 0.34 0.59 0.34 0.17 0.17 0.34 0.17 0.17 0.34 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17
130 0.08 0.08 0.55 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.55 0.55
131 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77 1.06 0.77 1.06 1.06 0.77 0.77 1.06 1.06 1.06
132 0.66 0.66 -0.09 -0.74 1.00 -0.74 0.66 -0.40 -0.09 0.66 0.66 -0.09 -0.40 -0.40 -0.09 -0.09 0.66 1.00 -0.74 0.66
137 0.08 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
138 0.47 -0.10 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 0.47 0.47 0.47
139 -0.26 0.51 0.41 0.41 0.51 0.41 0.51 0.51 -0.26 0.51 0.51 0.41 -0.26 0.51 0.51 0.51 -0.26 -0.26 0.41 -0.26
140 0.14 0.14 0.14 0.49 -0.25 0.14 -0.25 0.49 0.49 -0.25 0.49 0.14 -0.25 0.49 0.49 0.49 -0.25 0.49 0.49 0.49
141 -0.74 -0.09 -0.09 -0.74 -0.74 -0.74 -0.74 -0.09 -0.74 -0.74 -0.74 -0.09 -0.74 -0.09 -0.74 -0.09 -0.74 -0.09 -0.09 -0.74
142 0.66 1.00 0.66 -0.09 1.00 0.66 0.66 -0.09 1.00 0.66 0.66 1.00 0.66 0.66 0.66 1.00 0.66 -0.40 0.66 1.00
143 1.06 0.77 -1.14 0.77 0.77 -0.68 1.06 0.77 1.06 0.77 0.77 -0.68 0.77 0.77 1.06 0.77 1.06 1.06 -1.14 1.06
144 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 0.47 0.47 0.47 0.47 0.47
145 0.71 0.71 -0.44 -0.44 0.71 0.71 -0.44 0.71 -0.44 0.71 -0.44 -0.44 0.71 -0.44 0.71 0.71 0.71 -0.44 -0.44 0.71
146 0.93 0.93 0.81 0.81 0.93 0.81 0.93 0.93 0.93 0.93 0.93 0.81 0.93 0.93 0.93 0.93 0.93 0.93 0.81 0.93
147 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 -0.57 0.25 0.25 0.25 -0.57 -0.57 -0.57 0.25 -0.57 -0.57 0.25 0.25
148 1.04 1.04 0.54 1.04 1.04 0.54 1.04 0.54 1.04 1.04 0.54 1.04 1.04 1.04 0.20 1.04 0.20 1.04 1.04 1.04
149 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
150 0.51 0.34 0.51 0.51 0.51 0.51 0.34 0.51 0.34 0.34 0.34 0.51 0.51 0.51 0.51 0.34 0.34 0.51 0.51 0.34
151 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 0.28
152 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
153 1.25 1.25 1.25 1.25 1.25 1.25 1.25 1.25 1.25 1.14 1.25 1.25 1.25 1.14 1.14 1.14 1.14 1.25 1.25 1.25
154 0.51 0.51 0.51 0.51 0.41 0.41 0.41 0.51 0.41 0.41 0.51 0.51 0.41 0.51 0.51 0.41 0.51 0.51 0.51 0.51
155 0.47 0.47 0.47 0.47 0.47 0.47 -0.72 0.47 0.47 0.47 0.47 0.47 -0.72 0.47 0.47 0.47 0.47 0.47 0.47 0.47
156 -0.09 1.00 1.00 1.00 1.00 1.00 1.00 0.66 1.00 -0.09 1.00 -0.09 1.00 1.00 1.00 1.00 1.00 -0.09 1.00 -0.09
157 0.47 0.47 0.08 -2.12 0.47 0.08 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.47 0.08 0.47 0.08 0.08 0.47 0.47
158 -0.41 -0.41 0.24 0.24 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 0.24 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 0.24 -0.41
#Reported_Model_Average 0.500 0.476 0.374 0.365 0.543 0.391 0.372 0.447 0.369 0.325 0.499 0.389 0.352 0.447 0.418 0.471 0.352 0.406 0.445 0.447
#Overall_Average_Reported 0.419
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
7 -0.09 -0.09 -0.09 -0.40 0.66 -0.09 0.66 -0.09 -0.40 -0.40 0.66 -0.09 -0.09 0.66 -0.09 -0.09 -0.09 -0.09 -0.09 0.66
8 0.44 0.25 0.44 0.44 0.44 0.25 0.44 0.44 0.25 0.44 0.25 0.25 0.44 0.25 0.25 0.44 0.44 0.44 0.25 0.44
9 1.25 1.25 -0.43 1.25 1.25 1.25 -0.43 1.25 -0.43 -0.43 1.25 1.25 -0.43 1.25 -0.43 1.25 -1.40 -0.43 1.25 -1.40
10 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.04 1.40 1.04 1.40 1.40 1.04 1.40 1.40 1.40 1.40 1.40 1.40
11 0.81 -0.28 0.81 0.81 0.81 0.81 -0.54 -0.28 0.81 0.81 0.81 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 0.81 0.81 0.81
12 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.28
13 -0.26 0.51 0.51 -0.26 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
14 1.06 1.06 1.06 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
15 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 0.47 0.47 0.47 0.47 0.47
16 0.25 0.25 0.25 -0.03 0.25 0.25 0.25 0.25 -0.03 -0.03 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
17 0.54 0.54 0.20 0.54 1.04 -1.21 -1.21 0.54 1.04 0.54 1.04 1.04 0.54 1.04 1.04 0.20 1.04 0.54 1.04 1.04
18 0.81 0.81 0.81 -0.54 0.81 0.81 0.81 0.81 0.81 -0.94 0.81 -0.28 -0.54 0.81 0.93 0.81 -0.54 0.81 0.81 -0.54
19 0.28 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28 0.04 0.28
20 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -1.30 -0.83
24 0.28 0.28 -0.46 -1.13 0.28 -0.46 -0.46 0.28 -0.46 -0.46 0.28 -0.46 -0.46 -0.46 -0.46 0.28 -0.46 -0.46 -0.46 0.28
25 0.51 0.51 0.51 0.51 0.51 0.34 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.34 0.51 0.34 0.51 0.51 0.34 0.51
26 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.47 -0.10 0.47 0.47
27 -0.94 -0.94 -0.94 0.81 0.81 0.81 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.54 0.93 -0.54 0.81 -0.54 -0.94
28 1.04 0.20 0.54 1.04 0.20 1.04 1.04 1.04 0.20 0.20 0.20 1.04 0.20 1.04 1.04 1.04 0.54 1.04 1.04 0.20
29 0.49 0.49 0.49 0.49 0.49 0.49 0.49 -0.25 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
30 1.00 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 1.00 1.00 0.91
31 0.51 -0.26 0.51 0.51 0.51 0.51 0.09 0.09 0.51 0.51 0.51 0.51 0.51 0.51 0.51 -0.56 0.09 -0.26 0.51 0.51
32 0.17 0.17 0.17 0.17 0.34 0.17 0.17 0.17 0.17 0.17 0.17 0.59 0.17 0.59 0.34 0.17 0.17 0.17 0.17 0.17
33 1.25 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 0.52 1.14 1.14 1.14 1.14 1.25 1.14 0.52 1.14 1.14 1.14
34 1.14 1.14 1.14 1.25 1.14 1.14 1.14 0.52 1.14 0.52 1.14 1.14 0.52 0.52 1.14 0.52 1.14 0.52 1.14 1.14
35 0.71 0.71 0.71 -0.41 0.24 0.24 0.71 0.71 0.71 0.71 0.71 0.24 0.71 -0.44 0.71 0.71 0.71 0.71 0.71 -0.44
36 0.34 0.17 0.17 0.34 0.34 0.34 0.34 0.34 0.34 0.17 0.34 0.17 0.34 0.34 0.34 0.17 0.17 0.17 0.17 0.34
37 1.00 1.00 -0.09 1.00 1.00 1.00 1.00 1.00 -0.09 -0.09 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -0.09 1.00 1.00
38 1.00 1.00 -0.09 -0.09 1.00 -0.09 1.00 1.00 0.66 1.00 1.00 -0.09 1.00 1.00 0.66 1.00 1.00 1.00 -0.09 1.00
39 0.17 0.17 0.59 0.34 0.59 0.34 0.17 0.17 0.34 0.17 0.17 0.34 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17
40 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.55 0.55
41 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77 0.77 1.06 1.06 1.06
42 0.66 1.00 -0.09 -0.74 1.00 -0.74 0.66 -0.40 -0.09 0.66 0.66 -0.09 0.66 0.66 -0.09 -0.09 0.66 0.66 -0.74 0.66
47 0.08 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
48 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 0.47
49 -0.26 0.51 0.41 0.41 0.51 0.41 0.51 -0.26 -0.26 0.51 0.51 0.41 -0.26 -0.26 0.51 -0.26 -0.26 -0.26 0.41 -0.26
50 0.14 0.14 0.14 0.49 0.14 0.14 -0.25 0.49 0.49 -0.25 -0.25 0.14 -0.25 0.49 0.49 -0.25 -0.25 -0.25 0.14 0.49
51 -0.74 -0.09 -0.09 -0.74 -0.74 -0.74 -0.74 -0.09 -0.09 -0.74 -0.74 -0.74 -0.74 -0.09 -0.74 -0.09 -0.74 -0.09 -0.09 -0.74
52 1.00 1.00 0.66 0.66 1.00 -0.09 1.00 -0.09 1.00 1.00 1.00 0.66 1.00 0.66 0.66 1.00 0.66 0.66 0.66 1.00
53 1.06 0.77 -1.14 0.77 0.77 -1.14 0.77 0.77 1.06 0.77 0.77 -1.14 0.77 0.77 1.06 1.06 0.77 1.06 -1.14 1.06
54 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 0.47 0.47 0.47 0.47 0.47
55 0.71 0.71 -0.44 -0.44 -0.44 0.71 -0.44 0.71 -2.35 -0.44 -0.44 0.71 0.71 -0.44 -0.44 0.71 0.71 -0.44 0.71 0.71
56 0.93 0.93 0.81 0.93 0.93 0.81 0.93 0.93 0.93 0.93 0.93 0.81 0.93 0.93 0.93 0.93 0.93 0.93 -0.54 0.93
57 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 -0.57 0.25 0.25 0.25 -0.57 -0.57 -0.57 0.25 -0.57 -0.57 0.25 0.25
58 1.04 1.04 0.54 1.04 1.04 0.54 1.04 0.54 1.04 1.04 0.54 1.04 1.04 1.04 0.20 -1.21 -1.21 1.04 1.04 1.04
59 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
60 0.51 0.34 0.51 0.51 0.51 0.51 0.34 0.34 0.34 -0.83 0.34 0.51 0.34 0.34 0.34 0.34 0.34 0.51 0.51 0.34
61 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 0.28
62 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
63 1.25 1.25 1.25 1.25 1.25 1.25 1.25 1.25 1.14 1.14 1.25 1.25 1.25 1.14 1.14 1.14 1.14 1.25 1.25 1.25
64 0.51 0.51 0.51 0.51 0.51 0.41 0.41 0.51 0.41 0.41 0.51 0.41 0.41 0.51 0.51 0.41 0.51 0.51 0.41 0.51
65 0.47 0.47 -0.72 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
66 -0.09 -0.09 1.00 1.00 1.00 -0.09 1.00 0.66 -0.09 -0.09 0.66 0.66 1.00 1.00 1.00 1.00 0.66 -0.09 1.00 -0.09
67 0.47 0.47 0.08 -2.12 0.47 0.08 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.47 0.08 0.47 0.08 0.47 0.47 0.47
68 0.24 -0.41 -0.41 0.24 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 0.24 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41
69 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
97 -0.09 -0.09 -0.09 -0.40 0.66 -0.09 -0.09 -0.09 -0.40 -0.40 0.66 -0.09 -0.09 0.66 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09
98 0.25 0.25 0.44 0.44 0.25 0.25 0.25 0.25 0.25 0.44 0.25 0.25 0.44 0.25 0.25 0.44 0.25 0.44 0.25 0.44
99 1.25 1.25 -0.43 1.25 1.25 1.25 -0.43 1.25 1.25 -0.43 1.25 1.25 -0.43 1.25 -0.43 1.25 -1.40 -0.43 1.25 -0.43
100 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.04 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40
101 0.81 -0.28 0.81 0.81 0.81 0.81 -0.54 -0.28 0.81 -0.28 -0.28 -0.28 -0.54 -0.28 -0.28 -0.28 -0.28 0.81 0.81 0.81
102 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.04 0.28 0.28 0.04 0.28 0.28 0.28
103 0.51 0.51 -0.26 0.51 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
104 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
105 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
106 0.25 0.25 0.25 -0.03 0.25 0.25 0.25 0.25 -0.03 -0.03 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
107 0.54 0.54 1.04 0.54 1.04 -1.21 -1.21 0.54 1.04 0.54 1.04 1.04 0.54 1.04 1.04 0.20 0.54 0.54 1.04 1.04
108 0.81 -0.54 0.81 -0.54 -0.54 0.81 0.81 0.81 0.81 -0.94 0.81 -0.28 -0.54 0.81 0.81 0.81 0.81 0.81 0.81 -0.54
109 0.28 0.28 0.28 0.04 0.28 0.28 0.28 -0.59 0.04 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28
112 0.25 0.25 -0.03 -0.03 0.25 -0.03 -0.03 -0.03 0.25 0.25 0.25 0.25 -0.03 -0.03 0.25 0.25 -0.03 0.25 -0.03 -0.03
113 0.34 0.34 0.34 0.34 0.34 0.17 0.34 0.34 0.17 0.59 0.34 0.34 0.34 0.17 0.17 0.17 0.34 0.34 0.34 0.34
114 -0.59 0.28 -0.46 -1.13 0.28 -0.46 -0.46 0.28 -0.46 -1.13 0.28 -1.13 -0.46 -0.46 -0.46 0.28 -0.46 -0.46 -0.46 0.28
115 0.51 0.51 0.51 0.51 0.51 0.34 0.51 0.51 0.51 0.34 0.34 0.51 0.51 0.34 0.51 0.34 0.51 0.34 0.34 0.51
116 -0.10 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 0.08 0.47 0.47 0.47 0.47 -0.10 0.47 0.47
117 -0.94 -0.54 -0.94 0.81 -0.54 0.93 -0.94 -0.28 -0.94 -0.94 -0.94 -0.94 -0.94 -0.54 -0.94 0.93 0.81 0.81 -0.54 -0.94
118 1.04 0.20 1.04 1.04 0.20 1.04 1.04 1.04 0.20 0.20 0.20 1.04 0.20 0.54 1.04 0.54 0.54 1.04 1.04 0.20
119 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
120 1.00 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 1.00 1.00 0.91
121 0.51 -0.26 0.51 0.51 -0.26 0.51 0.09 0.09 -0.26 0.51 0.51 0.51 0.51 -0.26 0.51 -0.56 0.09 -0.26 0.51 0.51
122 0.17 0.17 0.17 0.17 0.34 0.17 0.17 0.17 0.17 0.17 0.34 0.59 0.17 0.17 0.34 0.17 0.17 0.17 0.17 0.17
123 1.25 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.25 1.14 1.25 1.14 1.14 1.14 1.14 1.14
124 1.14 0.52 1.14 1.25 1.25 1.14 1.14 0.52 1.14 0.52 0.52 1.14 0.52 0.52 1.14 0.52 1.14 0.52 1.14 0.52
125 0.71 0.71 0.71 -0.41 0.24 -0.41 0.71 0.71 0.71 0.71 0.71 0.24 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71
126 0.34 0.17 0.17 0.34 0.34 0.34 0.34 0.34 0.34 0.17 0.34 0.59 0.17 0.34 0.34 0.17 0.17 0.17 0.17 0.34
127 1.00 1.00 -0.09 -0.09 1.00 1.00 1.00 1.00 -0.09 -0.09 1.00 1.00 1.00 1.00 -0.09 1.00 1.00 -0.09 1.00 1.00
128 1.00 1.00 -0.09 -0.09 1.00 -0.09 1.00 1.00 -0.40 1.00 1.00 -0.09 1.00 1.00 0.66 1.00 1.00 1.00 -0.09 1.00
129 0.17 0.17 0.59 0.34 0.59 0.34 0.17 0.17 0.34 0.17 0.17 0.34 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17
130 0.08 0.08 0.55 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.55 0.55
131 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77 1.06 0.77 1.06 1.06 0.77 0.77 1.06 1.06 1.06
132 0.66 0.66 -0.09 -0.74 1.00 -0.74 0.66 -0.40 -0.09 0.66 0.66 -0.09 -0.40 -0.40 -0.09 -0.09 0.66 1.00 -0.74 0.66
137 0.08 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
138 0.47 -0.10 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 0.47 0.47 0.47
139 -0.26 0.51 0.41 0.41 0.51 0.41 0.51 0.51 -0.26 0.51 0.51 0.41 -0.26 0.51 0.51 0.51 -0.26 -0.26 0.41 -0.26
140 0.14 0.14 0.14 0.49 -0.25 0.14 -0.25 0.49 0.49 -0.25 0.49 0.14 -0.25 0.49 0.49 0.49 -0.25 0.49 0.49 0.49
141 -0.74 -0.09 -0.09 -0.74 -0.74 -0.74 -0.74 -0.09 -0.74 -0.74 -0.74 -0.09 -0.74 -0.09 -0.74 -0.09 -0.74 -0.09 -0.09 -0.74
142 0.66 1.00 0.66 -0.09 1.00 0.66 0.66 -0.09 1.00 0.66 0.66 1.00 0.66 0.66 0.66 1.00 0.66 -0.40 0.66 1.00
143 1.06 0.77 -1.14 0.77 0.77 -0.68 1.06 0.77 1.06 0.77 0.77 -0.68 0.77 0.77 1.06 0.77 1.06 1.06 -1.14 1.06
144 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 0.47 0.47 0.47 0.47 0.47
145 0.71 0.71 -0.44 -0.44 0.71 0.71 -0.44 0.71 -0.44 0.71 -0.44 -0.44 0.71 -0.44 0.71 0.71 0.71 -0.44 -0.44 0.71
146 0.93 0.93 0.81 0.81 0.93 0.81 0.93 0.93 0.93 0.93 0.93 0.81 0.93 0.93 0.93 0.93 0.93 0.93 0.81 0.93
147 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 -0.57 0.25 0.25 0.25 -0.57 -0.57 -0.57 0.25 -0.57 -0.57 0.25 0.25
148 1.04 1.04 0.54 1.04 1.04 0.54 1.04 0.54 1.04 1.04 0.54 1.04 1.04 1.04 0.20 1.04 0.20 1.04 1.04 1.04
149 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
150 0.51 0.34 0.51 0.51 0.51 0.51 0.34 0.51 0.34 0.34 0.34 0.51 0.51 0.51 0.51 0.34 0.34 0.51 0.51 0.34
151 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 0.28
152 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
153 1.25 1.25 1.25 1.25 1.25 1.25 1.25 1.25 1.25 1.14 1.25 1.25 1.25 1.14 1.14 1.14 1.14 1.25 1.25 1.25
154 0.51 0.51 0.51 0.51 0.41 0.41 0.41 0.51 0.41 0.41 0.51 0.51 0.41 0.51 0.51 0.41 0.51 0.51 0.51 0.51
155 0.47 0.47 0.47 0.47 0.47 0.47 -0.72 0.47 0.47 0.47 0.47 0.47 -0.72 0.47 0.47 0.47 0.47 0.47 0.47 0.47
156 -0.09 1.00 1.00 1.00 1.00 1.00 1.00 0.66 1.00 -0.09 1.00 -0.09 1.00 1.00 1.00 1.00 1.00 -0.09 1.00 -0.09
157 0.47 0.47 0.08 -2.12 0.47 0.08 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.47 0.08 0.47 0.08 0.08 0.47 0.47
158 -0.41 -0.41 0.24 0.24 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 0.24 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 0.24 -0.41
#Reported_Model_Average 0.500 0.476 0.374 0.365 0.543 0.391 0.372 0.447 0.369 0.325 0.499 0.389 0.352 0.447 0.418 0.471 0.352 0.406 0.445 0.447
#Overall_Average_Reported 0.419
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
7.000 3 1 2 2 1 2 2 2 2 2 2 2 2 2 1 2 3 2 2 2
8.000 2 1 2 2 1 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2
9.000 0 1 0 2 0 0 0 0 0 0 0 0 0 0 1 1 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 1 0 0 0 0 0 0 0 1 0 0 1 0 1 0 0 0 0 0
12.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 2 0 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0
15.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
16.000 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
17.000 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 1
18.000 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0
24.000 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 1
25.000 1 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0
26.000 1 0 0 0 0 0 0 0 0 0 0 0 1 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 1 0
28.000 1 0 1 2 0 2 0 0 1 0 0 0 0 1 0 0 0 0 0 0
29.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0
30.000 0 0 0 1 0 0 0 0 1 1 1 2 0 0 0 0 0 1 0 0
31.000 0 0 0 1 0 1 0 0 1 0 0 0 0 1 0 1 1 0 0 0
32.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
33.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
34.000 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 1 1 0
35.000 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0
36.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
37.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0
38.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0
39.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
40.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
41.000 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 1 0 1 0 0
42.000 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1 0 0
47.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
48.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
49.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
50.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
51.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
52.000 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0
53.000 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 0 0 0 0
54.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
55.000 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0
56.000 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0
57.000 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0
58.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0
60.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
61.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
62.000 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0
63.000 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0
64.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0
67.000 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 2 0 0 0
68.000 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0
69.000 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
97.000 3 1 2 2 1 2 2 2 2 2 2 2 2 2 1 2 3 2 2 2
98.000 2 1 2 2 1 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2
99.000 1 1 0 2 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 0
100.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
101.000 0 1 0 0 0 0 0 0 0 1 0 0 1 0 1 0 0 0 0 0
102.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 2 0 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0
105.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
106.000 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
107.000 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 1
108.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
109.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
112.000 1 2 0 0 2 0 0 1 0 0 0 2 0 0 0 0 0 0 0 0
113.000 0 2 0 0 2 0 0 0 1 0 0 1 0 1 0 0 0 0 0 0
114.000 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 1
115.000 1 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0
116.000 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0
117.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0
118.000 1 0 1 1 0 2 0 0 1 0 0 0 0 1 0 0 0 0 0 0
119.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0
120.000 0 0 0 1 0 0 0 0 1 2 1 2 0 0 0 0 0 1 0 0
121.000 0 0 0 1 0 1 0 0 1 0 0 0 0 1 0 1 1 0 0 0
122.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
123.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
124.000 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 1 1 0
125.000 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 2 0 0 0 0
126.000 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0
127.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0
128.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0
129.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
130.000 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0
131.000 0 1 1 0 0 0 0 0 0 1 1 0 0 0 1 1 0 1 0 0
132.000 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1 0 0
137.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
138.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
139.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
140.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
141.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
142.000 0 1 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 0 0
143.000 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 0 0 0 0
144.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
145.000 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0
146.000 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0
147.000 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0
148.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
149.000 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 0
150.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
151.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
152.000 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0
153.000 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0
154.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
155.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
156.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0
157.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
158.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
#Reported_Model_Average 0.196 0.268 0.143 0.188 0.080 0.161 0.089 0.125 0.205 0.214 0.205 0.188 0.214 0.170 0.161 0.214 0.179 0.232 0.125 0.125
#Overall_Average_Reported 0.174
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2639:M 91 MET N :M 99 TYR HH : -0.635: 0
: 2639:M 8 PRO 2HD :M 7 VAL HB : -0.472: 0
: 2639:M 7 VAL N :M 8 PRO CD : -0.458: 0
: 2639:M 62 ALA 2HB :M 7 VAL 3HG1 : -0.401: 0
: 2639:M 97 VAL HB :M 98 PRO 2HD : -0.469: 0
: 2639:M 97 VAL N :M 98 PRO CD : -0.464: 0
: 2639:M 152 ALA 2HB :M 97 VAL 3HG1 : -0.416: 0
: 2639:M 112 GLN 2HG :M 106 GLN 2HB : -0.412: 0
: 2639:M 16 GLN 2HB :M 22 GLN 2HG : -0.410: 0
: 2639:M 115 ASP H :M 118 HIS 1HB : -0.408: 0
: 2639:M 28 HIS 1HB :M 25 ASP H : -0.402: 0
: 2639:M 18 ILE 1HG1 :M 26 LYS HA : -0.401: 0
#sum2 ::4.55 clashscore : 4.55 clashscore B<40
#summary::2639 atoms:2639 atoms B<40:297271 potential dots:18580.0 A^2:12 bumps:12 bumps B<40:1063 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2639:M 113 SER CB :M 112 GLN O : -0.626: 0
: 2639:M 112 GLN O :M 113 SER 2HB : -0.494: 0
: 2639:M 49 ASN 2HB :M 139 ASN 2HB : -0.616: 0
: 2639:M 23 SER CB :M 22 GLN O : -0.611: 0
: 2639:M 22 GLN O :M 23 SER 2HB : -0.502: 0
: 2639:M 7 VAL N :M 8 PRO CD : -0.546: 0
: 2639:M 97 VAL N :M 98 PRO CD : -0.537: 0
: 2639:M 131 LEU 2HB :M 142 VAL 3HG1 : -0.511: 0
: 2639:M 52 VAL 3HG1 :M 41 LEU 2HB : -0.495: 0
: 2639:M 9 TYR 1HB :M 5 PHE 1HB : -0.451: 0
: 2639:M 99 TYR 1HB :M 95 PHE 1HB : -0.446: 0
: 2639:M 14 LEU 1HB :M 11 ILE HA : -0.435: 0
: 2639:M 14 LEU 3HD1 :M 66 VAL 1HG2 : -0.421: 0
: 2639:M 29 ALA 2HB :M 25 ASP H : -0.433: 0
: 2639:M 136 LEU C :M 135 GLN O : -0.432: 0
: 2639:M 45 GLN O :M 46 LEU C : -0.429: 0
: 2639:M 119 ALA 2HB :M 115 ASP H : -0.422: 0
: 2639:M 104 LEU 1HB :M 101 ILE HA : -0.420: 0
: 2639:M 156 VAL 1HG2 :M 104 LEU 3HD1 : -0.413: 0
: 2639:M 125 ARG 1HD :M 125 ARG C : -0.402: 0
#sum2 ::7.58 clashscore : 7.58 clashscore B<40
#summary::2639 atoms:2639 atoms B<40:297074 potential dots:18570.0 A^2:20 bumps:20 bumps B<40:992.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2639:M 4 LEU O :M 4 LEU 2HD1 : -0.608: 0
: 2639:M 4 LEU 2HD1 :M 4 LEU C : -0.527: 0
: 2639:M 94 LEU 2HD1 :M 94 LEU O : -0.598: 0
: 2639:M 94 LEU 2HD1 :M 94 LEU C : -0.517: 0
: 2639:M 8 PRO 1HD :M 7 VAL N : -0.504: 0
: 2639:M 7 VAL HB :M 8 PRO CD : -0.450: 0
: 2639:M 98 PRO 1HD :M 97 VAL N : -0.494: 0
: 2639:M 98 PRO CD :M 97 VAL HB : -0.462: 0
: 2639:M 28 HIS 1HB :M 25 ASP H : -0.433: 0
: 2639:M 52 VAL 3HG1 :M 41 LEU 2HB : -0.422: 0
: 2639:M 115 ASP H :M 118 HIS 1HB : -0.422: 0
: 2639:M 45 GLN O :M 46 LEU C : -0.421: 0
: 2639:M 131 LEU 2HB :M 142 VAL 3HG1 : -0.418: 0
#sum2 ::4.93 clashscore : 4.93 clashscore B<40
#summary::2639 atoms:2639 atoms B<40:297531 potential dots:18600.0 A^2:13 bumps:13 bumps B<40:1064 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2639:M 135 GLN 1HB :M 134 ASP O : -0.492: 0
: 2639:M 97 VAL HB :M 98 PRO 2HD : -0.486: 0
: 2639:M 97 VAL N :M 98 PRO CD : -0.427: 0
: 2639:M 8 PRO 2HD :M 7 VAL HB : -0.482: 0
: 2639:M 7 VAL N :M 8 PRO CD : -0.429: 0
: 2639:M 45 GLN 1HB :M 44 ASP O : -0.478: 0
: 2639:M 5 PHE H :M 9 TYR CB : -0.470: 0
: 2639:M 9 TYR 1HB :M 5 PHE H : -0.415: 0
: 2639:M 95 PHE H :M 99 TYR CB : -0.461: 0
: 2639:M 99 TYR 1HB :M 95 PHE H : -0.404: 0
: 2639:M 169 HIS HA :M 28 HIS 1HB : -0.417: 0
: 2639:M 28 HIS HA :M 31 ASN 1HB : -0.406: 0
: 2639:M 120 MET 1HG :M 104 LEU 2HD2 : -0.415: 0
: 2639:M 118 HIS HA :M 121 ASN 1HB : -0.409: 0
: 2639:M 14 LEU 2HD2 :M 30 MET 1HG : -0.405: 0
#sum2 ::5.68 clashscore : 5.68 clashscore B<40
#summary::2639 atoms:2639 atoms B<40:297276 potential dots:18580.0 A^2:15 bumps:15 bumps B<40:1118 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2639:M 70 GLU C :M 69 GLY O : -0.629: 0
: 2639:M 159 GLY O :M 160 GLU C : -0.624: 0
: 2639:M 23 SER CB :M 22 GLN O : -0.620: 0
: 2639:M 22 GLN O :M 23 SER 2HB : -0.493: 0
: 2639:M 113 SER CB :M 112 GLN O : -0.615: 0
: 2639:M 112 GLN O :M 113 SER 2HB : -0.493: 0
: 2639:M 8 PRO 2HD :M 7 VAL HB : -0.530: 0
: 2639:M 97 VAL HB :M 98 PRO 2HD : -0.521: 0
: 2639:M 95 PHE 1HB :M 94 LEU O : -0.465: 0
: 2639:M 95 PHE N :M 95 PHE CD1 : -0.404: 0
: 2639:M 5 PHE 1HB :M 4 LEU O : -0.459: 0
#sum2 ::4.17 clashscore : 4.17 clashscore B<40
#summary::2639 atoms:2639 atoms B<40:297302 potential dots:18580.0 A^2:11 bumps:11 bumps B<40:1068 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2639:M 164 GLU 1HG :M 164 GLU O : -0.535: 0
: 2639:M 74 GLU 1HG :M 74 GLU O : -0.534: 0
: 2639:M 8 PRO 2HD :M 7 VAL HB : -0.524: 0
: 2639:M 7 VAL N :M 8 PRO CD : -0.440: 0
: 2639:M 97 VAL HB :M 98 PRO 2HD : -0.503: 0
: 2639:M 97 VAL N :M 98 PRO CD : -0.441: 0
: 2639:M 25 ASP 2HB :M 28 HIS 1HB : -0.462: 0
: 2639:M 115 ASP 2HB :M 118 HIS 1HB : -0.462: 0
: 2639:M 121 ASN ND2 :M 118 HIS ND1 : -0.458: 0
: 2639:M 31 ASN ND2 :M 28 HIS ND1 : -0.452: 0
: 2639:M 166 HIS HA :M 25 ASP 1HB : -0.442: 0
: 2639:M 76 HIS HA :M 115 ASP 1HB : -0.433: 0
: 2639:M 80 HIS O :M 80 HIS CG : -0.423: 0
: 2639:M 170 HIS O :M 170 HIS CG : -0.420: 0
#sum2 ::5.31 clashscore : 5.31 clashscore B<40
#summary::2639 atoms:2639 atoms B<40:297129 potential dots:18570.0 A^2:14 bumps:14 bumps B<40:1091 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2639:M 93 GLU O :M 94 LEU 2HB : -0.535: 0
: 2639:M 4 LEU 2HB :M 3 GLU O : -0.522: 0
: 2639:M 7 VAL N :M 8 PRO CD : -0.498: 0
: 2639:M 8 PRO 2HD :M 7 VAL HB : -0.415: 0
: 2639:M 97 VAL N :M 98 PRO CD : -0.492: 0
: 2639:M 97 VAL HB :M 98 PRO 2HD : -0.415: 0
: 2639:M 73 LEU N :M 73 LEU 3HD2 : -0.442: 0
: 2639:M 163 LEU 3HD2 :M 163 LEU N : -0.439: 0
: 2639:M 52 VAL 3HG1 :M 41 LEU 2HB : -0.405: 0
#sum2 ::3.41 clashscore : 3.41 clashscore B<40
#summary::2639 atoms:2639 atoms B<40:297284 potential dots:18580.0 A^2:9 bumps:9 bumps B<40:1118 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2639:M 136 LEU O :M 136 LEU HG : -0.611: 0
: 2639:M 46 LEU O :M 46 LEU HG : -0.604: 0
: 2639:M 46 LEU O :M 46 LEU CG : -0.423: 0
: 2639:M 8 PRO 2HD :M 7 VAL HB : -0.473: 0
: 2639:M 7 VAL N :M 8 PRO CD : -0.471: 0
: 2639:M 97 VAL N :M 98 PRO CD : -0.468: 0
: 2639:M 97 VAL HB :M 98 PRO 2HD : -0.467: 0
: 2639:M 92 SER O :M 93 GLU 2HB : -0.460: 0
: 2639:M 2 SER O :M 3 GLU 2HB : -0.456: 0
: 2639:M 35 ARG C :M 35 ARG 1HD : -0.435: 0
: 2639:M 125 ARG C :M 125 ARG 1HD : -0.430: 0
: 2639:M 22 GLN 1HG :M 20 MET 1HG : -0.417: 0
: 2639:M 112 GLN 1HG :M 110 MET 1HG : -0.401: 0
#sum2 ::4.93 clashscore : 4.93 clashscore B<40
#summary::2639 atoms:2639 atoms B<40:297036 potential dots:18560.0 A^2:13 bumps:13 bumps B<40:1074 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2639:M 136 LEU C :M 135 GLN O : -0.548: 0
: 2639:M 46 LEU C :M 45 GLN O : -0.546: 0
: 2639:M 53 LEU 1HB :M 143 LEU 1HB : -0.527: 0
: 2639:M 92 SER 2HB :M 91 MET O : -0.500: 0
: 2639:M 91 MET O :M 92 SER CB : -0.426: 0
: 2639:M 1 MET O :M 2 SER 2HB : -0.483: 0
: 2639:M 1 MET O :M 2 SER CB : -0.416: 0
: 2639:M 98 PRO 1HD :M 97 VAL N : -0.471: 0
: 2639:M 98 PRO CD :M 97 VAL HB : -0.413: 0
: 2639:M 8 PRO 1HD :M 7 VAL N : -0.463: 0
: 2639:M 7 VAL HB :M 8 PRO CD : -0.411: 0
: 2639:M 28 HIS HA :M 31 ASN 1HB : -0.446: 0
: 2639:M 118 HIS HA :M 121 ASN 1HB : -0.441: 0
: 2639:M 67 LYS O :M 68 ARG C : -0.421: 0
: 2639:M 23 SER 2HB :M 168 HIS 2HB : -0.417: 0
: 2639:M 124 TYR 2HB :M 120 MET O : -0.413: 0
: 2639:M 34 TYR 2HB :M 30 MET O : -0.410: 0
: 2639:M 113 SER 2HB :M 78 HIS 2HB : -0.403: 0
: 2639:M 126 SER O :M 130 THR N : -0.400: 0
#sum2 ::7.20 clashscore : 7.20 clashscore B<40
#summary::2639 atoms:2639 atoms B<40:297152 potential dots:18570.0 A^2:19 bumps:19 bumps B<40:1122 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2639:M 73 LEU HG :M 73 LEU O : -0.579: 0
: 2639:M 163 LEU O :M 163 LEU HG : -0.576: 0
: 2639:M 7 VAL N :M 8 PRO CD : -0.528: 0
: 2639:M 8 PRO 2HD :M 7 VAL HB : -0.431: 0
: 2639:M 133 GLN 2HG :M 132 VAL 3HG2 : -0.527: 0
: 2639:M 97 VAL N :M 98 PRO CD : -0.523: 0
: 2639:M 97 VAL HB :M 98 PRO 2HD : -0.429: 0
: 2639:M 135 GLN 1HB :M 134 ASP O : -0.513: 0
: 2639:M 134 ASP O :M 135 GLN CB : -0.426: 0
: 2639:M 43 GLN 2HG :M 42 VAL 3HG2 : -0.510: 0
: 2639:M 45 GLN 1HB :M 44 ASP O : -0.501: 0
: 2639:M 44 ASP O :M 45 GLN CB : -0.436: 0
: 2639:M 52 VAL 3HG1 :M 41 LEU 2HB : -0.474: 0
: 2639:M 131 LEU 2HB :M 142 VAL 3HG1 : -0.472: 0
: 2639:M 30 MET SD :M 34 TYR 1HB : -0.451: 0
: 2639:M 120 MET SD :M 124 TYR 1HB : -0.451: 0
: 2639:M 153 TYR HA :M 120 MET 3HE : -0.400: 0
: 2639:M 104 LEU 2HD1 :M 101 ILE HA : -0.404: 0
: 2639:M 1 MET O :M 2 SER 2HB : -0.400: 0
: 2639:M 14 LEU 2HD1 :M 11 ILE HA : -0.400: 0
#sum2 ::7.58 clashscore : 7.58 clashscore B<40
#summary::2639 atoms:2639 atoms B<40:297296 potential dots:18580.0 A^2:20 bumps:20 bumps B<40:1057 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2639:M 97 VAL HB :M 98 PRO 2HD : -0.543: 0
: 2639:M 97 VAL N :M 98 PRO CD : -0.427: 0
: 2639:M 8 PRO 2HD :M 7 VAL HB : -0.542: 0
: 2639:M 7 VAL N :M 8 PRO CD : -0.421: 0
: 2639:M 91 MET N :M 99 TYR HH : -0.527: 0
: 2639:M 45 GLN 1HB :M 44 ASP O : -0.511: 0
: 2639:M 135 GLN 1HB :M 134 ASP O : -0.497: 0
: 2639:M 52 VAL 3HG1 :M 41 LEU 2HB : -0.460: 0
: 2639:M 131 LEU 2HB :M 142 VAL 3HG1 : -0.450: 0
: 2639:M 114 GLU 1HB :M 107 HIS 2HB : -0.443: 0
: 2639:M 24 GLU 1HB :M 17 HIS 2HB : -0.435: 0
: 2639:M 95 PHE HA :M 145 ARG 1HG : -0.422: 0
: 2639:M 94 LEU O :M 96 SER N : -0.406: 0
: 2639:M 104 LEU 1HD1 :M 120 MET SD : -0.405: 0
: 2639:M 55 ARG 1HG :M 5 PHE HA : -0.403: 0
: 2639:M 6 SER N :M 4 LEU O : -0.402: 0
: 2639:M 30 MET SD :M 14 LEU 1HD1 : -0.401: 0
#sum2 ::6.44 clashscore : 6.44 clashscore B<40
#summary::2639 atoms:2639 atoms B<40:297295 potential dots:18580.0 A^2:17 bumps:17 bumps B<40:994.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2639:M 7 VAL N :M 8 PRO CD : -0.526: 0
: 2639:M 8 PRO 2HD :M 7 VAL HB : -0.410: 0
: 2639:M 97 VAL N :M 98 PRO CD : -0.520: 0
: 2639:M 97 VAL HB :M 98 PRO 2HD : -0.409: 0
: 2639:M 78 HIS C :M 77 HIS O : -0.502: 0
: 2639:M 78 HIS O :M 78 HIS ND1 : -0.464: 0
: 2639:M 168 HIS C :M 167 HIS O : -0.498: 0
: 2639:M 168 HIS O :M 168 HIS ND1 : -0.464: 0
: 2639:M 14 LEU 1HD1 :M 30 MET SD : -0.469: 0
: 2639:M 30 MET 1HG :M 63 TYR HA : -0.420: 0
: 2639:M 104 LEU 1HD1 :M 120 MET SD : -0.461: 0
: 2639:M 153 TYR HA :M 120 MET 1HG : -0.421: 0
: 2639:M 22 GLN O :M 23 SER 2HB : -0.443: 0
: 2639:M 22 GLN 2HB :M 17 HIS CE1 : -0.411: 0
: 2639:M 112 GLN O :M 113 SER 2HB : -0.435: 0
: 2639:M 107 HIS CE1 :M 112 GLN 2HB : -0.411: 0
#sum2 ::6.06 clashscore : 6.06 clashscore B<40
#summary::2639 atoms:2639 atoms B<40:296914 potential dots:18560.0 A^2:16 bumps:16 bumps B<40:1061 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2639:M 97 VAL N :M 98 PRO CD : -0.508: 0
: 2639:M 97 VAL HB :M 98 PRO 2HD : -0.445: 0
: 2639:M 7 VAL N :M 8 PRO CD : -0.507: 0
: 2639:M 8 PRO 2HD :M 7 VAL HB : -0.440: 0
: 2639:M 14 LEU 1HB :M 11 ILE HA : -0.503: 0
: 2639:M 104 LEU 1HB :M 101 ILE HA : -0.502: 0
: 2639:M 149 LEU 1HD2 :M 124 TYR HA : -0.470: 0
: 2639:M 59 LEU 1HD2 :M 34 TYR HA : -0.469: 0
: 2639:M 116 LYS 2HB :M 160 GLU HA : -0.437: 0
: 2639:M 57 GLN 1HG :M 132 VAL 3HG1 : -0.433: 0
: 2639:M 56 ILE 3HD1 :M 146 ILE 3HD1 : -0.425: 0
: 2639:M 26 LYS 2HB :M 70 GLU HA : -0.421: 0
: 2639:M 147 GLN 1HG :M 42 VAL 3HG1 : -0.416: 0
#sum2 ::4.93 clashscore : 4.93 clashscore B<40
#summary::2639 atoms:2639 atoms B<40:297285 potential dots:18580.0 A^2:13 bumps:13 bumps B<40:1062 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2639:M 147 GLN 1HG :M 42 VAL 3HG1 : -0.568: 0
: 2639:M 57 GLN 1HG :M 132 VAL 3HG1 : -0.556: 0
: 2639:M 46 LEU HA :M 52 VAL 1HG2 : -0.476: 0
: 2639:M 142 VAL 1HG2 :M 136 LEU HA : -0.468: 0
: 2639:M 7 VAL N :M 8 PRO CD : -0.467: 0
: 2639:M 8 PRO 2HD :M 7 VAL HB : -0.450: 0
: 2639:M 97 VAL N :M 98 PRO CD : -0.455: 0
: 2639:M 97 VAL HB :M 98 PRO 2HD : -0.450: 0
: 2639:M 118 HIS HA :M 121 ASN 1HB : -0.426: 0
: 2639:M 78 HIS HA :M 113 SER O : -0.410: 0
: 2639:M 28 HIS HA :M 31 ASN 1HB : -0.406: 0
#sum2 ::4.17 clashscore : 4.17 clashscore B<40
#summary::2639 atoms:2639 atoms B<40:296770 potential dots:18550.0 A^2:11 bumps:11 bumps B<40:1132 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2639:M 53 LEU 1HB :M 143 LEU 1HB : -0.642: 0
: 2639:M 163 LEU O :M 164 GLU 1HB : -0.495: 0
: 2639:M 73 LEU O :M 74 GLU 1HB : -0.488: 0
: 2639:M 7 VAL N :M 8 PRO CD : -0.480: 0
: 2639:M 97 VAL N :M 98 PRO CD : -0.470: 0
: 2639:M 96 SER 2HB :M 99 TYR 1HB : -0.431: 0
: 2639:M 9 TYR 1HB :M 6 SER 2HB : -0.422: 0
: 2639:M 21 ASN HA :M 17 HIS HA : -0.421: 0
: 2639:M 131 LEU 2HB :M 142 VAL 3HG1 : -0.415: 0
: 2639:M 101 ILE HB :M 152 ALA 1HB : -0.407: 0
: 2639:M 52 VAL 3HG1 :M 41 LEU 2HB : -0.406: 0
: 2639:M 11 ILE HB :M 62 ALA 1HB : -0.406: 0
: 2639:M 111 ASN HA :M 107 HIS HA : -0.402: 0
#sum2 ::4.93 clashscore : 4.93 clashscore B<40
#summary::2639 atoms:2639 atoms B<40:297169 potential dots:18570.0 A^2:13 bumps:13 bumps B<40:1073 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2639:M 73 LEU O :M 73 LEU 3HD2 : -0.831: 0
: 2639:M 163 LEU O :M 163 LEU 3HD2 : -0.831: 0
: 2639:M 163 LEU CD2 :M 163 LEU O : -0.748: 0
: 2639:M 73 LEU CD2 :M 73 LEU O : -0.736: 0
: 2639:M 73 LEU 3HD2 :M 73 LEU C : -0.427: 0
: 2639:M 163 LEU 3HD2 :M 163 LEU C : -0.413: 0
: 2639:M 31 ASN 2HB :M 121 ASN 2HB : -0.560: 0
: 2639:M 8 PRO CD :M 7 VAL N : -0.511: 0
: 2639:M 8 PRO 2HD :M 7 VAL HB : -0.424: 0
: 2639:M 98 PRO CD :M 97 VAL N : -0.506: 0
: 2639:M 162 LYS 1HB :M 161 SER O : -0.506: 0
: 2639:M 98 PRO 2HD :M 97 VAL HB : -0.429: 0
: 2639:M 72 LYS 1HB :M 71 SER O : -0.503: 0
: 2639:M 169 HIS O :M 170 HIS 2HB : -0.461: 0
: 2639:M 79 HIS O :M 80 HIS 2HB : -0.460: 0
: 2639:M 131 LEU N :M 127 VAL O : -0.455: 0
: 2639:M 41 LEU N :M 37 VAL O : -0.454: 0
: 2639:M 143 LEU HA :M 146 ILE 2HD1 : -0.424: 0
: 2639:M 53 LEU HA :M 56 ILE 2HD1 : -0.422: 0
: 2639:M 99 TYR HA :M 102 GLU 1HB : -0.416: 0
: 2639:M 12 GLU 1HB :M 9 TYR HA : -0.415: 0
: 2639:M 125 ARG 1HD :M 125 ARG C : -0.406: 0
#sum2 ::8.34 clashscore : 8.34 clashscore B<40
#summary::2639 atoms:2639 atoms B<40:297035 potential dots:18560.0 A^2:22 bumps:22 bumps B<40:1080 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2639:M 121 ASN 2HB :M 31 ASN 2HB : -0.744: 0
: 2639:M 97 VAL HB :M 98 PRO 2HD : -0.520: 0
: 2639:M 97 VAL N :M 98 PRO CD : -0.518: 0
: 2639:M 152 ALA 2HB :M 97 VAL 3HG1 : -0.403: 0
: 2639:M 7 VAL N :M 8 PRO CD : -0.510: 0
: 2639:M 8 PRO 2HD :M 7 VAL HB : -0.506: 0
: 2639:M 62 ALA 2HB :M 7 VAL 3HG1 : -0.419: 0
: 2639:M 29 ALA 2HB :M 24 GLU 2HG : -0.484: 0
: 2639:M 119 ALA 2HB :M 114 GLU 2HG : -0.471: 0
: 2639:M 71 SER 2HB :M 70 GLU O : -0.421: 0
: 2639:M 160 GLU O :M 161 SER 2HB : -0.412: 0
: 2639:M 74 GLU O :M 75 HIS O : -0.411: 0
: 2639:M 2 SER 1HB :M 1 MET O : -0.405: 0
: 2639:M 92 SER O :M 93 GLU 1HB : -0.401: 0
: 2639:M 165 HIS O :M 164 GLU O : -0.401: 0
: 2639:M 67 LYS 2HB :M 67 LYS 1HE : -0.400: 0
#sum2 ::6.06 clashscore : 6.06 clashscore B<40
#summary::2639 atoms:2639 atoms B<40:296705 potential dots:18540.0 A^2:16 bumps:16 bumps B<40:1100 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2639:M 7 VAL N :M 8 PRO CD : -0.512: 0
: 2639:M 8 PRO 2HD :M 7 VAL HB : -0.407: 0
: 2639:M 97 VAL N :M 98 PRO CD : -0.505: 0
: 2639:M 97 VAL HB :M 98 PRO 2HD : -0.417: 0
: 2639:M 43 GLN 2HG :M 42 VAL 3HG2 : -0.500: 0
: 2639:M 133 GLN 2HG :M 132 VAL 3HG2 : -0.499: 0
: 2639:M 131 LEU 2HB :M 142 VAL 3HG1 : -0.494: 0
: 2639:M 52 VAL 3HG1 :M 41 LEU 2HB : -0.478: 0
: 2639:M 30 MET SD :M 66 VAL HB : -0.440: 0
: 2639:M 120 MET SD :M 156 VAL HB : -0.440: 0
: 2639:M 128 VAL 3HG2 :M 124 TYR O : -0.429: 0
: 2639:M 128 VAL 3HG2 :M 149 LEU 3HD1 : -0.418: 0
: 2639:M 38 VAL 3HG2 :M 34 TYR O : -0.423: 0
: 2639:M 38 VAL 3HG2 :M 59 LEU 3HD1 : -0.422: 0
#sum2 ::5.31 clashscore : 5.31 clashscore B<40
#summary::2639 atoms:2639 atoms B<40:297039 potential dots:18560.0 A^2:14 bumps:14 bumps B<40:1120 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2639:M 136 LEU O :M 136 LEU 3HD2 : -0.640: 0
: 2639:M 46 LEU O :M 46 LEU 3HD2 : -0.640: 0
: 2639:M 46 LEU CD2 :M 46 LEU O : -0.627: 0
: 2639:M 136 LEU CD2 :M 136 LEU O : -0.620: 0
: 2639:M 8 PRO 2HD :M 7 VAL HB : -0.513: 0
: 2639:M 7 VAL N :M 8 PRO CD : -0.449: 0
: 2639:M 97 VAL HB :M 98 PRO 2HD : -0.507: 0
: 2639:M 97 VAL N :M 98 PRO CD : -0.443: 0
: 2639:M 135 GLN 1HB :M 134 ASP O : -0.487: 0
: 2639:M 45 GLN 1HB :M 44 ASP O : -0.485: 0
: 2639:M 161 SER 2HB :M 160 GLU O : -0.468: 0
: 2639:M 161 SER H :M 117 ILE 2HG2 : -0.415: 0
: 2639:M 71 SER 2HB :M 70 GLU O : -0.454: 0
: 2639:M 27 ILE 2HG2 :M 71 SER H : -0.407: 0
: 2639:M 4 LEU 1HD2 :M 1 MET 1HB : -0.410: 0
: 2639:M 94 LEU 1HD2 :M 91 MET 1HB : -0.406: 0
: 2639:M 149 LEU HG :M 124 TYR CD1 : -0.406: 0
: 2639:M 59 LEU HG :M 34 TYR CD1 : -0.402: 0
#sum2 ::6.82 clashscore : 6.82 clashscore B<40
#summary::2639 atoms:2639 atoms B<40:296979 potential dots:18560.0 A^2:18 bumps:18 bumps B<40:1031 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2639:M 7 VAL N :M 8 PRO CD : -0.504: 0
: 2639:M 8 PRO 2HD :M 7 VAL HB : -0.474: 0
: 2639:M 97 VAL N :M 98 PRO CD : -0.503: 0
: 2639:M 97 VAL HB :M 98 PRO 2HD : -0.489: 0
: 2639:M 107 HIS 2HB :M 114 GLU 2HB : -0.458: 0
: 2639:M 24 GLU 2HB :M 17 HIS 2HB : -0.454: 0
: 2639:M 39 SER O :M 43 GLN 1HG : -0.418: 0
: 2639:M 133 GLN 1HG :M 129 SER O : -0.417: 0
: 2639:M 166 HIS 1HB :M 165 HIS O : -0.415: 0
: 2639:M 75 HIS O :M 76 HIS 1HB : -0.402: 0
#sum2 ::3.79 clashscore : 3.79 clashscore B<40
#summary::2639 atoms:2639 atoms B<40:297114 potential dots:18570.0 A^2:10 bumps:10 bumps B<40:1063 score
Output from PDB validation software
Summary from PDB validation
May. 10, 18:27:29 2013
[ Text modified to reflect that this was run under PSVS - Aneerban Bhattacharya: Dec 2005 ]
The following checks were made on :
-----------------------------------------
CLOSE CONTACTS
==> Distances smaller than 2.2 Angstroms are considered as close contacts
for heavy atoms, 1.6 Angstroms for hydrogens.
none
DISTANCES AND ANGLES
We have checked your intra and intermolecular distances and angles with the
procedures currently in place at PDB:
==> Bond and angle checks are performed by first computing the average rms
error for all bonds and angles relative to standard values for nucleotide
units [L. Clowney et al., Geometric Parameters in Nucleic Acids: Nitrogenous
Bases, J.Am.Chem.Soc. 1996, 118, 509-518; A. Gelbin et al., Geometric
Parameters in Nucleic Acids: Sugar and Phosphate Constituents, J.Am.Chem.Soc.
1996, 118, 519-529] and amino acid units [R.A. Engh and R. Huber, Accurate
Bond and Angle Parameters for X-ray protein structure refinement, Acta
Crystallogr. 1991, A47, 392-400]. Any bond or angle which deviates from the
dictionary values by more than six times this computed rms error is
identified as an outlier.
*** Covalent Bond Lengths:
The RMS deviation for covalent bonds relative to the standard
dictionary is 0.009 Angstroms
The following table contains a list of the covalent bonds
greater than 6.0*RMSD.
Deviation Residue Chain Sequence Model AT1 - AT2 Bond Dictionary
Name ID Number Distance Value
------------------------------------------------------------------------
0.065 PRO A 8 2 CD - N 1.538 1.473
0.065 PRO B 8 2 CD - N 1.538 1.473
0.062 PRO A 8 12 CD - N 1.535 1.473
0.061 PRO B 8 12 CD - N 1.534 1.473
0.068 GLN A 45 13 N - CA 1.526 1.458
0.068 GLN B 45 13 N - CA 1.526 1.458
*** Covalent Angle Values:
The RMS deviation for covalent angles relative to the standard
dictionary is 0.6 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
--------------------------------------------------------------------------------
-4.2 HIS A 77 5 CA - CB - CG 109.6 113.8
-3.8 HIS A 77 5 CE1 - NE2 - CD2 105.2 109.0
-4.2 HIS B 77 5 CA - CB - CG 109.6 113.8
-3.8 HIS B 77 5 CE1 - NE2 - CD2 105.2 109.0
-3.8 TYR A 34 15 CA - CB - CG 110.1 113.9
-3.7 TYR B 34 15 CA - CB - CG 110.2 113.9
TORSION ANGLES
The torsion angle distributions have been checked. The postscript file of the
conformation rings showing the torsion angle distributions will be sent in a
separate E-mail message.
CHIRALITY
The chirality has been checked. O1P, O2P, and hydrogen atoms which do not
follow the convention defined in the IUBMB (Liebecq, C. Compendium of
Biochemical Nomenclature and Related Documents, 2nd ed.; Portland Press:
London and Chapel Hill, 1992) and IUPAC nomenclature (J.L. Markley, A. Bax,
Y. Arata, C.W. Hilbers, R. Kaptein, B.D. Sykes, P.E. Wright and K. Wüthrich,
Recommendations for the Presentation of NMR Structures of Proteins and
Nucleic Acids, Pure & Appl. Chem., Vol. 70, pp. 117-142, 1998) have been
standardized. Any other stereochemical violations are listed below.
E/Z NOMENCLATURE
E/Z nomenclature of hydrogens and/or nitrogens on Arg, Asn or Gln residues needs
to be corrected to conform with the standard for E/Z orientation presented in
[J.L. Markley, et al., Recommendations for the Presentation of NMR Structures of
Proteins and Nucleic Acids, Pure & Appl. Chem., 1998, 70, 117-142].
Model Chain Residue Residue Atom Name Original
Name Number Atom Name
----- ----- ------- ------- -------- ---------
1 A ASN 13 1HD2
1 A ASN 13 2HD2
1 A GLN 16 1HE2
1 A GLN 16 2HE2
1 A ASN 21 1HD2
1 A ASN 21 2HD2
1 A GLN 22 1HE2
1 A GLN 22 2HE2
1 A ASN 31 1HD2
1 A ASN 31 2HD2
1 A GLN 43 1HE2
1 A GLN 43 2HE2
1 A GLN 45 1HE2
1 A GLN 45 2HE2
1 A ASN 49 1HD2
1 A ASN 49 2HD2
1 A GLN 57 1HE2
1 A GLN 57 2HE2
1 A ASN 64 1HD2
1 A ASN 64 2HD2
1 B ASN 13 1HD2
1 B ASN 13 2HD2
1 B GLN 16 1HE2
1 B GLN 16 2HE2
1 B ASN 21 1HD2
1 B ASN 21 2HD2
1 B GLN 22 1HE2
1 B GLN 22 2HE2
1 B ASN 31 1HD2
1 B ASN 31 2HD2
1 B GLN 43 1HE2
1 B GLN 43 2HE2
1 B GLN 45 1HE2
1 B GLN 45 2HE2
1 B ASN 49 1HD2
1 B ASN 49 2HD2
1 B GLN 57 1HE2
1 B GLN 57 2HE2
1 B ASN 64 1HD2
1 B ASN 64 2HD2
2 A ASN 13 1HD2
2 A ASN 13 2HD2
2 A GLN 16 1HE2
2 A GLN 16 2HE2
2 A ASN 21 1HD2
2 A ASN 21 2HD2
2 A GLN 22 1HE2
2 A GLN 22 2HE2
2 A ASN 31 1HD2
2 A ASN 31 2HD2
2 A GLN 43 1HE2
2 A GLN 43 2HE2
2 A GLN 45 1HE2
2 A GLN 45 2HE2
2 A ASN 49 1HD2
2 A ASN 49 2HD2
2 A GLN 57 1HE2
2 A GLN 57 2HE2
2 A ASN 64 1HD2
2 A ASN 64 2HD2
2 B ASN 13 1HD2
2 B ASN 13 2HD2
2 B GLN 16 1HE2
2 B GLN 16 2HE2
2 B ASN 21 1HD2
2 B ASN 21 2HD2
2 B GLN 22 1HE2
2 B GLN 22 2HE2
2 B ASN 31 1HD2
2 B ASN 31 2HD2
2 B GLN 43 1HE2
2 B GLN 43 2HE2
2 B GLN 45 1HE2
2 B GLN 45 2HE2
2 B ASN 49 1HD2
2 B ASN 49 2HD2
2 B GLN 57 1HE2
2 B GLN 57 2HE2
2 B ASN 64 1HD2
2 B ASN 64 2HD2
3 A ASN 13 1HD2
3 A ASN 13 2HD2
3 A GLN 16 1HE2
3 A GLN 16 2HE2
3 A ASN 21 1HD2
3 A ASN 21 2HD2
3 A GLN 22 1HE2
3 A GLN 22 2HE2
3 A ASN 31 1HD2
3 A ASN 31 2HD2
3 A GLN 43 1HE2
3 A GLN 43 2HE2
3 A GLN 45 1HE2
3 A GLN 45 2HE2
3 A ASN 49 1HD2
3 A ASN 49 2HD2
3 A GLN 57 1HE2
3 A GLN 57 2HE2
3 A ASN 64 1HD2
3 A ASN 64 2HD2
3 B ASN 13 1HD2
3 B ASN 13 2HD2
3 B GLN 16 1HE2
3 B GLN 16 2HE2
3 B ASN 21 1HD2
3 B ASN 21 2HD2
3 B GLN 22 1HE2
3 B GLN 22 2HE2
3 B ASN 31 1HD2
3 B ASN 31 2HD2
3 B GLN 43 1HE2
3 B GLN 43 2HE2
3 B GLN 45 1HE2
3 B GLN 45 2HE2
3 B ASN 49 1HD2
3 B ASN 49 2HD2
3 B GLN 57 1HE2
3 B GLN 57 2HE2
3 B ASN 64 1HD2
3 B ASN 64 2HD2
4 A ASN 13 1HD2
4 A ASN 13 2HD2
4 A GLN 16 1HE2
4 A GLN 16 2HE2
4 A ASN 21 1HD2
4 A ASN 21 2HD2
4 A GLN 22 1HE2
4 A GLN 22 2HE2
4 A ASN 31 1HD2
4 A ASN 31 2HD2
4 A GLN 43 1HE2
4 A GLN 43 2HE2
4 A GLN 45 1HE2
4 A GLN 45 2HE2
4 A ASN 49 1HD2
4 A ASN 49 2HD2
4 A GLN 57 1HE2
4 A GLN 57 2HE2
4 A ASN 64 1HD2
4 A ASN 64 2HD2
4 B ASN 13 1HD2
4 B ASN 13 2HD2
4 B GLN 16 1HE2
4 B GLN 16 2HE2
4 B ASN 21 1HD2
4 B ASN 21 2HD2
4 B GLN 22 1HE2
4 B GLN 22 2HE2
4 B ASN 31 1HD2
4 B ASN 31 2HD2
4 B GLN 43 1HE2
4 B GLN 43 2HE2
4 B GLN 45 1HE2
4 B GLN 45 2HE2
4 B ASN 49 1HD2
4 B ASN 49 2HD2
4 B GLN 57 1HE2
4 B GLN 57 2HE2
4 B ASN 64 1HD2
4 B ASN 64 2HD2
5 A ASN 13 1HD2
5 A ASN 13 2HD2
5 A GLN 16 1HE2
5 A GLN 16 2HE2
5 A ASN 21 1HD2
5 A ASN 21 2HD2
5 A GLN 22 1HE2
5 A GLN 22 2HE2
5 A ASN 31 1HD2
5 A ASN 31 2HD2
5 A GLN 43 1HE2
5 A GLN 43 2HE2
5 A GLN 45 1HE2
5 A GLN 45 2HE2
5 A ASN 49 1HD2
5 A ASN 49 2HD2
5 A GLN 57 1HE2
5 A GLN 57 2HE2
5 A ASN 64 1HD2
5 A ASN 64 2HD2
5 B ASN 13 1HD2
5 B ASN 13 2HD2
5 B GLN 16 1HE2
5 B GLN 16 2HE2
5 B ASN 21 1HD2
5 B ASN 21 2HD2
5 B GLN 22 1HE2
5 B GLN 22 2HE2
5 B ASN 31 1HD2
5 B ASN 31 2HD2
5 B GLN 43 1HE2
5 B GLN 43 2HE2
5 B GLN 45 1HE2
5 B GLN 45 2HE2
5 B ASN 49 1HD2
5 B ASN 49 2HD2
5 B GLN 57 1HE2
5 B GLN 57 2HE2
5 B ASN 64 1HD2
5 B ASN 64 2HD2
6 A ASN 13 1HD2
6 A ASN 13 2HD2
6 A GLN 16 1HE2
6 A GLN 16 2HE2
6 A ASN 21 1HD2
6 A ASN 21 2HD2
6 A GLN 22 1HE2
6 A GLN 22 2HE2
6 A ASN 31 1HD2
6 A ASN 31 2HD2
6 A GLN 43 1HE2
6 A GLN 43 2HE2
6 A GLN 45 1HE2
6 A GLN 45 2HE2
6 A ASN 49 1HD2
6 A ASN 49 2HD2
6 A GLN 57 1HE2
6 A GLN 57 2HE2
6 A ASN 64 1HD2
6 A ASN 64 2HD2
6 B ASN 13 1HD2
6 B ASN 13 2HD2
6 B GLN 16 1HE2
6 B GLN 16 2HE2
6 B ASN 21 1HD2
6 B ASN 21 2HD2
6 B GLN 22 1HE2
6 B GLN 22 2HE2
6 B ASN 31 1HD2
6 B ASN 31 2HD2
6 B GLN 43 1HE2
6 B GLN 43 2HE2
6 B GLN 45 1HE2
6 B GLN 45 2HE2
6 B ASN 49 1HD2
6 B ASN 49 2HD2
6 B GLN 57 1HE2
6 B GLN 57 2HE2
6 B ASN 64 1HD2
6 B ASN 64 2HD2
7 A ASN 13 1HD2
7 A ASN 13 2HD2
7 A GLN 16 1HE2
7 A GLN 16 2HE2
7 A ASN 21 1HD2
7 A ASN 21 2HD2
7 A GLN 22 1HE2
7 A GLN 22 2HE2
7 A ASN 31 1HD2
7 A ASN 31 2HD2
7 A GLN 43 1HE2
7 A GLN 43 2HE2
7 A GLN 45 1HE2
7 A GLN 45 2HE2
7 A ASN 49 1HD2
7 A ASN 49 2HD2
7 A GLN 57 1HE2
7 A GLN 57 2HE2
7 A ASN 64 1HD2
7 A ASN 64 2HD2
7 B ASN 13 1HD2
7 B ASN 13 2HD2
7 B GLN 16 1HE2
7 B GLN 16 2HE2
7 B ASN 21 1HD2
7 B ASN 21 2HD2
7 B GLN 22 1HE2
7 B GLN 22 2HE2
7 B ASN 31 1HD2
7 B ASN 31 2HD2
7 B GLN 43 1HE2
7 B GLN 43 2HE2
7 B GLN 45 1HE2
7 B GLN 45 2HE2
7 B ASN 49 1HD2
7 B ASN 49 2HD2
7 B GLN 57 1HE2
7 B GLN 57 2HE2
7 B ASN 64 1HD2
7 B ASN 64 2HD2
8 A ASN 13 1HD2
8 A ASN 13 2HD2
8 A GLN 16 1HE2
8 A GLN 16 2HE2
8 A ASN 21 1HD2
8 A ASN 21 2HD2
8 A GLN 22 1HE2
8 A GLN 22 2HE2
8 A ASN 31 1HD2
8 A ASN 31 2HD2
8 A GLN 43 1HE2
8 A GLN 43 2HE2
8 A GLN 45 1HE2
8 A GLN 45 2HE2
8 A ASN 49 1HD2
8 A ASN 49 2HD2
8 A GLN 57 1HE2
8 A GLN 57 2HE2
8 A ASN 64 1HD2
8 A ASN 64 2HD2
8 B ASN 13 1HD2
8 B ASN 13 2HD2
8 B GLN 16 1HE2
8 B GLN 16 2HE2
8 B ASN 21 1HD2
8 B ASN 21 2HD2
8 B GLN 22 1HE2
8 B GLN 22 2HE2
8 B ASN 31 1HD2
8 B ASN 31 2HD2
8 B GLN 43 1HE2
8 B GLN 43 2HE2
8 B GLN 45 1HE2
8 B GLN 45 2HE2
8 B ASN 49 1HD2
8 B ASN 49 2HD2
8 B GLN 57 1HE2
8 B GLN 57 2HE2
8 B ASN 64 1HD2
8 B ASN 64 2HD2
9 A ASN 13 1HD2
9 A ASN 13 2HD2
9 A GLN 16 1HE2
9 A GLN 16 2HE2
9 A ASN 21 1HD2
9 A ASN 21 2HD2
9 A GLN 22 1HE2
9 A GLN 22 2HE2
9 A ASN 31 1HD2
9 A ASN 31 2HD2
9 A GLN 43 1HE2
9 A GLN 43 2HE2
9 A GLN 45 1HE2
9 A GLN 45 2HE2
9 A ASN 49 1HD2
9 A ASN 49 2HD2
9 A GLN 57 1HE2
9 A GLN 57 2HE2
9 A ASN 64 1HD2
9 A ASN 64 2HD2
9 B ASN 13 1HD2
9 B ASN 13 2HD2
9 B GLN 16 1HE2
9 B GLN 16 2HE2
9 B ASN 21 1HD2
9 B ASN 21 2HD2
9 B GLN 22 1HE2
9 B GLN 22 2HE2
9 B ASN 31 1HD2
9 B ASN 31 2HD2
9 B GLN 43 1HE2
9 B GLN 43 2HE2
9 B GLN 45 1HE2
9 B GLN 45 2HE2
9 B ASN 49 1HD2
9 B ASN 49 2HD2
9 B GLN 57 1HE2
9 B GLN 57 2HE2
9 B ASN 64 1HD2
9 B ASN 64 2HD2
10 A ASN 13 1HD2
10 A ASN 13 2HD2
10 A GLN 16 1HE2
10 A GLN 16 2HE2
10 A ASN 21 1HD2
10 A ASN 21 2HD2
10 A GLN 22 1HE2
10 A GLN 22 2HE2
10 A ASN 31 1HD2
10 A ASN 31 2HD2
10 A GLN 43 1HE2
10 A GLN 43 2HE2
10 A GLN 45 1HE2
10 A GLN 45 2HE2
10 A ASN 49 1HD2
10 A ASN 49 2HD2
10 A GLN 57 1HE2
10 A GLN 57 2HE2
10 A ASN 64 1HD2
10 A ASN 64 2HD2
10 B ASN 13 1HD2
10 B ASN 13 2HD2
10 B GLN 16 1HE2
10 B GLN 16 2HE2
10 B ASN 21 1HD2
10 B ASN 21 2HD2
10 B GLN 22 1HE2
10 B GLN 22 2HE2
10 B ASN 31 1HD2
10 B ASN 31 2HD2
10 B GLN 43 1HE2
10 B GLN 43 2HE2
10 B GLN 45 1HE2
10 B GLN 45 2HE2
10 B ASN 49 1HD2
10 B ASN 49 2HD2
10 B GLN 57 1HE2
10 B GLN 57 2HE2
10 B ASN 64 1HD2
10 B ASN 64 2HD2
11 A ASN 13 1HD2
11 A ASN 13 2HD2
11 A GLN 16 1HE2
11 A GLN 16 2HE2
11 A ASN 21 1HD2
11 A ASN 21 2HD2
11 A GLN 22 1HE2
11 A GLN 22 2HE2
11 A ASN 31 1HD2
11 A ASN 31 2HD2
11 A GLN 43 1HE2
11 A GLN 43 2HE2
11 A GLN 45 1HE2
11 A GLN 45 2HE2
11 A ASN 49 1HD2
11 A ASN 49 2HD2
11 A GLN 57 1HE2
11 A GLN 57 2HE2
11 A ASN 64 1HD2
11 A ASN 64 2HD2
11 B ASN 13 1HD2
11 B ASN 13 2HD2
11 B GLN 16 1HE2
11 B GLN 16 2HE2
11 B ASN 21 1HD2
11 B ASN 21 2HD2
11 B GLN 22 1HE2
11 B GLN 22 2HE2
11 B ASN 31 1HD2
11 B ASN 31 2HD2
11 B GLN 43 1HE2
11 B GLN 43 2HE2
11 B GLN 45 1HE2
11 B GLN 45 2HE2
11 B ASN 49 1HD2
11 B ASN 49 2HD2
11 B GLN 57 1HE2
11 B GLN 57 2HE2
11 B ASN 64 1HD2
11 B ASN 64 2HD2
12 A ASN 13 1HD2
12 A ASN 13 2HD2
12 A GLN 16 1HE2
12 A GLN 16 2HE2
12 A ASN 21 1HD2
12 A ASN 21 2HD2
12 A GLN 22 1HE2
12 A GLN 22 2HE2
12 A ASN 31 1HD2
12 A ASN 31 2HD2
12 A GLN 43 1HE2
12 A GLN 43 2HE2
12 A GLN 45 1HE2
12 A GLN 45 2HE2
12 A ASN 49 1HD2
12 A ASN 49 2HD2
12 A GLN 57 1HE2
12 A GLN 57 2HE2
12 A ASN 64 1HD2
12 A ASN 64 2HD2
12 B ASN 13 1HD2
12 B ASN 13 2HD2
12 B GLN 16 1HE2
12 B GLN 16 2HE2
12 B ASN 21 1HD2
12 B ASN 21 2HD2
12 B GLN 22 1HE2
12 B GLN 22 2HE2
12 B ASN 31 1HD2
12 B ASN 31 2HD2
12 B GLN 43 1HE2
12 B GLN 43 2HE2
12 B GLN 45 1HE2
12 B GLN 45 2HE2
12 B ASN 49 1HD2
12 B ASN 49 2HD2
12 B GLN 57 1HE2
12 B GLN 57 2HE2
12 B ASN 64 1HD2
12 B ASN 64 2HD2
13 A ASN 13 1HD2
13 A ASN 13 2HD2
13 A GLN 16 1HE2
13 A GLN 16 2HE2
13 A ASN 21 1HD2
13 A ASN 21 2HD2
13 A GLN 22 1HE2
13 A GLN 22 2HE2
13 A ASN 31 1HD2
13 A ASN 31 2HD2
13 A GLN 43 1HE2
13 A GLN 43 2HE2
13 A GLN 45 1HE2
13 A GLN 45 2HE2
13 A ASN 49 1HD2
13 A ASN 49 2HD2
13 A GLN 57 1HE2
13 A GLN 57 2HE2
13 A ASN 64 1HD2
13 A ASN 64 2HD2
13 B ASN 13 1HD2
13 B ASN 13 2HD2
13 B GLN 16 1HE2
13 B GLN 16 2HE2
13 B ASN 21 1HD2
13 B ASN 21 2HD2
13 B GLN 22 1HE2
13 B GLN 22 2HE2
13 B ASN 31 1HD2
13 B ASN 31 2HD2
13 B GLN 43 1HE2
13 B GLN 43 2HE2
13 B GLN 45 1HE2
13 B GLN 45 2HE2
13 B ASN 49 1HD2
13 B ASN 49 2HD2
13 B GLN 57 1HE2
13 B GLN 57 2HE2
13 B ASN 64 1HD2
13 B ASN 64 2HD2
14 A ASN 13 1HD2
14 A ASN 13 2HD2
14 A GLN 16 1HE2
14 A GLN 16 2HE2
14 A ASN 21 1HD2
14 A ASN 21 2HD2
14 A GLN 22 1HE2
14 A GLN 22 2HE2
14 A ASN 31 1HD2
14 A ASN 31 2HD2
14 A GLN 43 1HE2
14 A GLN 43 2HE2
14 A GLN 45 1HE2
14 A GLN 45 2HE2
14 A ASN 49 1HD2
14 A ASN 49 2HD2
14 A GLN 57 1HE2
14 A GLN 57 2HE2
14 A ASN 64 1HD2
14 A ASN 64 2HD2
14 B ASN 13 1HD2
14 B ASN 13 2HD2
14 B GLN 16 1HE2
14 B GLN 16 2HE2
14 B ASN 21 1HD2
14 B ASN 21 2HD2
14 B GLN 22 1HE2
14 B GLN 22 2HE2
14 B ASN 31 1HD2
14 B ASN 31 2HD2
14 B GLN 43 1HE2
14 B GLN 43 2HE2
14 B GLN 45 1HE2
14 B GLN 45 2HE2
14 B ASN 49 1HD2
14 B ASN 49 2HD2
14 B GLN 57 1HE2
14 B GLN 57 2HE2
14 B ASN 64 1HD2
14 B ASN 64 2HD2
15 A ASN 13 1HD2
15 A ASN 13 2HD2
15 A GLN 16 1HE2
15 A GLN 16 2HE2
15 A ASN 21 1HD2
15 A ASN 21 2HD2
15 A GLN 22 1HE2
15 A GLN 22 2HE2
15 A ASN 31 1HD2
15 A ASN 31 2HD2
15 A GLN 43 1HE2
15 A GLN 43 2HE2
15 A GLN 45 1HE2
15 A GLN 45 2HE2
15 A ASN 49 1HD2
15 A ASN 49 2HD2
15 A GLN 57 1HE2
15 A GLN 57 2HE2
15 A ASN 64 1HD2
15 A ASN 64 2HD2
15 B ASN 13 1HD2
15 B ASN 13 2HD2
15 B GLN 16 1HE2
15 B GLN 16 2HE2
15 B ASN 21 1HD2
15 B ASN 21 2HD2
15 B GLN 22 1HE2
15 B GLN 22 2HE2
15 B ASN 31 1HD2
15 B ASN 31 2HD2
15 B GLN 43 1HE2
15 B GLN 43 2HE2
15 B GLN 45 1HE2
15 B GLN 45 2HE2
15 B ASN 49 1HD2
15 B ASN 49 2HD2
15 B GLN 57 1HE2
15 B GLN 57 2HE2
15 B ASN 64 1HD2
15 B ASN 64 2HD2
16 A ASN 13 1HD2
16 A ASN 13 2HD2
16 A GLN 16 1HE2
16 A GLN 16 2HE2
16 A ASN 21 1HD2
16 A ASN 21 2HD2
16 A GLN 22 1HE2
16 A GLN 22 2HE2
16 A ASN 31 1HD2
16 A ASN 31 2HD2
16 A GLN 43 1HE2
16 A GLN 43 2HE2
16 A GLN 45 1HE2
16 A GLN 45 2HE2
16 A ASN 49 1HD2
16 A ASN 49 2HD2
16 A GLN 57 1HE2
16 A GLN 57 2HE2
16 A ASN 64 1HD2
16 A ASN 64 2HD2
16 B ASN 13 1HD2
16 B ASN 13 2HD2
16 B GLN 16 1HE2
16 B GLN 16 2HE2
16 B ASN 21 1HD2
16 B ASN 21 2HD2
16 B GLN 22 1HE2
16 B GLN 22 2HE2
16 B ASN 31 1HD2
16 B ASN 31 2HD2
16 B GLN 43 1HE2
16 B GLN 43 2HE2
16 B GLN 45 1HE2
16 B GLN 45 2HE2
16 B ASN 49 1HD2
16 B ASN 49 2HD2
16 B GLN 57 1HE2
16 B GLN 57 2HE2
16 B ASN 64 1HD2
16 B ASN 64 2HD2
17 A ASN 13 1HD2
17 A ASN 13 2HD2
17 A GLN 16 1HE2
17 A GLN 16 2HE2
17 A ASN 21 1HD2
17 A ASN 21 2HD2
17 A GLN 22 1HE2
17 A GLN 22 2HE2
17 A ASN 31 1HD2
17 A ASN 31 2HD2
17 A GLN 43 1HE2
17 A GLN 43 2HE2
17 A GLN 45 1HE2
17 A GLN 45 2HE2
17 A ASN 49 1HD2
17 A ASN 49 2HD2
17 A GLN 57 1HE2
17 A GLN 57 2HE2
17 A ASN 64 1HD2
17 A ASN 64 2HD2
17 B ASN 13 1HD2
17 B ASN 13 2HD2
17 B GLN 16 1HE2
17 B GLN 16 2HE2
17 B ASN 21 1HD2
17 B ASN 21 2HD2
17 B GLN 22 1HE2
17 B GLN 22 2HE2
17 B ASN 31 1HD2
17 B ASN 31 2HD2
17 B GLN 43 1HE2
17 B GLN 43 2HE2
17 B GLN 45 1HE2
17 B GLN 45 2HE2
17 B ASN 49 1HD2
17 B ASN 49 2HD2
17 B GLN 57 1HE2
17 B GLN 57 2HE2
17 B ASN 64 1HD2
17 B ASN 64 2HD2
18 A ASN 13 1HD2
18 A ASN 13 2HD2
18 A GLN 16 1HE2
18 A GLN 16 2HE2
18 A ASN 21 1HD2
18 A ASN 21 2HD2
18 A GLN 22 1HE2
18 A GLN 22 2HE2
18 A ASN 31 1HD2
18 A ASN 31 2HD2
18 A GLN 43 1HE2
18 A GLN 43 2HE2
18 A GLN 45 1HE2
18 A GLN 45 2HE2
18 A ASN 49 1HD2
18 A ASN 49 2HD2
18 A GLN 57 1HE2
18 A GLN 57 2HE2
18 A ASN 64 1HD2
18 A ASN 64 2HD2
18 B ASN 13 1HD2
18 B ASN 13 2HD2
18 B GLN 16 1HE2
18 B GLN 16 2HE2
18 B ASN 21 1HD2
18 B ASN 21 2HD2
18 B GLN 22 1HE2
18 B GLN 22 2HE2
18 B ASN 31 1HD2
18 B ASN 31 2HD2
18 B GLN 43 1HE2
18 B GLN 43 2HE2
18 B GLN 45 1HE2
18 B GLN 45 2HE2
18 B ASN 49 1HD2
18 B ASN 49 2HD2
18 B GLN 57 1HE2
18 B GLN 57 2HE2
18 B ASN 64 1HD2
18 B ASN 64 2HD2
19 A ASN 13 1HD2
19 A ASN 13 2HD2
19 A GLN 16 1HE2
19 A GLN 16 2HE2
19 A ASN 21 1HD2
19 A ASN 21 2HD2
19 A GLN 22 1HE2
19 A GLN 22 2HE2
19 A ASN 31 1HD2
19 A ASN 31 2HD2
19 A GLN 43 1HE2
19 A GLN 43 2HE2
19 A GLN 45 1HE2
19 A GLN 45 2HE2
19 A ASN 49 1HD2
19 A ASN 49 2HD2
19 A GLN 57 1HE2
19 A GLN 57 2HE2
19 A ASN 64 1HD2
19 A ASN 64 2HD2
19 B ASN 13 1HD2
19 B ASN 13 2HD2
19 B GLN 16 1HE2
19 B GLN 16 2HE2
19 B ASN 21 1HD2
19 B ASN 21 2HD2
19 B GLN 22 1HE2
19 B GLN 22 2HE2
19 B ASN 31 1HD2
19 B ASN 31 2HD2
19 B GLN 43 1HE2
19 B GLN 43 2HE2
19 B GLN 45 1HE2
19 B GLN 45 2HE2
19 B ASN 49 1HD2
19 B ASN 49 2HD2
19 B GLN 57 1HE2
19 B GLN 57 2HE2
19 B ASN 64 1HD2
19 B ASN 64 2HD2
20 A ASN 13 1HD2
20 A ASN 13 2HD2
20 A GLN 16 1HE2
20 A GLN 16 2HE2
20 A ASN 21 1HD2
20 A ASN 21 2HD2
20 A GLN 22 1HE2
20 A GLN 22 2HE2
20 A ASN 31 1HD2
20 A ASN 31 2HD2
20 A GLN 43 1HE2
20 A GLN 43 2HE2
20 A GLN 45 1HE2
20 A GLN 45 2HE2
20 A ASN 49 1HD2
20 A ASN 49 2HD2
20 A GLN 57 1HE2
20 A GLN 57 2HE2
20 A ASN 64 1HD2
20 A ASN 64 2HD2
20 B ASN 13 1HD2
20 B ASN 13 2HD2
20 B GLN 16 1HE2
20 B GLN 16 2HE2
20 B ASN 21 1HD2
20 B ASN 21 2HD2
20 B GLN 22 1HE2
20 B GLN 22 2HE2
20 B ASN 31 1HD2
20 B ASN 31 2HD2
20 B GLN 43 1HE2
20 B GLN 43 2HE2
20 B GLN 45 1HE2
20 B GLN 45 2HE2
20 B ASN 49 1HD2
20 B ASN 49 2HD2
20 B GLN 57 1HE2
20 B GLN 57 2HE2
20 B ASN 64 1HD2
20 B ASN 64 2HD2
OTHER IMPORTANT ISSUES
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
GLU( 1 A 3) HE2
GLU( 1 A 12) HE2
HIS( 1 A 17) HD1
GLU( 1 A 19) HE2
GLU( 1 A 24) HE2
ASP( 1 A 25) HD2
HIS( 1 A 28) HE2
ASP( 1 A 44) HD2
HIS( 1 A 58) HE2
ASP( 1 A 60) HD2
GLU( 1 A 61) HE2
GLU( 1 A 70) HE2
GLU( 1 A 74) HE2
HIS( 1 A 75) HD1
HIS( 1 A 76) HE2
HIS( 1 A 77) HD1
HIS( 1 A 78) HD1
HIS( 1 A 79) HD1
HIS( 1 A 80) HD1
GLU( 1 B 3) HE2
GLU( 1 B 12) HE2
HIS( 1 B 17) HD1
GLU( 1 B 19) HE2
GLU( 1 B 24) HE2
ASP( 1 B 25) HD2
HIS( 1 B 28) HE2
ASP( 1 B 44) HD2
HIS( 1 B 58) HE2
ASP( 1 B 60) HD2
GLU( 1 B 61) HE2
GLU( 1 B 70) HE2
GLU( 1 B 74) HE2
HIS( 1 B 75) HD1
HIS( 1 B 76) HE2
HIS( 1 B 77) HD1
HIS( 1 B 78) HD1
HIS( 1 B 79) HD1
HIS( 1 B 80) HD1
GLU( 2 A 3) HE2
GLU( 2 A 12) HE2
HIS( 2 A 17) HD1
GLU( 2 A 19) HE2
GLU( 2 A 24) HE2
ASP( 2 A 25) HD2
HIS( 2 A 28) HD1
ASP( 2 A 44) HD2
HIS( 2 A 58) HD1
ASP( 2 A 60) HD2
GLU( 2 A 61) HE2
GLU( 2 A 70) HE2
GLU( 2 A 74) HE2
HIS( 2 A 75) HE2
HIS( 2 A 76) HD1
HIS( 2 A 77) HD1
HIS( 2 A 78) HD1
HIS( 2 A 79) HE2
HIS( 2 A 80) HD1
GLU( 2 B 3) HE2
GLU( 2 B 12) HE2
HIS( 2 B 17) HD1
GLU( 2 B 19) HE2
GLU( 2 B 24) HE2
ASP( 2 B 25) HD2
HIS( 2 B 28) HD1
ASP( 2 B 44) HD2
HIS( 2 B 58) HD1
ASP( 2 B 60) HD2
GLU( 2 B 61) HE2
GLU( 2 B 70) HE2
GLU( 2 B 74) HE2
HIS( 2 B 75) HE2
HIS( 2 B 76) HD1
HIS( 2 B 77) HD1
HIS( 2 B 78) HD1
HIS( 2 B 79) HE2
HIS( 2 B 80) HD1
GLU( 3 A 3) HE2
GLU( 3 A 12) HE2
HIS( 3 A 17) HD1
GLU( 3 A 19) HE2
GLU( 3 A 24) HE2
ASP( 3 A 25) HD2
HIS( 3 A 28) HD1
ASP( 3 A 44) HD2
HIS( 3 A 58) HE2
ASP( 3 A 60) HD2
GLU( 3 A 61) HE2
GLU( 3 A 70) HE2
GLU( 3 A 74) HE2
HIS( 3 A 75) HE2
HIS( 3 A 76) HE2
HIS( 3 A 77) HE2
HIS( 3 A 78) HE2
HIS( 3 A 79) HE2
HIS( 3 A 80) HD1
GLU( 3 B 3) HE2
GLU( 3 B 12) HE2
HIS( 3 B 17) HD1
GLU( 3 B 19) HE2
GLU( 3 B 24) HE2
ASP( 3 B 25) HD2
HIS( 3 B 28) HD1
ASP( 3 B 44) HD2
HIS( 3 B 58) HE2
ASP( 3 B 60) HD2
GLU( 3 B 61) HE2
GLU( 3 B 70) HE2
GLU( 3 B 74) HE2
HIS( 3 B 75) HE2
HIS( 3 B 76) HE2
HIS( 3 B 77) HE2
HIS( 3 B 78) HE2
HIS( 3 B 79) HE2
HIS( 3 B 80) HD1
GLU( 4 A 3) HE2
GLU( 4 A 12) HE2
HIS( 4 A 17) HD1
GLU( 4 A 19) HE2
GLU( 4 A 24) HE2
ASP( 4 A 25) HD2
HIS( 4 A 28) HD1
ASP( 4 A 44) HD2
HIS( 4 A 58) HE2
ASP( 4 A 60) HD2
GLU( 4 A 61) HE2
GLU( 4 A 70) HE2
GLU( 4 A 74) HE2
HIS( 4 A 75) HD1
HIS( 4 A 76) HD1
HIS( 4 A 77) HE2
HIS( 4 A 78) HE2
HIS( 4 A 79) HD1
HIS( 4 A 80) HD1
GLU( 4 B 3) HE2
GLU( 4 B 12) HE2
HIS( 4 B 17) HD1
GLU( 4 B 19) HE2
GLU( 4 B 24) HE2
ASP( 4 B 25) HD2
HIS( 4 B 28) HD1
ASP( 4 B 44) HD2
HIS( 4 B 58) HE2
ASP( 4 B 60) HD2
GLU( 4 B 61) HE2
GLU( 4 B 70) HE2
GLU( 4 B 74) HE2
HIS( 4 B 75) HD1
HIS( 4 B 76) HD1
HIS( 4 B 77) HE2
HIS( 4 B 78) HE2
HIS( 4 B 79) HD1
HIS( 4 B 80) HD1
GLU( 5 A 3) HE2
GLU( 5 A 12) HE2
HIS( 5 A 17) HD1
GLU( 5 A 19) HE2
GLU( 5 A 24) HE2
ASP( 5 A 25) HD2
HIS( 5 A 28) HD1
ASP( 5 A 44) HD2
HIS( 5 A 58) HE2
ASP( 5 A 60) HD2
GLU( 5 A 61) HE2
GLU( 5 A 70) HE2
GLU( 5 A 74) HE2
HIS( 5 A 75) HE2
HIS( 5 A 76) HE2
HIS( 5 A 77) HD1
HIS( 5 A 78) HE2
HIS( 5 A 79) HE2
HIS( 5 A 80) HD1
GLU( 5 B 3) HE2
GLU( 5 B 12) HE2
HIS( 5 B 17) HD1
GLU( 5 B 19) HE2
GLU( 5 B 24) HE2
ASP( 5 B 25) HD2
HIS( 5 B 28) HD1
ASP( 5 B 44) HD2
HIS( 5 B 58) HE2
ASP( 5 B 60) HD2
GLU( 5 B 61) HE2
GLU( 5 B 70) HE2
GLU( 5 B 74) HE2
HIS( 5 B 75) HE2
HIS( 5 B 76) HE2
HIS( 5 B 77) HD1
HIS( 5 B 78) HE2
HIS( 5 B 79) HE2
HIS( 5 B 80) HD1
GLU( 6 A 3) HE2
GLU( 6 A 12) HE2
HIS( 6 A 17) HE2
GLU( 6 A 19) HE2
GLU( 6 A 24) HE2
ASP( 6 A 25) HD2
HIS( 6 A 28) HD1
ASP( 6 A 44) HD2
HIS( 6 A 58) HE2
ASP( 6 A 60) HD2
GLU( 6 A 61) HE2
GLU( 6 A 70) HE2
GLU( 6 A 74) HE2
HIS( 6 A 75) HE2
HIS( 6 A 76) HD1
HIS( 6 A 77) HD1
HIS( 6 A 78) HD1
HIS( 6 A 79) HE2
HIS( 6 A 80) HD1
GLU( 6 B 3) HE2
GLU( 6 B 12) HE2
HIS( 6 B 17) HE2
GLU( 6 B 19) HE2
GLU( 6 B 24) HE2
ASP( 6 B 25) HD2
HIS( 6 B 28) HD1
ASP( 6 B 44) HD2
HIS( 6 B 58) HE2
ASP( 6 B 60) HD2
GLU( 6 B 61) HE2
GLU( 6 B 70) HE2
GLU( 6 B 74) HE2
HIS( 6 B 75) HE2
HIS( 6 B 76) HD1
HIS( 6 B 77) HD1
HIS( 6 B 78) HD1
HIS( 6 B 79) HE2
HIS( 6 B 80) HD1
GLU( 7 A 3) HE2
GLU( 7 A 12) HE2
HIS( 7 A 17) HD1
GLU( 7 A 19) HE2
GLU( 7 A 24) HE2
ASP( 7 A 25) HD2
HIS( 7 A 28) HD1
ASP( 7 A 44) HD2
HIS( 7 A 58) HE2
ASP( 7 A 60) HD2
GLU( 7 A 61) HE2
GLU( 7 A 70) HE2
GLU( 7 A 74) HE2
HIS( 7 A 75) HD1
HIS( 7 A 76) HD1
HIS( 7 A 77) HD1
HIS( 7 A 78) HD1
HIS( 7 A 79) HE2
HIS( 7 A 80) HD1
GLU( 7 B 3) HE2
GLU( 7 B 12) HE2
HIS( 7 B 17) HD1
GLU( 7 B 19) HE2
GLU( 7 B 24) HE2
ASP( 7 B 25) HD2
HIS( 7 B 28) HD1
ASP( 7 B 44) HD2
HIS( 7 B 58) HE2
ASP( 7 B 60) HD2
GLU( 7 B 61) HE2
GLU( 7 B 70) HE2
GLU( 7 B 74) HE2
HIS( 7 B 75) HD1
HIS( 7 B 76) HD1
HIS( 7 B 77) HD1
HIS( 7 B 78) HD1
HIS( 7 B 79) HE2
HIS( 7 B 80) HD1
GLU( 8 A 3) HE2
GLU( 8 A 12) HE2
HIS( 8 A 17) HD1
GLU( 8 A 19) HE2
GLU( 8 A 24) HE2
ASP( 8 A 25) HD2
HIS( 8 A 28) HE2
ASP( 8 A 44) HD2
HIS( 8 A 58) HE2
ASP( 8 A 60) HD2
GLU( 8 A 61) HE2
GLU( 8 A 70) HE2
GLU( 8 A 74) HE2
HIS( 8 A 75) HD1
HIS( 8 A 76) HD1
HIS( 8 A 77) HD1
HIS( 8 A 78) HE2
HIS( 8 A 79) HD1
HIS( 8 A 80) HD1
GLU( 8 B 3) HE2
GLU( 8 B 12) HE2
HIS( 8 B 17) HD1
GLU( 8 B 19) HE2
GLU( 8 B 24) HE2
ASP( 8 B 25) HD2
HIS( 8 B 28) HE2
ASP( 8 B 44) HD2
HIS( 8 B 58) HE2
ASP( 8 B 60) HD2
GLU( 8 B 61) HE2
GLU( 8 B 70) HE2
GLU( 8 B 74) HE2
HIS( 8 B 75) HD1
HIS( 8 B 76) HD1
HIS( 8 B 77) HD1
HIS( 8 B 78) HE2
HIS( 8 B 79) HD1
HIS( 8 B 80) HD1
GLU( 9 A 3) HE2
GLU( 9 A 12) HE2
HIS( 9 A 17) HE2
GLU( 9 A 19) HE2
GLU( 9 A 24) HE2
ASP( 9 A 25) HD2
HIS( 9 A 28) HD1
ASP( 9 A 44) HD2
HIS( 9 A 58) HE2
ASP( 9 A 60) HD2
GLU( 9 A 61) HE2
GLU( 9 A 70) HE2
GLU( 9 A 74) HE2
HIS( 9 A 75) HE2
HIS( 9 A 76) HE2
HIS( 9 A 77) HE2
HIS( 9 A 78) HE2
HIS( 9 A 79) HE2
HIS( 9 A 80) HD1
GLU( 9 B 3) HE2
GLU( 9 B 12) HE2
HIS( 9 B 17) HE2
GLU( 9 B 19) HE2
GLU( 9 B 24) HE2
ASP( 9 B 25) HD2
HIS( 9 B 28) HD1
ASP( 9 B 44) HD2
HIS( 9 B 58) HE2
ASP( 9 B 60) HD2
GLU( 9 B 61) HE2
GLU( 9 B 70) HE2
GLU( 9 B 74) HE2
HIS( 9 B 75) HE2
HIS( 9 B 76) HE2
HIS( 9 B 77) HE2
HIS( 9 B 78) HE2
HIS( 9 B 79) HE2
HIS( 9 B 80) HD1
GLU( 10 A 3) HE2
GLU( 10 A 12) HE2
HIS( 10 A 17) HE2
GLU( 10 A 19) HE2
GLU( 10 A 24) HE2
ASP( 10 A 25) HD2
HIS( 10 A 28) HD1
ASP( 10 A 44) HD2
HIS( 10 A 58) HE2
ASP( 10 A 60) HD2
GLU( 10 A 61) HE2
GLU( 10 A 70) HE2
GLU( 10 A 74) HE2
HIS( 10 A 75) HE2
HIS( 10 A 76) HD1
HIS( 10 A 77) HD1
HIS( 10 A 78) HD1
HIS( 10 A 79) HD1
HIS( 10 A 80) HD1
GLU( 10 B 3) HE2
GLU( 10 B 12) HE2
HIS( 10 B 17) HE2
GLU( 10 B 19) HE2
GLU( 10 B 24) HE2
ASP( 10 B 25) HD2
HIS( 10 B 28) HD1
ASP( 10 B 44) HD2
HIS( 10 B 58) HE2
ASP( 10 B 60) HD2
GLU( 10 B 61) HE2
GLU( 10 B 70) HE2
GLU( 10 B 74) HE2
HIS( 10 B 75) HE2
HIS( 10 B 76) HD1
HIS( 10 B 77) HD1
HIS( 10 B 78) HD1
HIS( 10 B 79) HD1
HIS( 10 B 80) HD1
GLU( 11 A 3) HE2
GLU( 11 A 12) HE2
HIS( 11 A 17) HD1
GLU( 11 A 19) HE2
GLU( 11 A 24) HE2
ASP( 11 A 25) HD2
HIS( 11 A 28) HD1
ASP( 11 A 44) HD2
HIS( 11 A 58) HE2
ASP( 11 A 60) HD2
GLU( 11 A 61) HE2
GLU( 11 A 70) HE2
GLU( 11 A 74) HE2
HIS( 11 A 75) HD1
HIS( 11 A 76) HE2
HIS( 11 A 77) HE2
HIS( 11 A 78) HE2
HIS( 11 A 79) HE2
HIS( 11 A 80) HD1
GLU( 11 B 3) HE2
GLU( 11 B 12) HE2
HIS( 11 B 17) HD1
GLU( 11 B 19) HE2
GLU( 11 B 24) HE2
ASP( 11 B 25) HD2
HIS( 11 B 28) HD1
ASP( 11 B 44) HD2
HIS( 11 B 58) HE2
ASP( 11 B 60) HD2
GLU( 11 B 61) HE2
GLU( 11 B 70) HE2
GLU( 11 B 74) HE2
HIS( 11 B 75) HD1
HIS( 11 B 76) HE2
HIS( 11 B 77) HE2
HIS( 11 B 78) HE2
HIS( 11 B 79) HE2
HIS( 11 B 80) HD1
GLU( 12 A 3) HE2
GLU( 12 A 12) HE2
HIS( 12 A 17) HD1
GLU( 12 A 19) HE2
GLU( 12 A 24) HE2
ASP( 12 A 25) HD2
HIS( 12 A 28) HD1
ASP( 12 A 44) HD2
HIS( 12 A 58) HE2
ASP( 12 A 60) HD2
GLU( 12 A 61) HE2
GLU( 12 A 70) HE2
GLU( 12 A 74) HE2
HIS( 12 A 75) HE2
HIS( 12 A 76) HE2
HIS( 12 A 77) HD1
HIS( 12 A 78) HD1
HIS( 12 A 79) HE2
HIS( 12 A 80) HD1
GLU( 12 B 3) HE2
GLU( 12 B 12) HE2
HIS( 12 B 17) HD1
GLU( 12 B 19) HE2
GLU( 12 B 24) HE2
ASP( 12 B 25) HD2
HIS( 12 B 28) HD1
ASP( 12 B 44) HD2
HIS( 12 B 58) HE2
ASP( 12 B 60) HD2
GLU( 12 B 61) HE2
GLU( 12 B 70) HE2
GLU( 12 B 74) HE2
HIS( 12 B 75) HE2
HIS( 12 B 76) HE2
HIS( 12 B 77) HD1
HIS( 12 B 78) HD1
HIS( 12 B 79) HE2
HIS( 12 B 80) HD1
GLU( 13 A 3) HE2
GLU( 13 A 12) HE2
HIS( 13 A 17) HD1
GLU( 13 A 19) HE2
GLU( 13 A 24) HE2
ASP( 13 A 25) HD2
HIS( 13 A 28) HD1
ASP( 13 A 44) HD2
HIS( 13 A 58) HE2
ASP( 13 A 60) HD2
GLU( 13 A 61) HE2
GLU( 13 A 70) HE2
GLU( 13 A 74) HE2
HIS( 13 A 75) HD1
HIS( 13 A 76) HE2
HIS( 13 A 77) HE2
HIS( 13 A 78) HD1
HIS( 13 A 79) HE2
HIS( 13 A 80) HE2
GLU( 13 B 3) HE2
GLU( 13 B 12) HE2
HIS( 13 B 17) HD1
GLU( 13 B 19) HE2
GLU( 13 B 24) HE2
ASP( 13 B 25) HD2
HIS( 13 B 28) HD1
ASP( 13 B 44) HD2
HIS( 13 B 58) HE2
ASP( 13 B 60) HD2
GLU( 13 B 61) HE2
GLU( 13 B 70) HE2
GLU( 13 B 74) HE2
HIS( 13 B 75) HD1
HIS( 13 B 76) HE2
HIS( 13 B 77) HE2
HIS( 13 B 78) HD1
HIS( 13 B 79) HE2
HIS( 13 B 80) HE2
GLU( 14 A 3) HE2
GLU( 14 A 12) HE2
HIS( 14 A 17) HD1
GLU( 14 A 19) HE2
GLU( 14 A 24) HE2
ASP( 14 A 25) HD2
HIS( 14 A 28) HD1
ASP( 14 A 44) HD2
HIS( 14 A 58) HE2
ASP( 14 A 60) HD2
GLU( 14 A 61) HE2
GLU( 14 A 70) HE2
GLU( 14 A 74) HE2
HIS( 14 A 75) HD1
HIS( 14 A 76) HE2
HIS( 14 A 77) HE2
HIS( 14 A 78) HE2
HIS( 14 A 79) HE2
HIS( 14 A 80) HD1
GLU( 14 B 3) HE2
GLU( 14 B 12) HE2
HIS( 14 B 17) HD1
GLU( 14 B 19) HE2
GLU( 14 B 24) HE2
ASP( 14 B 25) HD2
HIS( 14 B 28) HD1
ASP( 14 B 44) HD2
HIS( 14 B 58) HE2
ASP( 14 B 60) HD2
GLU( 14 B 61) HE2
GLU( 14 B 70) HE2
GLU( 14 B 74) HE2
HIS( 14 B 75) HD1
HIS( 14 B 76) HE2
HIS( 14 B 77) HE2
HIS( 14 B 78) HE2
HIS( 14 B 79) HE2
HIS( 14 B 80) HD1
GLU( 15 A 3) HE2
GLU( 15 A 12) HE2
HIS( 15 A 17) HD1
GLU( 15 A 19) HE2
GLU( 15 A 24) HE2
ASP( 15 A 25) HD2
HIS( 15 A 28) HE2
ASP( 15 A 44) HD2
HIS( 15 A 58) HE2
ASP( 15 A 60) HD2
GLU( 15 A 61) HE2
GLU( 15 A 70) HE2
GLU( 15 A 74) HE2
HIS( 15 A 75) HE2
HIS( 15 A 76) HE2
HIS( 15 A 77) HE2
HIS( 15 A 78) HD1
HIS( 15 A 79) HE2
HIS( 15 A 80) HE2
GLU( 15 B 3) HE2
GLU( 15 B 12) HE2
HIS( 15 B 17) HD1
GLU( 15 B 19) HE2
GLU( 15 B 24) HE2
ASP( 15 B 25) HD2
HIS( 15 B 28) HE2
ASP( 15 B 44) HD2
HIS( 15 B 58) HE2
ASP( 15 B 60) HD2
GLU( 15 B 61) HE2
GLU( 15 B 70) HE2
GLU( 15 B 74) HE2
HIS( 15 B 75) HE2
HIS( 15 B 76) HE2
HIS( 15 B 77) HE2
HIS( 15 B 78) HD1
HIS( 15 B 79) HE2
HIS( 15 B 80) HE2
GLU( 16 A 3) HE2
GLU( 16 A 12) HE2
HIS( 16 A 17) HD1
GLU( 16 A 19) HE2
GLU( 16 A 24) HE2
ASP( 16 A 25) HD2
HIS( 16 A 28) HD1
ASP( 16 A 44) HD2
HIS( 16 A 58) HE2
ASP( 16 A 60) HD2
GLU( 16 A 61) HE2
GLU( 16 A 70) HE2
GLU( 16 A 74) HE2
HIS( 16 A 75) HD1
HIS( 16 A 76) HE2
HIS( 16 A 77) HD1
HIS( 16 A 78) HE2
HIS( 16 A 79) HE2
HIS( 16 A 80) HE2
GLU( 16 B 3) HE2
GLU( 16 B 12) HE2
HIS( 16 B 17) HD1
GLU( 16 B 19) HE2
GLU( 16 B 24) HE2
ASP( 16 B 25) HD2
HIS( 16 B 28) HD1
ASP( 16 B 44) HD2
HIS( 16 B 58) HE2
ASP( 16 B 60) HD2
GLU( 16 B 61) HE2
GLU( 16 B 70) HE2
GLU( 16 B 74) HE2
HIS( 16 B 75) HD1
HIS( 16 B 76) HE2
HIS( 16 B 77) HD1
HIS( 16 B 78) HE2
HIS( 16 B 79) HE2
HIS( 16 B 80) HE2
GLU( 17 A 3) HE2
GLU( 17 A 12) HE2
HIS( 17 A 17) HE2
GLU( 17 A 19) HE2
GLU( 17 A 24) HE2
ASP( 17 A 25) HD2
HIS( 17 A 28) HD1
ASP( 17 A 44) HD2
HIS( 17 A 58) HD1
ASP( 17 A 60) HD2
GLU( 17 A 61) HE2
GLU( 17 A 70) HE2
GLU( 17 A 74) HE2
HIS( 17 A 75) HD1
HIS( 17 A 76) HD1
HIS( 17 A 77) HE2
HIS( 17 A 78) HE2
HIS( 17 A 79) HE2
HIS( 17 A 80) HD1
GLU( 17 B 3) HE2
GLU( 17 B 12) HE2
HIS( 17 B 17) HE2
GLU( 17 B 19) HE2
GLU( 17 B 24) HE2
ASP( 17 B 25) HD2
HIS( 17 B 28) HD1
ASP( 17 B 44) HD2
HIS( 17 B 58) HD1
ASP( 17 B 60) HD2
GLU( 17 B 61) HE2
GLU( 17 B 70) HE2
GLU( 17 B 74) HE2
HIS( 17 B 75) HD1
HIS( 17 B 76) HD1
HIS( 17 B 77) HE2
HIS( 17 B 78) HE2
HIS( 17 B 79) HE2
HIS( 17 B 80) HD1
GLU( 18 A 3) HE2
GLU( 18 A 12) HE2
HIS( 18 A 17) HD1
GLU( 18 A 19) HE2
GLU( 18 A 24) HE2
ASP( 18 A 25) HD2
HIS( 18 A 28) HD1
ASP( 18 A 44) HD2
HIS( 18 A 58) HD1
ASP( 18 A 60) HD2
GLU( 18 A 61) HE2
GLU( 18 A 70) HE2
GLU( 18 A 74) HE2
HIS( 18 A 75) HE2
HIS( 18 A 76) HD1
HIS( 18 A 77) HD1
HIS( 18 A 78) HD1
HIS( 18 A 79) HD1
HIS( 18 A 80) HD1
GLU( 18 B 3) HE2
GLU( 18 B 12) HE2
HIS( 18 B 17) HD1
GLU( 18 B 19) HE2
GLU( 18 B 24) HE2
ASP( 18 B 25) HD2
HIS( 18 B 28) HD1
ASP( 18 B 44) HD2
HIS( 18 B 58) HD1
ASP( 18 B 60) HD2
GLU( 18 B 61) HE2
GLU( 18 B 70) HE2
GLU( 18 B 74) HE2
HIS( 18 B 75) HE2
HIS( 18 B 76) HD1
HIS( 18 B 77) HD1
HIS( 18 B 78) HD1
HIS( 18 B 79) HD1
HIS( 18 B 80) HD1
GLU( 19 A 3) HE2
GLU( 19 A 12) HE2
HIS( 19 A 17) HE2
GLU( 19 A 19) HE2
GLU( 19 A 24) HE2
ASP( 19 A 25) HD2
HIS( 19 A 28) HD1
ASP( 19 A 44) HD2
HIS( 19 A 58) HE2
ASP( 19 A 60) HD2
GLU( 19 A 61) HE2
GLU( 19 A 70) HE2
GLU( 19 A 74) HE2
HIS( 19 A 75) HE2
HIS( 19 A 76) HD1
HIS( 19 A 77) HD1
HIS( 19 A 78) HE2
HIS( 19 A 79) HE2
HIS( 19 A 80) HE2
GLU( 19 B 3) HE2
GLU( 19 B 12) HE2
HIS( 19 B 17) HE2
GLU( 19 B 19) HE2
GLU( 19 B 24) HE2
ASP( 19 B 25) HD2
HIS( 19 B 28) HD1
ASP( 19 B 44) HD2
HIS( 19 B 58) HE2
ASP( 19 B 60) HD2
GLU( 19 B 61) HE2
GLU( 19 B 70) HE2
GLU( 19 B 74) HE2
HIS( 19 B 75) HE2
HIS( 19 B 76) HD1
HIS( 19 B 77) HD1
HIS( 19 B 78) HE2
HIS( 19 B 79) HE2
HIS( 19 B 80) HE2
GLU( 20 A 3) HE2
GLU( 20 A 12) HE2
HIS( 20 A 17) HD1
GLU( 20 A 19) HE2
GLU( 20 A 24) HE2
ASP( 20 A 25) HD2
HIS( 20 A 28) HD1
ASP( 20 A 44) HD2
HIS( 20 A 58) HD1
ASP( 20 A 60) HD2
GLU( 20 A 61) HE2
GLU( 20 A 70) HE2
GLU( 20 A 74) HE2
HIS( 20 A 75) HE2
HIS( 20 A 76) HD1
HIS( 20 A 77) HE2
HIS( 20 A 78) HE2
HIS( 20 A 79) HD1
HIS( 20 A 80) HD1
GLU( 20 B 3) HE2
GLU( 20 B 12) HE2
HIS( 20 B 17) HD1
GLU( 20 B 19) HE2
GLU( 20 B 24) HE2
ASP( 20 B 25) HD2
HIS( 20 B 28) HD1
ASP( 20 B 44) HD2
HIS( 20 B 58) HD1
ASP( 20 B 60) HD2
GLU( 20 B 61) HE2
GLU( 20 B 70) HE2
GLU( 20 B 74) HE2
HIS( 20 B 75) HE2
HIS( 20 B 76) HD1
HIS( 20 B 77) HE2
HIS( 20 B 78) HE2
HIS( 20 B 79) HD1
HIS( 20 B 80) HD1
==> The following residues have extra atoms:
RES MOD#C SEQ ATOMS
HIS( 1 A 80) O2
HIS( 1 B 80) O2
HIS( 2 A 80) O2
HIS( 2 B 80) O2
HIS( 3 A 80) O2
HIS( 3 B 80) O2
HIS( 4 A 80) O2
HIS( 4 B 80) O2
HIS( 5 A 80) O2
HIS( 5 B 80) O2
HIS( 6 A 80) O2
HIS( 6 B 80) O2
HIS( 7 A 80) O2
HIS( 7 B 80) O2
HIS( 8 A 80) O2
HIS( 8 B 80) O2
HIS( 9 A 80) O2
HIS( 9 B 80) O2
HIS( 10 A 80) O2
HIS( 10 B 80) O2
HIS( 11 A 80) O2
HIS( 11 B 80) O2
HIS( 12 A 80) O2
HIS( 12 B 80) O2
HIS( 13 A 80) O2
HIS( 13 B 80) O2
HIS( 14 A 80) O2
HIS( 14 B 80) O2
HIS( 15 A 80) O2
HIS( 15 B 80) O2
HIS( 16 A 80) O2
HIS( 16 B 80) O2
HIS( 17 A 80) O2
HIS( 17 B 80) O2
HIS( 18 A 80) O2
HIS( 18 B 80) O2
HIS( 19 A 80) O2
HIS( 19 B 80) O2
HIS( 20 A 80) O2
HIS( 20 B 80) O2
SR478_R3_em_bcr3.pdb: Missing KEYWDS records
SR478_R3_em_bcr3.pdb: Missing TITLE record