Detailed results of RPR324_R3_em_bcr3 by PSVS
Output from PDBStat
Constraints analysis
table of NOE constraints
# -------------- SUMMARY OF RESTRAINTS ---------------
# TOTAL NUMBER OF NOE RESTRAINTS : 1792
# INTRA-RESIDUE RESTRAINTS (I=J) : 395
# SEQUENTIAL RESTRAINTS (I-J)=1 : 431
# BACKBONE-BACKBONE : 86
# BACKBONE-SIDE CHAIN : 47
# SIDE CHAIN-SIDE CHAIN : 298
# MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 486
# BACKBONE-BACKBONE : 93
# BACKBONE-SIDE CHAIN : 142
# SIDE CHAIN-SIDE CHAIN : 251
# LONG RANGE RESTRAINTS (I-J)>=5 : 480
# TOTAL HYDROGEN BOND RESTRAINTS : 0
# LONG RANGE H-BOND RESTR. (I-J)>=5 : 0
# DISULFIDE RESTRAINTS : 0
# INTRA-CHAIN RESTRAINTS : 1792
# 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
THR 2 1 3.5 0.0 1.5 2.0 0.0
SER 3 0 2.5 2.0 0.5 0.0 0.0
THR 4 2 14.5 3.5 3.0 8.0 0.0
PHE 5 4 29.0 2.0 7.5 19.5 0.0
ASP 6 0 7.0 2.0 3.0 2.0 0.0
ARG 7 9 14.5 2.5 4.5 7.5 0.0
VAL 8 5 25.5 4.5 8.0 13.0 0.0
ALA 9 1 20.0 6.5 8.5 5.0 0.0
THR 10 3 16.5 7.5 5.0 4.0 0.0
ILE 11 10 21.5 7.0 5.5 9.0 0.0
ILE 12 8 16.5 5.0 4.5 7.0 0.0
ALA 13 1 15.5 5.0 3.5 7.0 0.0
GLU 14 4 7.5 4.0 3.0 0.5 0.0
THR 15 3 13.0 3.0 3.0 7.0 0.0
CYS 16 0 7.5 3.0 4.5 0.0 0.0
ASP 17 0 3.5 2.5 1.0 0.0 0.0
ILE 18 10 18.0 6.0 6.5 5.5 0.0
PRO 19 0 13.0 7.0 5.5 0.5 0.0
ARG 20 10 20.5 4.5 5.0 11.0 0.0
GLU 21 4 11.5 8.0 3.5 0.0 0.0
THR 22 2 13.5 8.0 5.5 0.0 0.0
ILE 23 8 26.0 5.5 7.0 13.5 0.0
THR 24 2 14.5 8.0 3.5 3.0 0.0
PRO 25 0 17.0 7.0 0.5 9.5 0.0
GLU 26 6 10.0 4.5 1.5 4.0 0.0
SER 27 1 11.0 4.0 2.0 5.0 0.0
HIS 28 1 21.5 3.5 9.5 8.5 0.0
ALA 29 0 13.5 4.0 4.0 5.5 0.0
ILE 30 8 14.0 2.5 5.5 6.0 0.0
ASP 31 0 6.0 1.5 4.5 0.0 0.0
ASP 32 0 7.5 5.0 1.5 1.0 0.0
LEU 33 10 21.5 6.5 8.0 7.0 0.0
GLY 34 0 5.5 3.5 1.5 0.5 0.0
ILE 35 9 11.0 2.0 4.0 5.0 0.0
ASP 36 0 8.0 3.5 4.5 0.0 0.0
SER 37 0 9.0 6.5 2.0 0.5 0.0
LEU 38 8 11.0 4.0 7.0 0.0 0.0
ASP 39 0 0.0 0.0 0.0 0.0 0.0
PHE 40 7 23.5 1.5 10.5 11.5 0.0
LEU 41 10 9.5 4.0 3.5 2.0 0.0
ASP 42 0 9.0 5.0 1.5 2.5 0.0
ILE 43 7 25.5 5.5 11.5 8.5 0.0
ALA 44 0 17.0 5.0 5.5 6.5 0.0
PHE 45 4 16.5 5.5 10.5 0.5 0.0
ALA 46 0 12.5 4.5 6.5 1.5 0.0
ILE 47 7 32.0 3.0 15.5 13.5 0.0
ASP 48 1 13.5 4.0 6.5 3.0 0.0
LYS 49 16 13.0 4.5 8.5 0.0 0.0
ALA 50 1 15.5 6.5 6.0 3.0 0.0
PHE 51 6 39.5 6.0 14.5 19.0 0.0
GLY 52 0 7.5 4.5 2.0 1.0 0.0
ILE 53 8 39.5 6.5 10.0 23.0 0.0
LYS 54 10 6.0 5.0 0.0 1.0 0.0
LEU 55 7 21.0 4.0 3.0 14.0 0.0
PRO 56 0 7.0 4.0 2.5 0.5 0.0
LEU 57 7 19.5 4.0 5.0 10.5 0.0
GLU 58 3 7.0 6.0 1.0 0.0 0.0
LYS 59 8 11.0 8.5 2.5 0.0 0.0
TRP 60 2 31.0 8.0 6.0 17.0 0.0
THR 61 2 11.5 5.5 6.0 0.0 0.0
GLN 62 11 11.5 5.5 6.0 0.0 0.0
GLU 63 2 15.0 5.5 3.5 6.0 0.0
VAL 64 5 20.5 6.5 4.5 9.5 0.0
ASN 65 6 12.5 4.5 8.0 0.0 0.0
ASP 66 3 8.0 3.0 5.0 0.0 0.0
GLY 67 0 7.0 4.5 2.5 0.0 0.0
LYS 68 20 11.0 5.5 3.0 2.5 0.0
ALA 69 0 13.0 4.5 3.0 5.5 0.0
THR 70 2 8.5 3.5 3.5 1.5 0.0
THR 71 2 8.5 3.0 1.0 4.5 0.0
GLU 72 3 14.0 4.0 6.0 4.0 0.0
GLN 73 3 11.0 4.0 5.0 2.0 0.0
TYR 74 5 14.5 3.5 0.5 10.5 0.0
PHE 75 2 12.5 4.0 2.0 6.5 0.0
VAL 76 5 23.5 3.5 14.0 6.0 0.0
LEU 77 8 25.0 3.5 2.5 19.0 0.0
LYS 78 9 17.0 4.5 5.0 7.5 0.0
ASN 79 0 15.5 5.5 7.0 3.0 0.0
LEU 80 7 25.0 5.0 9.5 10.5 0.0
ALA 81 1 20.0 4.5 7.0 8.5 0.0
ALA 82 1 11.0 3.0 7.5 0.5 0.0
ARG 83 7 21.5 3.5 5.0 13.0 0.0
ILE 84 8 40.0 5.0 16.5 18.5 0.0
ASP 85 3 12.5 4.5 7.0 1.0 0.0
GLU 86 7 11.0 4.5 6.0 0.5 0.0
LEU 87 10 26.0 6.5 8.0 11.5 0.0
VAL 88 5 30.5 8.5 14.5 7.5 0.0
ALA 89 1 11.0 5.0 5.5 0.5 0.0
ALA 90 1 7.0 2.0 5.0 0.0 0.0
LYS 91 14 18.5 5.5 9.0 4.0 0.0
GLY 92 0 7.5 6.5 1.0 0.0 0.0
ALA 93 1 7.0 4.0 3.0 0.0 0.0
LEU 94 6 5.0 5.0 0.0 0.0 0.0
GLU 95 1 5.5 3.5 2.0 0.0 0.0
HIS 96 0 0.0 0.0 0.0 0.0 0.0
HIS 97 0 0.0 0.0 0.0 0.0 0.0
HIS 98 0 0.0 0.0 0.0 0.0 0.0
HIS 99 0 0.0 0.0 0.0 0.0 0.0
HIS 100 0 0.0 0.0 0.0 0.0 0.0
HIS 101 0 0.0 0.0 0.0 0.0 0.0
# TOTAL 395 1397.0 431.0 486.0 480.0 0.0
# TOTAL NUMBER OF RESTRAINTS (CHECKING): 1792.0
List of conformationally-resticting NOE constraints
assign ((resid 68 and name HN )) ( (resid 68 and name HE2 )) 5.50 3.70 0.83
assign ((resid 68 and name HN )) ( (resid 68 and name HE1 )) 5.50 3.70 0.83
assign ((resid 63 and name HA )) ( (resid 66 and name HB1 )) 4.72 2.92 0.71
assign ((resid 88 and name HN )) ( (resid 88 and name HG2* )) 3.63 1.83 0.54
assign ((resid 51 and name HD2 )) ( (resid 88 and name HG2* )) 4.29 2.49 0.64
assign ((resid 85 and name HA )) ( (resid 88 and name HG2* )) 3.94 2.14 0.59
assign ((resid 88 and name HG2* )) ( (resid 89 and name HA )) 3.82 2.02 0.57
assign ((resid 88 and name HA )) ( (resid 88 and name HG2* )) 3.39 1.59 0.51
assign ((resid 53 and name HG2* )) ( (resid 88 and name HG2* )) 4.18 2.38 0.63
assign ((resid 84 and name HG2* )) ( (resid 88 and name HG2* )) 4.42 2.62 0.66
assign ((resid 5 and name HD1 )) ( (resid 77 and name HB2 )) 4.46 2.66 0.67
assign ((resid 25 and name HA )) ( (resid 77 and name HB2 )) 4.28 2.48 0.64
assign ((resid 70 and name HB )) ( (resid 71 and name HN )) 4.18 2.38 0.63
assign ((resid 70 and name HB )) ( (resid 72 and name HN )) 4.71 2.91 0.71
assign ((resid 84 and name HG2* )) ( (resid 85 and name HN )) 3.52 1.72 0.53
assign ((resid 84 and name HG2* )) ( (resid 85 and name HA )) 4.09 2.29 0.61
assign ((resid 81 and name HA )) ( (resid 84 and name HG2* )) 4.30 2.50 0.65
assign ((resid 51 and name HB1 )) ( (resid 84 and name HG2* )) 4.39 2.59 0.66
assign ((resid 51 and name HB2 )) ( (resid 84 and name HG2* )) 4.53 2.73 0.68
assign ((resid 84 and name HG2* )) ( (resid 88 and name HB )) 4.46 2.66 0.67
assign ((resid 84 and name HG2* )) ( (resid 88 and name HG1* )) 3.18 1.38 0.48
assign ((resid 4 and name HG2* )) ( (resid 84 and name HG2* )) 3.21 1.41 0.48
assign ((resid 8 and name HG2* )) ( (resid 84 and name HG2* )) 3.76 1.96 0.56
assign ((resid 53 and name HD1* )) ( (resid 84 and name HG2* )) 3.11 1.31 0.47
assign ((resid 8 and name HN )) ( (resid 84 and name HD1* )) 5.08 3.28 0.76
assign ((resid 81 and name HN )) ( (resid 84 and name HD1* )) 5.34 3.54 0.80
assign ((resid 84 and name HN )) ( (resid 84 and name HD1* )) 3.64 1.84 0.55
assign ((resid 80 and name HA )) ( (resid 84 and name HD1* )) 4.99 3.19 0.75
assign ((resid 81 and name HA )) ( (resid 84 and name HD1* )) 3.53 1.73 0.53
assign ((resid 84 and name HA )) ( (resid 84 and name HD1* )) 4.01 2.21 0.60
assign ((resid 8 and name HB )) ( (resid 84 and name HD1* )) 4.04 2.24 0.61
assign ((resid 80 and name HD1* )) ( (resid 84 and name HD1* )) 3.53 1.73 0.53
assign ((resid 4 and name HG2* )) ( (resid 84 and name HD1* )) 3.47 1.67 0.52
assign ((resid 8 and name HG2* )) ( (resid 84 and name HD1* )) 2.90 1.10 0.44
assign ((resid 47 and name HD1* )) ( (resid 84 and name HD1* )) 3.15 1.35 0.47
assign ((resid 53 and name HD1* )) ( (resid 84 and name HG11 )) 4.18 2.38 0.63
assign ((resid 94 and name HD1* )) ( (resid 95 and name HN )) 4.85 3.05 0.73
assign ((resid 38 and name HN )) ( (resid 38 and name HD1* )) 4.13 2.33 0.62
assign ((resid 94 and name HN )) ( (resid 94 and name HD1* )) 4.37 2.57 0.66
assign ((resid 41 and name HN )) ( (resid 41 and name HD1* )) 3.99 2.19 0.60
assign ((resid 41 and name HD1* )) ( (resid 42 and name HN )) 4.57 2.77 0.69
assign ((resid 53 and name HG11 )) ( (resid 54 and name HA )) 4.64 2.84 0.70
assign ((resid 38 and name HA )) ( (resid 41 and name HD1* )) 3.21 1.41 0.48
assign ((resid 38 and name HB2 )) ( (resid 38 and name HD1* )) 3.36 1.56 0.50
assign ((resid 38 and name HB1 )) ( (resid 38 and name HD1* )) 3.13 1.33 0.47
assign ((resid 41 and name HB1 )) ( (resid 41 and name HD1* )) 3.57 1.77 0.54
assign ((resid 94 and name HB1 )) ( (resid 94 and name HD1* )) 3.56 1.76 0.53
assign ((resid 38 and name HD2* )) ( (resid 40 and name HN )) 5.50 3.70 0.83
assign ((resid 40 and name HN )) ( (resid 41 and name HD2* )) 5.50 3.70 0.83
assign ((resid 37 and name HN )) ( (resid 38 and name HD2* )) 4.71 2.91 0.71
assign ((resid 94 and name HD2* )) ( (resid 95 and name HN )) 4.71 2.91 0.71
assign ((resid 38 and name HN )) ( (resid 38 and name HD2* )) 3.95 2.15 0.59
assign ((resid 94 and name HN )) ( (resid 94 and name HD2* )) 4.36 2.56 0.65
assign ((resid 41 and name HN )) ( (resid 41 and name HD2* )) 3.96 2.16 0.59
assign ((resid 41 and name HD2* )) ( (resid 42 and name HN )) 4.74 2.94 0.71
assign ((resid 38 and name HA )) ( (resid 38 and name HD2* )) 2.99 1.19 0.45
assign ((resid 94 and name HA )) ( (resid 94 and name HD2* )) 3.21 1.41 0.48
assign ((resid 41 and name HA )) ( (resid 41 and name HD2* )) 3.13 1.33 0.47
assign ((resid 36 and name HB2 )) ( (resid 38 and name HD2* )) 5.50 3.70 0.83
assign ((resid 38 and name HB1 )) ( (resid 38 and name HD2* )) 3.20 1.40 0.48
assign ((resid 41 and name HB1 )) ( (resid 41 and name HD2* )) 3.52 1.72 0.53
assign ((resid 24 and name HA )) ( (resid 25 and name HA )) 4.82 3.02 0.72
assign ((resid 24 and name HA )) ( (resid 25 and name HG2 )) 4.72 2.92 0.71
assign ((resid 24 and name HA )) ( (resid 25 and name HG1 )) 4.76 2.96 0.71
assign ((resid 56 and name HA )) ( (resid 57 and name HA )) 4.73 2.93 0.71
assign ((resid 5 and name HD2 )) ( (resid 6 and name HA )) 4.78 2.98 0.72
assign ((resid 6 and name HA )) ( (resid 20 and name HH12 )) 5.00 3.20 0.75
assign ((resid 6 and name HA )) ( (resid 20 and name HH21 )) 5.02 3.22 0.75
assign ((resid 6 and name HA )) ( (resid 20 and name HH22 )) 5.02 3.22 0.75
assign ((resid 5 and name HE1 )) ( (resid 77 and name HA )) 4.54 2.74 0.68
assign ((resid 76 and name HA )) ( (resid 77 and name HA )) 4.77 2.97 0.72
assign ((resid 7 and name HA )) ( (resid 10 and name HB )) 4.70 2.90 0.70
assign ((resid 61 and name HB )) ( (resid 62 and name HA )) 5.05 3.25 0.76
assign ((resid 25 and name HA )) ( (resid 77 and name HA )) 5.36 3.56 0.80
assign ((resid 62 and name HA )) ( (resid 62 and name HG1 )) 3.61 1.81 0.54
assign ((resid 88 and name HA )) ( (resid 89 and name HA )) 5.50 3.70 0.83
assign ((resid 8 and name HA )) ( (resid 11 and name HA )) 4.99 3.19 0.75
assign ((resid 8 and name HA )) ( (resid 11 and name HB )) 3.50 1.70 0.53
assign ((resid 8 and name HA )) ( (resid 11 and name HG12 )) 4.04 2.24 0.61
assign ((resid 8 and name HA )) ( (resid 11 and name HG11 )) 3.41 1.61 0.51
assign ((resid 53 and name HG2* )) ( (resid 88 and name HA )) 3.24 1.44 0.49
assign ((resid 9 and name HA )) ( (resid 12 and name HN )) 4.41 2.61 0.66
assign ((resid 6 and name HA )) ( (resid 9 and name HA )) 5.15 3.35 0.77
assign ((resid 9 and name HA )) ( (resid 12 and name HB )) 4.00 2.20 0.60
assign ((resid 9 and name HA )) ( (resid 13 and name HB* )) 4.87 3.07 0.73
assign ((resid 9 and name HB* )) ( (resid 10 and name HA )) 5.02 3.22 0.75
assign ((resid 10 and name HA )) ( (resid 23 and name HD1* )) 5.39 3.59 0.81
assign ((resid 11 and name HA )) ( (resid 11 and name HG12 )) 3.69 1.89 0.55
assign ((resid 10 and name HG2* )) ( (resid 11 and name HA )) 4.23 2.43 0.63
assign ((resid 11 and name HA )) ( (resid 11 and name HG11 )) 3.89 2.09 0.58
assign ((resid 12 and name HA )) ( (resid 15 and name HB )) 4.45 2.65 0.67
assign ((resid 87 and name HA )) ( (resid 90 and name HN )) 4.33 2.53 0.65
assign ((resid 91 and name HA )) ( (resid 93 and name HN )) 4.84 3.04 0.73
assign ((resid 91 and name HA )) ( (resid 92 and name HA2 )) 4.91 3.11 0.74
assign ((resid 87 and name HA )) ( (resid 88 and name HA )) 4.87 3.07 0.73
assign ((resid 84 and name HA )) ( (resid 87 and name HA )) 5.33 3.53 0.80
assign ((resid 91 and name HA )) ( (resid 91 and name HG2 )) 3.92 2.12 0.59
assign ((resid 53 and name HD1* )) ( (resid 87 and name HA )) 5.00 3.20 0.75
assign ((resid 42 and name HA )) ( (resid 45 and name HN )) 5.00 3.20 0.75
assign ((resid 42 and name HA )) ( (resid 45 and name HB1 )) 3.98 2.18 0.60
assign ((resid 42 and name HA )) ( (resid 45 and name HB2 )) 4.34 2.54 0.65
assign ((resid 15 and name HG2* )) ( (resid 42 and name HA )) 4.59 2.79 0.69
assign ((resid 13 and name HB* )) ( (resid 19 and name HA )) 4.52 2.72 0.68
assign ((resid 18 and name HG2* )) ( (resid 19 and name HA )) 4.35 2.55 0.65
assign ((resid 19 and name HA )) ( (resid 20 and name HA )) 4.51 2.71 0.68
assign ((resid 20 and name HA )) ( (resid 20 and name HD1 )) 4.08 2.28 0.61
assign ((resid 20 and name HA )) ( (resid 23 and name HB )) 4.26 2.46 0.64
assign ((resid 20 and name HA )) ( (resid 23 and name HG11 )) 4.26 2.46 0.64
assign ((resid 13 and name HB* )) ( (resid 20 and name HA )) 3.90 2.10 0.59
assign ((resid 21 and name HA )) ( (resid 23 and name HN )) 4.55 2.75 0.68
assign ((resid 60 and name HH2 )) ( (resid 83 and name HA )) 5.30 3.50 0.80
assign ((resid 83 and name HA )) ( (resid 83 and name HD2 )) 4.59 2.79 0.69
assign ((resid 23 and name HA )) ( (resid 24 and name HG2* )) 4.65 2.85 0.70
assign ((resid 23 and name HA )) ( (resid 33 and name HD1* )) 4.77 2.97 0.72
assign ((resid 23 and name HA )) ( (resid 33 and name HD2* )) 3.99 2.19 0.60
assign ((resid 5 and name HD1 )) ( (resid 25 and name HA )) 5.04 3.24 0.76
assign ((resid 25 and name HA )) ( (resid 78 and name HA )) 4.74 2.94 0.71
assign ((resid 25 and name HA )) ( (resid 77 and name HB1 )) 4.28 2.48 0.64
assign ((resid 25 and name HA )) ( (resid 76 and name HG1* )) 4.86 3.06 0.73
assign ((resid 25 and name HA )) ( (resid 77 and name HD1* )) 5.12 3.32 0.77
assign ((resid 26 and name HA )) ( (resid 76 and name HG1* )) 4.17 2.37 0.63
assign ((resid 27 and name HA )) ( (resid 28 and name HB1 )) 4.81 3.01 0.72
assign ((resid 27 and name HA )) ( (resid 32 and name HB2 )) 5.07 3.27 0.76
assign ((resid 27 and name HA )) ( (resid 33 and name HD1* )) 5.48 3.68 0.82
assign ((resid 30 and name HA )) ( (resid 35 and name HB )) 4.59 2.79 0.69
assign ((resid 30 and name HA )) ( (resid 33 and name HB2 )) 4.67 2.87 0.70
assign ((resid 28 and name HB1 )) ( (resid 31 and name HA )) 4.50 2.70 0.68
assign ((resid 29 and name HA )) ( (resid 33 and name HA )) 4.74 2.94 0.71
assign ((resid 40 and name HA )) ( (resid 40 and name HD1 )) 4.96 3.16 0.74
assign ((resid 40 and name HA )) ( (resid 43 and name HB )) 4.16 2.36 0.62
assign ((resid 43 and name HA )) ( (resid 46 and name HN )) 4.65 2.85 0.70
assign ((resid 15 and name HB )) ( (resid 43 and name HA )) 4.69 2.89 0.70
assign ((resid 43 and name HA )) ( (resid 46 and name HB* )) 3.76 1.96 0.56
assign ((resid 44 and name HA )) ( (resid 47 and name HN )) 4.32 2.52 0.65
assign ((resid 81 and name HA )) ( (resid 82 and name HA )) 5.06 3.26 0.76
assign ((resid 44 and name HA )) ( (resid 47 and name HB )) 3.84 2.04 0.58
assign ((resid 81 and name HA )) ( (resid 84 and name HB )) 3.73 1.93 0.56
assign ((resid 44 and name HA )) ( (resid 55 and name HB2 )) 4.54 2.74 0.68
assign ((resid 80 and name HD1* )) ( (resid 81 and name HA )) 4.62 2.82 0.69
assign ((resid 8 and name HG2* )) ( (resid 81 and name HA )) 3.77 1.97 0.57
assign ((resid 45 and name HA )) ( (resid 49 and name HN )) 4.59 2.79 0.69
assign ((resid 45 and name HA )) ( (resid 48 and name HB2 )) 3.80 2.00 0.57
assign ((resid 44 and name HB* )) ( (resid 45 and name HA )) 4.56 2.76 0.68
assign ((resid 45 and name HB1 )) ( (resid 46 and name HA )) 4.75 2.95 0.71
assign ((resid 82 and name HA )) ( (resid 85 and name HB2 )) 4.31 2.51 0.65
assign ((resid 46 and name HA )) ( (resid 49 and name HB2 )) 3.51 1.71 0.53
assign ((resid 46 and name HA )) ( (resid 49 and name HG1 )) 4.39 2.59 0.66
assign ((resid 47 and name HA )) ( (resid 51 and name HN )) 4.80 3.00 0.72
assign ((resid 47 and name HA )) ( (resid 50 and name HN )) 4.49 2.69 0.67
assign ((resid 85 and name HA )) ( (resid 88 and name HN )) 4.07 2.27 0.61
assign ((resid 85 and name HA )) ( (resid 89 and name HN )) 4.37 2.57 0.66
assign ((resid 48 and name HA )) ( (resid 52 and name HA2 )) 4.76 2.96 0.71
assign ((resid 48 and name HA )) ( (resid 53 and name HG12 )) 4.03 2.23 0.60
assign ((resid 48 and name HA )) ( (resid 53 and name HD1* )) 4.50 2.70 0.68
assign ((resid 77 and name HA )) ( (resid 79 and name HN )) 4.34 2.54 0.65
assign ((resid 5 and name HD1 )) ( (resid 77 and name HA )) 5.07 3.27 0.76
assign ((resid 77 and name HA )) ( (resid 80 and name HB1 )) 3.44 1.64 0.52
assign ((resid 80 and name HA )) ( (resid 80 and name HD1* )) 3.30 1.50 0.50
assign ((resid 77 and name HA )) ( (resid 80 and name HD2* )) 3.57 1.77 0.54
assign ((resid 50 and name HA )) ( (resid 51 and name HD1 )) 4.79 2.99 0.72
assign ((resid 47 and name HA )) ( (resid 50 and name HA )) 5.29 3.49 0.79
assign ((resid 49 and name HB2 )) ( (resid 50 and name HA )) 4.98 3.18 0.75
assign ((resid 49 and name HB1 )) ( (resid 50 and name HA )) 5.32 3.52 0.80
assign ((resid 50 and name HB* )) ( (resid 51 and name HA )) 4.28 2.48 0.64
assign ((resid 51 and name HA )) ( (resid 88 and name HG1* )) 4.66 2.86 0.70
assign ((resid 51 and name HA )) ( (resid 53 and name HG2* )) 4.68 2.88 0.70
assign ((resid 48 and name HA )) ( (resid 53 and name HA )) 5.27 3.47 0.79
assign ((resid 55 and name HB1 )) ( (resid 56 and name HA )) 5.09 3.29 0.76
assign ((resid 57 and name HA )) ( (resid 60 and name HN )) 4.48 2.68 0.67
assign ((resid 57 and name HA )) ( (resid 60 and name HE3 )) 4.50 2.70 0.68
assign ((resid 57 and name HA )) ( (resid 60 and name HB2 )) 4.70 2.90 0.70
assign ((resid 57 and name HA )) ( (resid 60 and name HB1 )) 4.70 2.90 0.70
assign ((resid 58 and name HA )) ( (resid 58 and name HG2 )) 3.68 1.88 0.55
assign ((resid 86 and name HA )) ( (resid 86 and name HG1 )) 3.96 2.16 0.59
assign ((resid 59 and name HA )) ( (resid 62 and name HB1 )) 4.10 2.30 0.62
assign ((resid 86 and name HA )) ( (resid 89 and name HB* )) 3.19 1.39 0.48
assign ((resid 61 and name HA )) ( (resid 64 and name HN )) 4.36 2.56 0.65
assign ((resid 61 and name HA )) ( (resid 64 and name HB )) 3.98 2.18 0.60
assign ((resid 63 and name HA )) ( (resid 68 and name HB2 )) 3.84 2.04 0.58
assign ((resid 62 and name HA )) ( (resid 65 and name HA )) 5.33 3.53 0.80
assign ((resid 68 and name HA )) ( (resid 68 and name HG2 )) 3.43 1.63 0.51
assign ((resid 68 and name HA )) ( (resid 69 and name HA )) 4.60 2.80 0.69
assign ((resid 64 and name HG2* )) ( (resid 69 and name HA )) 4.82 3.02 0.72
assign ((resid 3 and name HB1 )) ( (resid 4 and name HN )) 4.57 2.77 0.69
assign ((resid 72 and name HA )) ( (resid 75 and name HN )) 4.66 2.86 0.70
assign ((resid 73 and name HA )) ( (resid 79 and name HD21 )) 3.60 1.80 0.54
assign ((resid 73 and name HA )) ( (resid 79 and name HD22 )) 4.19 2.39 0.63
assign ((resid 72 and name HA )) ( (resid 73 and name HA )) 4.85 3.05 0.73
assign ((resid 72 and name HB1 )) ( (resid 73 and name HA )) 5.29 3.49 0.79
assign ((resid 73 and name HA )) ( (resid 76 and name HB )) 5.50 3.70 0.83
assign ((resid 5 and name HE1 )) ( (resid 78 and name HA )) 4.93 3.13 0.74
assign ((resid 78 and name HA )) ( (resid 82 and name HN )) 5.50 3.70 0.83
assign ((resid 5 and name HA )) ( (resid 78 and name HA )) 4.85 3.05 0.73
assign ((resid 84 and name HA )) ( (resid 88 and name HN )) 4.71 2.91 0.71
assign ((resid 84 and name HA )) ( (resid 87 and name HN )) 4.28 2.48 0.64
assign ((resid 84 and name HA )) ( (resid 88 and name HG1* )) 4.31 2.51 0.65
assign ((resid 84 and name HA )) ( (resid 87 and name HD1* )) 3.66 1.86 0.55
assign ((resid 89 and name HA )) ( (resid 91 and name HN )) 4.79 2.99 0.72
assign ((resid 88 and name HB )) ( (resid 89 and name HA )) 4.75 2.95 0.71
assign ((resid 93 and name HA )) ( (resid 95 and name HN )) 4.80 3.00 0.72
assign ((resid 92 and name HA1 )) ( (resid 93 and name HA )) 4.87 3.07 0.73
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assign ((resid 26 and name HN )) ( (resid 26 and name HB* )) 3.19 1.39 0.48
assign ((resid 26 and name HN )) ( (resid 26 and name HG* )) 3.17 1.37 0.48
assign ((resid 26 and name HA )) ( (resid 78 and name HE* )) 4.09 2.29 0.61
assign ((resid 26 and name HB* )) ( (resid 27 and name HN )) 3.90 2.10 0.59
assign ((resid 26 and name HG* )) ( (resid 27 and name HN )) 4.11 2.31 0.62
assign ((resid 27 and name HN )) ( (resid 27 and name HB* )) 3.25 1.45 0.49
assign ((resid 27 and name HB* )) ( (resid 32 and name HB1 )) 5.34 3.54 0.80
assign ((resid 27 and name HB* )) ( (resid 33 and name HD1* )) 4.13 2.33 0.62
assign ((resid 27 and name HB* )) ( (resid 77 and name HD1* )) 4.54 2.74 0.68
assign ((resid 28 and name HB2 )) ( (resid 31 and name HB* )) 4.53 2.73 0.68
assign ((resid 28 and name HB1 )) ( (resid 31 and name HB* )) 4.04 2.24 0.61
assign ((resid 28 and name HE1 )) ( (resid 30 and name HG1* )) 3.44 1.64 0.52
assign ((resid 29 and name HB* )) ( (resid 30 and name HG1* )) 3.48 1.68 0.52
assign ((resid 29 and name HB* )) ( (resid 75 and name HB* )) 3.70 1.90 0.56
assign ((resid 30 and name HG2* )) ( (resid 30 and name HG1* )) 3.37 1.57 0.51
assign ((resid 30 and name HG1* )) ( (resid 75 and name HE2 )) 4.23 2.43 0.63
assign ((resid 30 and name HG1* )) ( (resid 75 and name HD2 )) 3.44 1.64 0.52
assign ((resid 36 and name HB* )) ( (resid 37 and name HN )) 3.48 1.68 0.52
assign ((resid 36 and name HB* )) ( (resid 37 and name HB* )) 5.18 3.38 0.78
assign ((resid 36 and name HB* )) ( (resid 38 and name HN )) 4.67 2.87 0.70
assign ((resid 36 and name HB* )) ( (resid 38 and name HB2 )) 3.39 1.59 0.51
assign ((resid 36 and name HB* )) ( (resid 38 and name HD1* )) 4.39 2.59 0.66
assign ((resid 36 and name HB* )) ( (resid 38 and name HD2* )) 4.65 2.85 0.70
assign ((resid 36 and name HB* )) ( (resid 40 and name HN )) 4.88 3.08 0.73
assign ((resid 37 and name HB* )) ( (resid 38 and name HN )) 4.42 2.62 0.66
assign ((resid 38 and name HA )) ( (resid 41 and name HB* )) 4.52 2.72 0.68
assign ((resid 41 and name HB* )) ( (resid 41 and name HD1* )) 3.02 1.22 0.45
assign ((resid 41 and name HB* )) ( (resid 42 and name HN )) 4.09 2.29 0.61
assign ((resid 41 and name HB* )) ( (resid 42 and name HA )) 4.18 2.38 0.63
assign ((resid 42 and name HB* )) ( (resid 43 and name HN )) 3.90 2.10 0.59
assign ((resid 45 and name HA )) ( (resid 49 and name HD* )) 5.34 3.54 0.80
assign ((resid 45 and name HD1 )) ( (resid 49 and name HD* )) 3.86 2.06 0.58
assign ((resid 45 and name HD1 )) ( (resid 49 and name HE* )) 5.30 3.50 0.80
assign ((resid 45 and name HE1 )) ( (resid 49 and name HD* )) 4.55 2.75 0.68
assign ((resid 45 and name HE1 )) ( (resid 49 and name HE* )) 5.34 3.54 0.80
assign ((resid 47 and name HG2* )) ( (resid 84 and name HG1* )) 3.75 1.95 0.56
assign ((resid 49 and name HA )) ( (resid 49 and name HD* )) 4.69 2.89 0.70
assign ((resid 49 and name HA )) ( (resid 49 and name HE* )) 4.83 3.03 0.72
assign ((resid 49 and name HB2 )) ( (resid 49 and name HD* )) 3.39 1.59 0.51
assign ((resid 49 and name HB1 )) ( (resid 49 and name HD* )) 3.47 1.67 0.52
assign ((resid 49 and name HB1 )) ( (resid 49 and name HE* )) 4.72 2.92 0.71
assign ((resid 51 and name HB1 )) ( (resid 91 and name HE* )) 5.20 3.40 0.78
assign ((resid 52 and name HA1 )) ( (resid 91 and name HE* )) 5.34 3.54 0.80
assign ((resid 53 and name HA )) ( (resid 54 and name HB* )) 4.59 2.79 0.69
assign ((resid 53 and name HB )) ( (resid 54 and name HB* )) 5.34 3.54 0.80
assign ((resid 53 and name HB )) ( (resid 87 and name HB* )) 4.03 2.23 0.60
assign ((resid 53 and name HG2* )) ( (resid 87 and name HB* )) 3.81 2.01 0.57
assign ((resid 53 and name HG2* )) ( (resid 91 and name HG* )) 4.72 2.92 0.71
assign ((resid 53 and name HG2* )) ( (resid 91 and name HD* )) 3.60 1.80 0.54
assign ((resid 53 and name HG2* )) ( (resid 91 and name HE* )) 3.87 2.07 0.58
assign ((resid 53 and name HD1* )) ( (resid 84 and name HG1* )) 3.37 1.57 0.51
assign ((resid 54 and name HN )) ( (resid 54 and name HB* )) 3.18 1.38 0.48
assign ((resid 54 and name HN )) ( (resid 54 and name HG* )) 4.30 2.50 0.65
assign ((resid 54 and name HA )) ( (resid 54 and name HG* )) 3.44 1.64 0.52
assign ((resid 54 and name HA )) ( (resid 54 and name HD* )) 4.78 2.98 0.72
assign ((resid 54 and name HB* )) ( (resid 55 and name HN )) 4.44 2.64 0.67
assign ((resid 55 and name HD1* )) ( (resid 84 and name HG1* )) 4.15 2.35 0.62
assign ((resid 56 and name HG1 )) ( (resid 59 and name HE* )) 5.23 3.43 0.78
assign ((resid 57 and name HA )) ( (resid 60 and name HB* )) 3.99 2.19 0.60
assign ((resid 57 and name HD1* )) ( (resid 60 and name HB* )) 4.58 2.78 0.69
assign ((resid 59 and name HA )) ( (resid 59 and name HD* )) 4.62 2.82 0.69
assign ((resid 59 and name HA )) ( (resid 59 and name HE* )) 5.34 3.54 0.80
assign ((resid 59 and name HB1 )) ( (resid 59 and name HD* )) 3.26 1.46 0.49
assign ((resid 59 and name HG* )) ( (resid 59 and name HE* )) 3.22 1.42 0.48
assign ((resid 59 and name HG* )) ( (resid 60 and name HN )) 4.94 3.14 0.74
assign ((resid 59 and name HG* )) ( (resid 60 and name HD1 )) 4.38 2.58 0.66
assign ((resid 59 and name HG* )) ( (resid 63 and name HG* )) 4.60 2.80 0.69
assign ((resid 59 and name HE* )) ( (resid 63 and name HG* )) 4.79 2.99 0.72
assign ((resid 60 and name HB* )) ( (resid 61 and name HN )) 3.88 2.08 0.58
assign ((resid 60 and name HZ2 )) ( (resid 83 and name HB* )) 3.70 1.90 0.56
assign ((resid 60 and name HZ2 )) ( (resid 83 and name HG* )) 4.68 2.88 0.70
assign ((resid 60 and name HH2 )) ( (resid 83 and name HB* )) 3.40 1.60 0.51
assign ((resid 60 and name HH2 )) ( (resid 83 and name HG* )) 4.02 2.22 0.60
assign ((resid 61 and name HG2* )) ( (resid 65 and name HD2* )) 3.23 1.43 0.48
assign ((resid 62 and name HA )) ( (resid 62 and name HE* )) 4.05 2.25 0.61
assign ((resid 62 and name HA )) ( (resid 65 and name HD2* )) 3.80 2.00 0.57
assign ((resid 62 and name HG1 )) ( (resid 62 and name HE* )) 3.41 1.61 0.51
assign ((resid 62 and name HE* )) ( (resid 65 and name HB2 )) 4.12 2.32 0.62
assign ((resid 63 and name HN )) ( (resid 63 and name HB* )) 3.15 1.35 0.47
assign ((resid 63 and name HN )) ( (resid 63 and name HG* )) 3.24 1.44 0.49
assign ((resid 63 and name HA )) ( (resid 66 and name HB* )) 3.95 2.15 0.59
assign ((resid 63 and name HA )) ( (resid 68 and name HE* )) 5.34 3.54 0.80
assign ((resid 63 and name HB* )) ( (resid 64 and name HG2* )) 4.38 2.58 0.66
assign ((resid 63 and name HB* )) ( (resid 65 and name HN )) 5.34 3.54 0.80
assign ((resid 63 and name HB* )) ( (resid 68 and name HN )) 4.63 2.83 0.69
assign ((resid 63 and name HB* )) ( (resid 69 and name HB* )) 3.26 1.46 0.49
assign ((resid 63 and name HB* )) ( (resid 74 and name HE2 )) 4.06 2.26 0.61
assign ((resid 63 and name HG* )) ( (resid 64 and name HN )) 4.40 2.60 0.66
assign ((resid 63 and name HG* )) ( (resid 68 and name HB2 )) 4.78 2.98 0.72
assign ((resid 63 and name HG* )) ( (resid 69 and name HB* )) 4.49 2.69 0.67
assign ((resid 65 and name HN )) ( (resid 65 and name HD2* )) 4.39 2.59 0.66
assign ((resid 65 and name HA )) ( (resid 65 and name HD2* )) 4.66 2.86 0.70
assign ((resid 65 and name HB2 )) ( (resid 65 and name HD2* )) 3.22 1.42 0.48
assign ((resid 65 and name HB1 )) ( (resid 65 and name HD2* )) 3.48 1.68 0.52
assign ((resid 66 and name HN )) ( (resid 66 and name HB* )) 2.96 1.16 0.44
assign ((resid 66 and name HB* )) ( (resid 67 and name HN )) 3.71 1.91 0.56
assign ((resid 66 and name HB* )) ( (resid 68 and name HB2 )) 4.29 2.49 0.64
assign ((resid 66 and name HB* )) ( (resid 68 and name HG2 )) 4.73 2.93 0.71
assign ((resid 66 and name HB* )) ( (resid 68 and name HG1 )) 4.42 2.62 0.66
assign ((resid 66 and name HB* )) ( (resid 68 and name HD* )) 4.62 2.82 0.69
assign ((resid 66 and name HB* )) ( (resid 68 and name HE* )) 4.72 2.92 0.71
assign ((resid 67 and name HA* )) ( (resid 68 and name HA )) 4.68 2.88 0.70
assign ((resid 67 and name HA* )) ( (resid 68 and name HD* )) 5.18 3.38 0.78
assign ((resid 67 and name HA* )) ( (resid 69 and name HN )) 4.67 2.87 0.70
assign ((resid 68 and name HN )) ( (resid 68 and name HD* )) 4.10 2.30 0.62
assign ((resid 68 and name HA )) ( (resid 68 and name HD* )) 3.49 1.69 0.52
assign ((resid 68 and name HA )) ( (resid 68 and name HE* )) 4.68 2.88 0.70
assign ((resid 68 and name HB1 )) ( (resid 68 and name HD* )) 3.59 1.79 0.54
assign ((resid 68 and name HB1 )) ( (resid 68 and name HE* )) 4.74 2.94 0.71
assign ((resid 68 and name HG1 )) ( (resid 68 and name HD* )) 2.58 0.78 0.39
assign ((resid 68 and name HG1 )) ( (resid 68 and name HE* )) 3.65 1.85 0.55
assign ((resid 69 and name HA )) ( (resid 73 and name HE* )) 4.54 2.74 0.68
assign ((resid 69 and name HB* )) ( (resid 73 and name HE* )) 3.58 1.78 0.54
assign ((resid 70 and name HN )) ( (resid 73 and name HB* )) 4.35 2.55 0.65
assign ((resid 70 and name HN )) ( (resid 73 and name HG* )) 5.34 3.54 0.80
assign ((resid 72 and name HA )) ( (resid 75 and name HB* )) 4.50 2.70 0.68
assign ((resid 73 and name HN )) ( (resid 73 and name HG* )) 4.35 2.55 0.65
assign ((resid 73 and name HA )) ( (resid 79 and name HB* )) 4.28 2.48 0.64
assign ((resid 73 and name HB* )) ( (resid 74 and name HN )) 4.17 2.37 0.63
assign ((resid 74 and name HA )) ( (resid 83 and name HG* )) 4.94 3.14 0.74
assign ((resid 74 and name HD1 )) ( (resid 83 and name HB* )) 4.80 3.00 0.72
assign ((resid 74 and name HD1 )) ( (resid 83 and name HG* )) 3.37 1.57 0.51
assign ((resid 74 and name HE1 )) ( (resid 83 and name HG* )) 4.56 2.76 0.68
assign ((resid 76 and name HN )) ( (resid 79 and name HB* )) 4.26 2.46 0.64
assign ((resid 76 and name HB )) ( (resid 79 and name HB* )) 4.60 2.80 0.69
assign ((resid 76 and name HG1* )) ( (resid 78 and name HB* )) 4.05 2.25 0.61
assign ((resid 76 and name HG1* )) ( (resid 78 and name HG* )) 2.91 1.11 0.44
assign ((resid 76 and name HG1* )) ( (resid 78 and name HE* )) 3.54 1.74 0.53
assign ((resid 76 and name HG1* )) ( (resid 79 and name HB* )) 4.59 2.79 0.69
assign ((resid 78 and name HN )) ( (resid 78 and name HG* )) 3.43 1.63 0.51
assign ((resid 78 and name HB* )) ( (resid 78 and name HD2 )) 3.56 1.76 0.53
assign ((resid 78 and name HB* )) ( (resid 78 and name HE* )) 4.53 2.73 0.68
assign ((resid 78 and name HB* )) ( (resid 79 and name HN )) 4.04 2.24 0.61
assign ((resid 78 and name HG* )) ( (resid 78 and name HE* )) 3.13 1.33 0.47
assign ((resid 78 and name HG* )) ( (resid 79 and name HN )) 3.95 2.15 0.59
assign ((resid 78 and name HE* )) ( (resid 79 and name HN )) 4.34 2.54 0.65
assign ((resid 78 and name HE* )) ( (resid 79 and name HD22 )) 4.51 2.71 0.68
assign ((resid 79 and name HB* )) ( (resid 80 and name HN )) 4.17 2.37 0.63
assign ((resid 79 and name HB* )) ( (resid 80 and name HA )) 5.08 3.28 0.76
assign ((resid 80 and name HA )) ( (resid 83 and name HG* )) 4.47 2.67 0.67
assign ((resid 80 and name HD1* )) ( (resid 83 and name HB* )) 3.75 1.95 0.56
assign ((resid 80 and name HD1* )) ( (resid 84 and name HG1* )) 3.68 1.88 0.55
assign ((resid 82 and name HA )) ( (resid 85 and name HB* )) 3.56 1.76 0.53
assign ((resid 83 and name HN )) ( (resid 83 and name HG* )) 3.44 1.64 0.52
assign ((resid 83 and name HB* )) ( (resid 83 and name HD2 )) 3.66 1.86 0.55
assign ((resid 83 and name HB* )) ( (resid 83 and name HE )) 4.67 2.87 0.70
assign ((resid 83 and name HB* )) ( (resid 84 and name HN )) 3.86 2.06 0.58
assign ((resid 83 and name HB* )) ( (resid 84 and name HA )) 4.63 2.83 0.69
assign ((resid 84 and name HN )) ( (resid 84 and name HG1* )) 3.38 1.58 0.51
assign ((resid 84 and name HA )) ( (resid 84 and name HG1* )) 3.36 1.56 0.50
assign ((resid 84 and name HG2* )) ( (resid 87 and name HB* )) 4.61 2.81 0.69
assign ((resid 84 and name HG1* )) ( (resid 85 and name HN )) 4.65 2.85 0.70
assign ((resid 84 and name HG1* )) ( (resid 87 and name HD1* )) 4.09 2.29 0.61
assign ((resid 85 and name HN )) ( (resid 85 and name HB* )) 3.16 1.36 0.47
assign ((resid 85 and name HB* )) ( (resid 86 and name HN )) 3.69 1.89 0.55
assign ((resid 86 and name HA )) ( (resid 86 and name HG* )) 3.46 1.66 0.52
assign ((resid 86 and name HG* )) ( (resid 87 and name HN )) 4.66 2.86 0.70
assign ((resid 86 and name HG* )) ( (resid 89 and name HB* )) 4.96 3.16 0.74
assign ((resid 87 and name HB* )) ( (resid 87 and name HD1* )) 3.30 1.50 0.50
assign ((resid 87 and name HB* )) ( (resid 88 and name HN )) 3.91 2.11 0.59
assign ((resid 87 and name HB* )) ( (resid 88 and name HG1* )) 4.70 2.90 0.70
assign ((resid 88 and name HA )) ( (resid 91 and name HG* )) 4.29 2.49 0.64
assign ((resid 88 and name HA )) ( (resid 91 and name HD* )) 4.17 2.37 0.63
assign ((resid 88 and name HA )) ( (resid 91 and name HE* )) 4.10 2.30 0.62
assign ((resid 88 and name HG1* )) ( (resid 91 and name HE* )) 4.28 2.48 0.64
assign ((resid 89 and name HA )) ( (resid 91 and name HE* )) 5.34 3.54 0.80
assign ((resid 91 and name HN )) ( (resid 91 and name HG* )) 3.31 1.51 0.50
assign ((resid 91 and name HB2 )) ( (resid 91 and name HD* )) 3.72 1.92 0.56
assign ((resid 91 and name HB2 )) ( (resid 91 and name HE* )) 4.82 3.02 0.72
assign ((resid 91 and name HB1 )) ( (resid 91 and name HE* )) 4.43 2.63 0.66
assign ((resid 91 and name HG* )) ( (resid 91 and name HE* )) 3.15 1.35 0.47
assign ((resid 91 and name HG* )) ( (resid 92 and name HN )) 3.64 1.84 0.55
assign ((resid 91 and name HG* )) ( (resid 92 and name HA1 )) 5.34 3.54 0.80
assign ((resid 92 and name HA2 )) ( (resid 95 and name HB* )) 4.55 2.75 0.68
assign ((resid 93 and name HA )) ( (resid 95 and name HB* )) 5.25 3.45 0.79
assign ((resid 94 and name HB* )) ( (resid 95 and name HN )) 3.63 1.83 0.54
assign ((resid 95 and name HN )) ( (resid 95 and name HB* )) 2.95 1.15 0.44
list of removed NOE constraints
18-> ILE 84 HA - ILE 84 HG2* 1.80 4.01 # NoRestrctn I [2.63 3.78] -- intra
33-> ILE 84 HB - ILE 84 HD1* 1.80 3.85 # NoRestrctn I [2.63 3.78] -- intra
65-> THR 24 HA - PRO 25 HD1 1.80 4.36 # NoRestrctn S [2.00 3.95] -- sequential
66-> THR 24 HA - PRO 25 HD2 1.80 4.14 # NoRestrctn S [2.00 3.95] -- sequential
96-> ILE 12 HA - ILE 12 HG2* 1.80 3.82 # NoRestrctn I [2.63 3.78] -- intra
118-> GLU 21 HA - GLU 21 HG1 1.80 4.62 # NoRestrctn I [2.06 4.60] -- intra
133-> ILE 30 HA - ILE 30 HG12 1.80 4.74 # NoRestrctn I [2.06 4.60] -- intra
134-> ILE 30 HA - ILE 30 HG11 1.80 4.74 # NoRestrctn I [2.06 4.60] -- intra
142-> ILE 43 HA - ILE 43 HG2* 1.80 4.15 # NoRestrctn I [2.63 3.78] -- intra
152-> PHE 45 HA - ALA 46 HB* 1.80 6.33 # NoRestrctn S [2.00 6.01] -- sequential
160-> ILE 47 HA - ILE 47 HG11 1.80 4.69 # NoRestrctn I [2.06 4.60] -- intra
193-> LYS 68 HN - ALA 69 HA 1.80 5.91 # NoRestrctn S [2.00 3.99] -- sequential
221-> ILE 18 HA - ILE 18 HG2* 1.80 3.96 # NoRestrctn I [2.63 3.78] -- intra
257-> THR 22 HN - THR 22 HB 1.80 4.84 # NoRestrctn I [2.00 4.30] -- intra
264-> ALA 29 HN - ALA 29 HB* 1.80 3.94 # NoRestrctn I [2.66 3.68] -- intra
280-> ILE 43 HB - ILE 43 HD1* 1.80 4.22 # NoRestrctn I [2.63 3.78] -- intra
281-> ALA 44 HN - ALA 44 HB* 1.80 3.73 # NoRestrctn I [2.66 3.68] -- intra
292-> ALA 46 HN - ALA 46 HB* 1.80 3.69 # NoRestrctn I [2.66 3.68] -- intra
375-> LYS 68 HN - LYS 68 HB1 1.80 4.76 # NoRestrctn I [2.00 4.30] -- intra
384-> LEU 94 HN - LEU 94 HB2 1.80 4.45 # NoRestrctn I [2.00 4.30] -- intra
386-> GLU 14 HN - GLU 14 HB1 1.80 4.43 # NoRestrctn I [2.00 4.30] -- intra
388-> ASP 17 HN - ASP 17 HB1 1.80 4.76 # NoRestrctn I [2.00 4.30] -- intra
419-> LEU 87 HN - LEU 87 HB1 1.80 4.70 # NoRestrctn I [2.00 4.30] -- intra
424-> LYS 91 HN - LYS 91 HB2 1.80 4.34 # NoRestrctn I [2.00 4.30] -- intra
427-> LEU 94 HN - LEU 94 HB1 1.80 4.45 # NoRestrctn I [2.00 4.30] -- intra
506-> ILE 11 HA - ILE 11 HG2* 1.80 3.97 # NoRestrctn I [2.63 3.78] -- intra
540-> ILE 23 HA - ILE 23 HG2* 1.80 3.90 # NoRestrctn I [2.63 3.78] -- intra
561-> ILE 35 HA - ILE 35 HG2* 1.80 4.08 # NoRestrctn I [2.63 3.78] -- intra
579-> ILE 47 HA - ILE 47 HG2* 1.80 4.01 # NoRestrctn I [2.63 3.78] -- intra
591-> ILE 53 HA - ILE 53 HG2* 1.80 3.83 # NoRestrctn I [2.63 3.78] -- intra
625-> GLU 21 HB2 - GLU 21 HG1 1.80 3.31 # NoRestrctn I [1.99 3.26] -- intra
634-> GLU 72 HA - GLU 72 HG1 1.80 4.61 # NoRestrctn I [2.06 4.60] -- intra
654-> GLN 62 HA - GLN 62 HG2 1.80 4.63 # NoRestrctn I [2.06 4.60] -- intra
716-> ILE 30 HB - ILE 30 HD1* 1.80 4.27 # NoRestrctn I [2.63 3.78] -- intra
814-> ILE 18 HA - PRO 19 HD2 1.80 4.01 # NoRestrctn S [2.00 3.95] -- sequential
829-> ILE 18 HA - PRO 19 HD1 1.80 4.01 # NoRestrctn S [2.00 3.95] -- sequential
879-> SER 37 HN - LEU 38 HA 1.80 6.24 # NoRestrctn S [2.00 3.99] -- sequential
882-> LEU 38 HA - LEU 38 HG 1.80 4.84 # NoRestrctn I [2.06 4.26] -- intra
925-> ILE 11 HB - ILE 11 HD1* 1.80 3.96 # NoRestrctn I [2.63 3.78] -- intra
1168-> GLU 63 HN - GLU 63 HB2 1.80 4.30 # NoRestrctn I [2.00 4.30] -- intra
1170-> GLU 63 HN - GLU 63 HB1 1.80 4.30 # NoRestrctn I [2.00 4.30] -- intra
1197-> THR 4 HN - THR 4 HB 1.80 4.77 # NoRestrctn I [2.00 4.30] -- intra
1207-> LEU 55 HN - LEU 55 HB2 1.80 4.31 # NoRestrctn I [2.00 4.30] -- intra
1211-> SER 27 HA - HIS 28 HN 1.80 4.07 # NoRestrctn S [2.00 3.99] -- sequential
1212-> HIS 28 HN - HIS 28 HB2 1.80 4.31 # NoRestrctn I [2.00 4.30] -- intra
1213-> HIS 28 HN - HIS 28 HB1 1.80 4.66 # NoRestrctn I [2.00 4.30] -- intra
1225-> ILE 35 HA - ASP 36 HN 1.80 4.11 # NoRestrctn S [2.00 3.99] -- sequential
1228-> PHE 51 HN - PHE 51 HB2 1.80 4.68 # NoRestrctn I [2.00 4.30] -- intra
1233-> ILE 30 HN - ILE 30 HB 1.80 4.42 # NoRestrctn I [2.00 4.30] -- intra
1236-> THR 61 HN - THR 61 HB 1.80 4.40 # NoRestrctn I [2.00 4.30] -- intra
1241-> ASP 32 HN - ASP 32 HB1 1.80 4.34 # NoRestrctn I [2.00 4.30] -- intra
1242-> ASP 32 HN - ASP 32 HB2 1.80 4.76 # NoRestrctn I [2.00 4.30] -- intra
1257-> GLU 14 HN - GLU 14 HB2 1.80 4.43 # NoRestrctn I [2.00 4.30] -- intra
1261-> CYS 16 HN - ASP 17 HA 1.80 5.57 # NoRestrctn S [2.00 3.99] -- sequential
1263-> CYS 16 HN - CYS 16 HB2 1.80 4.76 # NoRestrctn I [2.00 4.30] -- intra
1264-> CYS 16 HN - CYS 16 HB1 1.80 4.76 # NoRestrctn I [2.00 4.30] -- intra
1269-> SER 27 HN - SER 27 HB1 1.80 4.43 # NoRestrctn I [2.00 4.30] -- intra
1270-> SER 27 HN - SER 27 HB2 1.80 4.43 # NoRestrctn I [2.00 4.30] -- intra
1311-> LEU 33 HN - LEU 33 HB1 1.80 4.52 # NoRestrctn I [2.00 4.30] -- intra
1366-> ASP 17 HA - ILE 18 HN 1.80 4.01 # NoRestrctn S [2.00 3.99] -- sequential
1378-> ASP 17 HN - ASP 17 HB2 1.80 4.76 # NoRestrctn I [2.00 4.30] -- intra
1381-> LYS 91 HN - GLY 92 HA1 1.80 6.33 # NoRestrctn S [2.00 3.99] -- sequential
1382-> LYS 91 HN - GLY 92 HA2 1.80 6.33 # NoRestrctn S [2.00 3.99] -- sequential
1390-> LYS 54 HN - LYS 54 HB1 1.80 4.38 # NoRestrctn I [2.00 4.30] -- intra
1395-> ARG 7 HN - ARG 7 HB2 1.80 4.34 # NoRestrctn I [2.00 4.30] -- intra
1396-> ARG 7 HN - ARG 7 HB1 1.80 4.43 # NoRestrctn I [2.00 4.30] -- intra
1422-> ALA 69 HN - ALA 69 HB* 1.80 3.88 # NoRestrctn I [2.66 3.68] -- intra
1480-> LEU 87 HN - LEU 87 HB2 1.80 4.70 # NoRestrctn I [2.00 4.30] -- intra
1493-> ILE 84 HN - ASP 85 HA 1.80 6.29 # NoRestrctn S [2.00 3.99] -- sequential
1520-> LEU 80 HN - LEU 80 HB1 1.80 4.31 # NoRestrctn I [2.00 4.30] -- intra
1528-> LEU 41 HN - LEU 41 HB1 1.80 4.60 # NoRestrctn I [2.00 4.30] -- intra
1547-> GLU 72 HN - GLU 72 HB1 1.80 4.35 # NoRestrctn I [2.00 4.30] -- intra
1549-> GLU 72 HN - GLU 72 HB2 1.80 4.44 # NoRestrctn I [2.00 4.30] -- intra
1559-> PHE 5 HN - PHE 5 HB2 1.80 4.43 # NoRestrctn I [2.00 4.30] -- intra
1560-> PHE 5 HN - PHE 5 HB1 1.80 4.35 # NoRestrctn I [2.00 4.30] -- intra
1582-> LEU 41 HN - LEU 41 HB2 1.80 4.60 # NoRestrctn I [2.00 4.30] -- intra
1600-> LYS 54 HN - LYS 54 HB2 1.80 4.38 # NoRestrctn I [2.00 4.30] -- intra
1631-> ASN 79 HN - ASN 79 HB2 1.80 4.34 # NoRestrctn I [2.00 4.30] -- intra
1632-> ASN 79 HN - ASN 79 HB1 1.80 4.34 # NoRestrctn I [2.00 4.30] -- intra
1655-> ILE 12 HA - ILE 12 HG1* 1.80 4.21 # NoRestrctn I [2.23 4.01] -- intra
1665-> GLU 14 HA - GLU 14 HG* 1.80 4.08 # NoRestrctn I [2.23 4.01] -- intra
1669-> CYS 16 HN - CYS 16 HB* 1.80 4.07 # NoRestrctn I [2.29 3.93] -- intra
1674-> ASP 17 HN - ASP 17 HB* 1.80 4.17 # NoRestrctn I [2.29 3.93] -- intra
1688-> ARG 20 HB* - ARG 20 HD* 1.80 3.82 # NoRestrctn I [2.53 3.73] -- intra
1714-> ILE 30 HA - ILE 30 HG1* 1.80 4.11 # NoRestrctn I [2.23 4.01] -- intra
1727-> LEU 41 HN - LEU 41 HB* 1.80 3.97 # NoRestrctn I [2.29 3.93] -- intra
1758-> LYS 54 HG* - LYS 54 HE* 1.80 3.81 # NoRestrctn I [2.52 3.73] -- intra
1783-> GLU 63 HA - GLU 63 HG* 1.80 4.13 # NoRestrctn I [2.23 4.01] -- intra
1827-> PHE 75 HN - PHE 75 HB* 1.80 4.24 # NoRestrctn I [2.29 3.93] -- intra
1848-> ARG 83 HN - ARG 83 HB* 1.80 4.19 # NoRestrctn I [2.29 3.93] -- intra
1864-> LEU 87 HN - LEU 87 HB* 1.80 4.12 # NoRestrctn I [2.29 3.93] -- intra
====== TOTAL ======: 91
table of distance constraints violations
Residual Violations greater than 0.10
6-> ASP 85 HA - VAL 88 HG2* [ 1.80 4.53] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 - 2 [ 0.16 .. 0.22]
7-> VAL 88 HG2* - ALA 89 HA [ 1.80 4.39] 1.08 1.09 1.15 1.13 1.07 1.11 1.15 0.00 1.09 1.09 1.09 1.14 1.11 1.10 1.12 1.10 0.00 1.11 1.09 1.10 - 18 [ 1.07 .. 1.15]
11-> PHE 5 HD* - LEU 77 HB2 [ 1.80 5.13] 1.04 0.00 1.13 1.12 0.00 0.00 0.00 0.00 0.00 0.22 0.00 1.05 1.15 1.00 0.00 0.97 0.00 0.19 0.33 0.00 - 10 [ 0.19 .. 1.15]
22-> ILE 84 HG2* - VAL 88 HG1* [ 1.80 3.66] 1.04 1.05 1.08 1.24 1.01 0.49 0.99 0.00 0.93 0.85 0.80 1.04 1.00 1.09 0.72 1.03 0.00 1.04 0.82 0.73 - 18 [ 0.49 .. 1.24]
35-> THR 4 HG2* - ILE 84 HD1* [ 1.80 3.99] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 - 1 [ 0.70 .. 0.70]
45-> LEU 38 HA - LEU 41 HD1* [ 1.80 3.69] 0.72 1.13 0.79 0.78 0.74 0.89 0.73 0.61 1.01 0.00 0.98 0.79 0.71 0.56 0.76 0.84 0.70 0.44 0.00 0.82 - 18 [ 0.44 .. 1.13]
52-> SER 37 HN - LEU 38 HD2* [ 1.80 5.42] 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.06 .. 0.23]
59-> LEU 94 HA - LEU 94 HD2* [ 1.80 3.69] 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.19 0.20 - 5 [ 0.18 .. 0.20]
60-> LEU 41 HA - LEU 41 HD2* [ 1.80 3.60] 0.26 0.27 0.27 0.27 0.27 0.26 0.27 0.26 0.27 0.00 0.27 0.27 0.26 0.26 0.27 0.26 0.27 0.25 0.00 0.26 - 18 [ 0.25 .. 0.27]
61-> ASP 36 HB2 - LEU 38 HD2* [ 1.80 6.33] 0.64 0.53 0.67 0.73 0.74 0.00 0.79 0.77 0.00 0.63 0.52 0.67 0.70 0.00 0.65 0.00 0.83 0.34 0.58 0.65 - 16 [ 0.34 .. 0.83]
71-> ASP 6 HA - ARG 20 HH12 [ 1.80 5.75] 8.26 1.62 8.41 7.86 1.28 1.06 5.08 6.68 1.54 1.53 1.71 4.20 1.13 7.00 0.82 4.30 1.24 6.52 5.03 3.01 - 20 [ 0.82 .. 8.41]
72-> ASP 6 HA - ARG 20 HH21 [ 1.80 5.77] 7.89 3.42 8.06 7.44 3.31 3.08 7.06 8.42 3.17 2.17 3.31 6.58 2.22 6.36 0.00 4.02 2.02 6.21 6.77 0.71 - 19 [ 0.71 .. 8.42]
73-> ASP 6 HA - ARG 20 HH22 [ 1.80 5.77] 8.91 3.29 9.08 8.47 3.02 2.81 6.90 8.42 3.12 2.50 3.29 6.19 2.24 7.46 0.00 4.39 2.31 7.20 6.69 2.31 - 19 [ 2.24 .. 9.08]
83-> VAL 8 HA - ILE 11 HG12 [ 1.80 4.65] 0.08 0.00 0.00 0.06 0.00 0.15 0.05 0.00 0.00 0.07 0.00 0.08 0.07 0.48 0.00 0.00 0.04 0.25 0.04 0.00 - 13 [ 0.00 .. 0.48]
88-> ALA 9 HA - ILE 12 HB [ 1.80 4.60] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.49 .. 0.49]
93-> THR 10 HG2* - ILE 11 HA [ 1.80 4.86] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 - 1 [ 0.72 .. 0.72]
111-> ARG 20 HA - ARG 20 HD3 [ 1.80 4.69] 0.07 0.00 0.08 0.08 0.00 0.00 0.08 0.09 0.00 0.00 0.00 0.10 0.00 0.07 0.00 0.00 0.00 0.07 0.10 0.00 - 9 [ 0.07 .. 0.10]
119-> ILE 23 HA - THR 24 HG2* [ 1.80 5.35] 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 - 4 [ 0.12 .. 0.16]
125-> PRO 25 HA - VAL 76 HG1* [ 1.80 5.59] 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 0.00 0.00 0.00 0.12 0.00 0.00 - 1 [ 0.12 .. 0.12]
127-> GLU 26 HA - VAL 76 HG1* [ 1.80 4.80] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 - 1 [ 0.56 .. 0.56]
147-> ALA 44 HA - LEU 55 HB2 [ 1.80 5.22] 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 0.06 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.06 .. 0.47]
176-> PHE 51 HA - VAL 88 HG1* [ 1.80 5.36] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 - 2 [ 0.11 .. 0.26]
186-> LYS 59 HA - GLN 62 HB3 [ 1.80 4.72] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
205-> PHE 5 HA - LYS 78 HA [ 1.80 5.58] 0.10 1.09 0.00 0.00 0.60 0.80 0.19 0.00 0.38 1.00 0.00 0.00 0.02 0.08 0.33 0.25 0.30 1.32 0.93 0.50 - 15 [ 0.02 .. 1.32]
208-> ILE 84 HA - VAL 88 HG1* [ 1.80 4.96] 1.77 1.74 1.73 1.83 1.73 1.35 1.63 0.00 1.65 1.62 1.54 1.74 1.74 1.80 1.48 1.73 0.00 1.78 1.64 1.49 - 18 [ 1.35 .. 1.83]
211-> VAL 88 HB - ALA 89 HA [ 1.80 5.46] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 - 2 [ 0.27 .. 0.34]
222-> ALA 9 HB* - THR 10 HB [ 1.80 4.57] 0.11 0.05 0.00 0.12 0.00 0.07 0.07 0.09 0.04 0.09 0.14 0.04 0.00 0.05 0.04 0.66 0.13 0.17 0.10 0.01 - 17 [ 0.01 .. 0.66]
226-> ALA 9 HB* - ARG 20 HD2 [ 1.80 4.78] 2.39 0.00 2.16 2.03 0.00 0.00 1.62 2.11 0.00 0.00 0.00 1.55 0.00 1.55 0.00 1.96 0.00 1.19 1.34 0.00 - 10 [ 1.19 .. 2.39]
237-> GLU 58 HA - THR 61 HB [ 1.80 4.29] 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.77 0.42 0.00 0.00 0.70 - 5 [ 0.42 .. 0.86]
238-> THR 61 HB - GLN 62 HB2 [ 1.80 5.35] 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.56 0.57 0.00 0.00 0.62 - 5 [ 0.43 .. 1.02]
239-> GLU 58 HB2 - THR 61 HB [ 1.80 5.43] 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 2.18 0.09 0.00 1.96 - 7 [ 0.05 .. 2.18]
246-> ALA 13 HB* - ARG 20 HD2 [ 1.80 4.85] 0.72 0.00 0.67 0.90 0.00 0.00 1.11 1.17 0.00 0.00 0.00 1.23 0.00 0.57 0.00 0.00 0.00 0.87 0.24 0.00 - 9 [ 0.24 .. 1.23]
247-> ALA 13 HB* - ARG 20 HD3 [ 1.80 4.85] 0.07 0.00 0.05 0.30 0.00 0.00 0.28 0.42 0.00 0.00 0.00 0.53 0.00 0.00 0.31 0.00 0.00 0.06 0.00 0.16 - 9 [ 0.05 .. 0.53]
249-> ALA 90 HB* - LYS 91 HB3 [ 1.80 4.93] 0.35 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.45 0.00 0.79 0.00 0.00 0.36 0.00 0.00 0.00 0.44 - 6 [ 0.35 .. 0.79]
262-> THR 24 HB - PRO 25 HG2 [ 1.80 4.95] 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 - 4 [ 1.60 .. 1.73]
263-> THR 24 HB - PRO 25 HG3 [ 1.80 5.77] 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 - 4 [ 0.77 .. 0.83]
274-> ALA 29 HB* - LEU 33 HD1* [ 1.80 4.38] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.42 .. 0.42]
278-> ILE 84 HB - VAL 88 HG1* [ 1.80 6.33] 0.65 0.62 0.69 0.82 0.64 0.18 0.68 0.00 0.56 0.50 0.49 0.65 0.61 0.70 0.37 0.64 0.00 0.55 0.42 0.45 - 18 [ 0.18 .. 0.82]
289-> ALA 44 HB* - LEU 55 HD1* [ 1.80 3.75] 0.75 0.73 0.71 0.71 0.71 0.24 0.00 0.00 0.71 0.50 0.00 0.74 0.72 0.00 0.00 0.00 0.00 0.78 0.56 0.00 - 12 [ 0.24 .. 0.78]
318-> THR 4 HN - ALA 81 HB* [ 1.80 5.44] 0.11 0.07 0.24 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.39 0.00 0.00 0.19 0.00 0.27 0.00 0.00 - 9 [ 0.00 .. 0.39]
324-> THR 4 HG2* - ALA 81 HB* [ 1.80 3.62] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 - 1 [ 0.85 .. 0.85]
337-> VAL 88 HG2* - ALA 89 HB* [ 1.80 4.12] 0.90 0.94 1.01 0.92 0.90 0.97 1.04 0.55 0.94 0.92 0.93 0.95 0.93 0.93 1.00 0.95 0.68 0.91 0.92 0.89 - 20 [ 0.55 .. 1.04]
342-> PHE 40 HB2 - LEU 57 HD1* [ 1.80 6.10] 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.44 .. 0.44]
343-> THR 10 HG2* - ILE 11 HG12 [ 1.80 4.68] 0.02 0.00 0.00 0.06 0.00 0.00 0.00 0.02 0.00 0.00 0.05 0.00 0.09 0.00 0.00 1.76 0.00 0.00 0.00 0.00 - 6 [ 0.02 .. 1.76]
345-> GLU 21 HB2 - THR 22 HG2* [ 1.80 5.09] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.66 .. 0.66]
346-> GLU 21 HB3 - THR 22 HG2* [ 1.80 5.54] 0.00 0.00 0.00 0.00 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 - 1 [ 0.46 .. 0.46]
349-> VAL 88 HA - LYS 91 HE2 [ 1.80 5.50] 1.19 1.52 0.59 0.00 1.50 0.79 0.45 0.73 0.39 1.60 0.87 0.87 0.00 0.36 0.23 0.96 0.69 0.85 1.46 0.99 - 18 [ 0.23 .. 1.60]
350-> VAL 88 HA - LYS 91 HE3 [ 1.80 5.50] 1.18 2.05 0.54 0.00 1.99 0.78 0.39 1.36 1.02 2.15 0.80 0.80 0.00 1.02 0.38 0.99 1.22 1.62 1.93 0.94 - 18 [ 0.38 .. 2.15]
351-> VAL 88 HG1* - LYS 91 HE2 [ 1.80 5.84] 2.15 1.51 0.00 0.00 1.42 1.81 0.00 2.12 0.00 1.53 1.88 0.00 0.00 0.00 0.00 1.96 2.06 0.68 1.28 1.97 - 12 [ 0.68 .. 2.15]
352-> VAL 88 HG1* - LYS 91 HE3 [ 1.80 5.84] 2.03 1.76 0.11 0.00 1.61 1.63 0.00 2.89 0.65 1.83 1.66 0.31 0.00 0.37 0.00 1.85 2.38 1.27 1.47 1.77 - 16 [ 0.11 .. 2.89]
353-> VAL 88 HG2* - LYS 91 HE2 [ 1.80 6.33] 1.04 1.09 0.00 0.00 1.04 0.61 0.00 0.00 0.00 1.11 0.72 0.25 0.00 0.00 0.00 0.85 0.00 0.28 0.97 0.86 - 11 [ 0.25 .. 1.11]
354-> VAL 88 HG2* - LYS 91 HE3 [ 1.80 6.33] 0.84 1.78 0.00 0.00 1.70 0.35 0.00 0.27 0.49 1.85 0.42 0.08 0.00 0.50 0.00 0.68 0.00 1.27 1.63 0.61 - 14 [ 0.08 .. 1.85]
356-> ILE 53 HG2* - LYS 91 HE3 [ 1.80 5.36] 0.00 0.41 0.00 0.00 0.37 0.00 0.00 0.14 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.10 0.00 - 6 [ 0.10 .. 0.41]
368-> LEU 57 HB3 - GLU 58 HB3 [ 1.80 5.30] 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 - 2 [ 0.06 .. 0.75]
372-> THR 61 HG2* - ASN 65 HB2 [ 1.80 5.57] 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.88 0.83 0.00 0.00 0.92 - 5 [ 0.83 .. 1.06]
373-> THR 61 HG2* - ASN 65 HB3 [ 1.80 6.31] 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.04 0.98 0.00 0.00 1.04 - 5 [ 0.98 .. 1.29]
399-> ALA 9 HB* - ARG 20 HD3 [ 1.80 4.78] 2.92 0.00 2.73 2.59 0.00 0.00 2.00 2.47 0.00 0.00 0.00 1.99 0.00 2.16 0.00 0.60 0.00 1.64 1.94 0.00 - 10 [ 0.60 .. 2.92]
401-> GLU 26 HA - LYS 78 HE2 [ 1.80 5.45] 2.05 1.52 2.21 2.24 1.84 1.50 1.88 1.88 1.30 1.37 1.60 2.00 2.00 1.95 1.89 2.18 1.79 1.65 1.58 1.70 - 20 [ 1.30 .. 2.24]
403-> THR 2 HB - ARG 7 HG2 [ 1.80 5.93] 0.00 0.00 0.00 0.00 0.57 0.67 0.00 0.00 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 [ 0.57 .. 0.67]
410-> ILE 12 HD1* - LEU 77 HB3 [ 1.80 4.65] 0.06 0.00 0.05 0.19 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.07 0.09 0.00 0.19 0.15 0.02 0.00 0.00 0.00 - 9 [ 0.02 .. 0.19]
448-> VAL 76 HG1* - ASN 79 HD22 [ 1.80 4.51] 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.35 .. 0.35]
455-> VAL 76 HG1* - LYS 78 HE2 [ 1.80 4.70] 1.51 1.46 1.71 1.63 1.28 1.06 1.27 1.44 1.28 1.24 1.12 1.56 1.59 1.47 1.34 1.56 1.19 1.35 1.30 1.16 - 20 [ 1.06 .. 1.71]
457-> PHE 51 HE* - VAL 88 HG1* [ 1.80 5.12] 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.43 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.04 .. 0.43]
462-> PHE 51 HB2 - VAL 88 HG1* [ 1.80 4.31] 0.88 0.86 1.14 1.24 0.92 0.74 1.30 0.91 0.65 0.62 0.84 0.90 1.07 0.41 0.87 0.74 0.78 0.77 0.51 0.72 - 20 [ 0.41 .. 1.30]
463-> ILE 53 HG2* - VAL 88 HG1* [ 1.80 3.52] 0.29 0.49 0.43 0.36 0.45 0.00 0.13 0.00 0.40 0.09 0.00 0.41 0.46 0.00 0.00 0.12 0.06 0.75 0.27 0.10 - 15 [ 0.06 .. 0.75]
464-> ILE 84 HD1* - VAL 88 HG1* [ 1.80 5.24] 1.93 1.95 1.98 2.19 1.90 1.35 1.90 0.70 1.84 1.75 1.68 1.94 1.89 2.01 1.61 1.93 0.68 1.93 1.70 1.60 - 20 [ 0.68 .. 2.19]
476-> ILE 12 HG13 - LEU 77 HD2* [ 1.80 5.77] 0.00 0.00 0.14 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.02 .. 0.14]
478-> ILE 23 HG12 - LEU 77 HD1* [ 1.80 5.19] 0.17 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.54 0.93 0.72 0.43 0.00 0.51 0.00 0.00 0.00 - 7 [ 0.17 .. 0.93]
499-> THR 10 HG2* - ILE 11 HB [ 1.80 4.91] 0.32 0.28 0.29 0.36 0.26 0.25 0.19 0.34 0.25 0.20 0.35 0.20 0.30 0.14 0.22 1.15 0.27 0.25 0.24 0.10 - 20 [ 0.10 .. 1.15]
510-> ILE 11 HG2* - ALA 50 HB* [ 1.80 4.32] 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.16 0.00 0.35 0.00 0.00 0.00 0.41 0.00 0.26 0.25 0.00 0.30 - 7 [ 0.16 .. 0.41]
520-> GLU 21 HN - THR 22 HG2* [ 1.80 5.03] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.99 .. 0.99]
525-> TRP 60 HZ2 - LEU 80 HD1* [ 1.80 6.33] 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 - 3 [ 0.42 .. 1.14]
529-> GLU 21 HG2 - THR 22 HG2* [ 1.80 4.27] 1.43 1.38 1.45 1.38 1.38 1.41 1.36 1.37 1.40 3.52 1.44 1.21 1.48 1.44 1.38 1.44 1.44 1.43 1.37 1.28 - 20 [ 1.21 .. 3.52]
536-> PHE 5 HE* - ILE 23 HG2* [ 1.80 4.49] 0.00 0.00 0.35 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.61 0.46 0.00 0.26 0.00 0.00 0.00 0.00 - 7 [ 0.00 .. 0.61]
537-> PHE 5 HD* - ILE 23 HG2* [ 1.80 6.33] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
538-> PHE 5 HD* - ILE 23 HG2* [ 1.80 6.33] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
550-> ILE 23 HG2* - THR 24 HG2* [ 1.80 4.47] 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.67 0.00 0.12 0.00 0.03 0.00 0.00 0.00 0.00 0.59 0.01 - 7 [ 0.01 .. 0.67]
551-> ILE 23 HG12 - THR 24 HG2* [ 1.80 6.33] 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 - 4 [ 1.11 .. 1.16]
582-> ILE 47 HG2* - PHE 51 HB3 [ 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 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
612-> VAL 76 HG2* - ASN 79 HD21 [ 1.80 4.58] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 - 1 [ 0.27 .. 0.27]
617-> GLU 72 HB2 - VAL 76 HG2* [ 1.80 4.43] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 - 1 [ 1.48 .. 1.48]
624-> GLU 21 HG3 - THR 22 HA [ 1.80 5.13] 1.41 1.45 1.44 1.41 1.48 1.47 1.44 1.45 1.49 1.46 1.48 1.48 1.47 1.43 1.45 1.46 1.45 1.44 1.45 1.50 - 20 [ 1.41 .. 1.50]
627-> GLU 21 HG3 - THR 22 HG2* [ 1.80 4.49] 0.55 0.65 0.59 0.57 0.68 0.67 0.64 0.60 0.73 2.95 0.74 0.53 0.71 0.59 0.66 0.68 0.70 0.58 0.63 0.66 - 20 [ 0.53 .. 2.95]
635-> PRO 19 HB2 - GLU 21 HG2 [ 1.80 3.30] 3.00 2.90 2.97 2.68 1.95 2.79 2.14 2.88 2.67 3.58 2.82 1.82 3.44 2.71 3.06 3.32 3.49 2.80 3.10 1.91 - 20 [ 1.82 .. 3.58]
636-> LEU 57 HB3 - GLU 58 HG2 [ 1.80 4.97] 2.06 2.02 2.07 1.99 2.00 2.10 1.97 2.06 2.06 2.13 2.05 2.02 2.05 2.07 2.08 2.09 0.00 1.86 2.09 2.10 - 19 [ 1.86 .. 2.13]
640-> GLN 62 HG3 - GLU 63 HA [ 1.80 5.08] 0.00 0.00 1.28 0.00 0.00 1.30 1.30 0.00 0.00 1.30 1.33 1.28 1.30 0.00 0.00 0.00 0.00 1.32 0.00 0.00 - 8 [ 1.28 .. 1.33]
648-> PRO 19 HG3 - THR 22 HG2* [ 1.80 4.81] 0.00 0.00 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 0.00 0.00 0.00 - 1 [ 0.75 .. 0.75]
655-> GLU 58 HG3 - LYS 59 HA [ 1.80 4.23] 1.05 0.98 0.95 1.05 1.02 0.95 1.07 1.02 1.10 1.07 0.93 1.08 1.07 1.04 0.95 1.00 2.31 1.10 1.06 0.99 - 20 [ 0.93 .. 2.31]
658-> GLU 72 HG2 - ASN 79 HD21 [ 1.80 6.23] 0.09 1.64 0.00 0.07 0.15 0.00 0.05 0.00 0.16 0.27 0.18 0.03 0.07 0.00 0.00 0.06 0.11 0.12 0.18 0.03 - 15 [ 0.03 .. 1.64]
660-> GLU 72 HG2 - ASN 79 HD22 [ 1.80 5.70] 1.09 2.59 0.93 1.27 1.06 0.63 1.13 0.99 1.15 1.13 1.09 1.08 1.10 1.02 0.81 1.15 1.01 1.30 1.17 0.98 - 20 [ 0.63 .. 2.59]
684-> ALA 29 HB* - ILE 35 HD1* [ 1.80 3.31] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 - 1 [ 0.29 .. 0.29]
686-> THR 10 HG2* - ILE 11 HD1* [ 1.80 3.89] 1.19 1.12 1.17 1.26 1.10 1.13 1.01 1.28 1.10 0.99 1.25 1.04 1.19 0.94 1.09 1.95 1.15 1.05 1.02 0.96 - 20 [ 0.94 .. 1.95]
694-> ARG 20 HE - ILE 23 HD1* [ 1.80 5.14] 2.94 0.15 2.93 3.15 0.31 0.38 2.37 2.24 0.34 1.17 0.61 2.76 1.51 3.14 1.16 0.00 1.14 2.89 2.15 0.05 - 19 [ 0.05 .. 3.15]
704-> ILE 12 HA - ILE 47 HD1* [ 1.80 6.33] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.62 0.00 0.18 0.00 0.00 0.48 - 4 [ 0.18 .. 0.62]
705-> ARG 20 HD3 - ILE 23 HD1* [ 1.80 5.05] 1.08 0.00 1.09 1.32 0.00 0.00 0.75 0.67 0.00 0.00 0.00 1.22 0.40 1.29 0.90 0.00 0.00 1.03 0.54 0.00 - 11 [ 0.40 .. 1.32]
706-> ILE 23 HD1* - LEU 77 HB3 [ 1.80 6.33] 0.52 0.12 0.38 0.50 0.32 0.61 0.60 0.11 0.07 0.00 0.13 0.53 0.07 0.31 0.39 0.54 0.28 0.30 0.44 0.40 - 19 [ 0.07 .. 0.61]
709-> ILE 47 HD1* - LEU 80 HD2* [ 1.80 3.39] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 - 1 [ 0.18 .. 0.18]
717-> ILE 53 HD1* - ILE 84 HN [ 1.80 5.27] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.17 .. 0.17]
732-> ILE 53 HD1* - VAL 88 HG1* [ 1.80 3.89] 1.15 1.16 1.08 1.29 1.19 0.82 1.01 0.42 0.81 0.75 0.98 0.96 1.23 0.60 0.79 0.93 0.33 1.11 0.79 0.94 - 20 [ 0.33 .. 1.29]
742-> ILE 53 HD1* - ILE 84 HD1* [ 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 0.17 0.00 0.00 0.00 0.07 0.00 0.00 - 2 [ 0.07 .. 0.17]
748-> PHE 40 HB3 - LEU 57 HD1* [ 1.80 4.84] 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.57 .. 0.57]
750-> LEU 33 HD1* - LEU 77 HN [ 1.80 5.54] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
752-> PHE 5 HD* - LEU 77 HD1* [ 1.80 4.82] 0.00 0.00 0.00 0.00 0.00 0.35 0.27 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.10 0.00 0.14 0.01 0.42 0.00 - 7 [ 0.01 .. 0.42]
755-> ALA 9 HA - LEU 77 HD1* [ 1.80 4.97] 0.00 0.00 0.00 0.00 0.00 0.36 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.33 0.00 0.57 0.00 - 5 [ 0.07 .. 0.57]
757-> ILE 23 HG13 - LEU 77 HD1* [ 1.80 5.11] 1.53 0.00 1.22 1.23 0.00 1.84 1.42 0.00 0.00 0.00 0.00 1.74 1.77 1.83 1.93 1.20 1.98 0.00 1.12 0.00 - 12 [ 1.12 .. 1.98]
760-> ILE 23 HG2* - LEU 77 HD1* [ 1.80 3.24] 0.00 0.00 0.00 0.00 0.00 0.64 0.66 0.00 0.00 0.00 0.00 0.00 0.03 0.04 0.63 0.00 0.63 0.00 0.63 0.00 - 7 [ 0.03 .. 0.66]
769-> LEU 55 HD2* - TRP 60 HN [ 1.80 6.33] 0.86 0.88 0.93 0.64 0.95 1.45 0.00 0.00 0.95 1.09 0.00 0.98 0.85 0.00 0.00 0.00 0.00 0.77 1.04 0.00 - 12 [ 0.64 .. 1.45]
772-> PHE 40 HE* - LEU 55 HD2* [ 1.80 4.80] 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 - 3 [ 0.10 .. 0.12]
773-> LEU 55 HD2* - TRP 60 HE3 [ 1.80 4.52] 0.00 0.00 0.00 0.00 0.06 0.55 0.00 0.00 0.06 0.20 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.33 0.22 0.00 - 7 [ 0.05 .. 0.55]
775-> LEU 55 HD2* - PRO 56 HA [ 1.80 4.95] 0.96 0.92 0.97 0.84 0.93 0.91 0.00 0.00 0.94 0.97 0.00 0.94 0.85 0.00 0.00 0.00 0.00 0.93 0.90 0.00 - 12 [ 0.84 .. 0.97]
777-> LEU 55 HA - LEU 55 HD2* [ 1.80 3.75] 0.13 0.12 0.11 0.12 0.11 0.13 0.00 0.00 0.11 0.13 0.00 0.14 0.13 0.00 0.00 0.00 0.00 0.11 0.12 0.00 - 12 [ 0.11 .. 0.14]
778-> LEU 55 HD2* - LEU 57 HA [ 1.80 3.91] 0.61 0.61 0.68 0.31 0.62 1.26 0.00 0.00 0.75 0.96 0.00 0.63 0.56 0.00 0.00 0.00 0.00 0.28 0.82 0.00 - 12 [ 0.28 .. 1.26]
779-> LEU 55 HD2* - PRO 56 HD2 [ 1.80 4.98] 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.06 .. 0.32]
780-> LEU 55 HD2* - PRO 56 HG2 [ 1.80 4.72] 1.27 1.38 1.40 1.24 1.38 2.11 0.00 0.00 1.41 1.69 0.00 1.35 1.22 0.00 0.00 0.00 0.00 1.09 1.64 0.00 - 12 [ 1.09 .. 2.11]
784-> LEU 41 HD2* - LEU 57 HD2* [ 1.80 3.14] 1.01 0.97 0.90 0.88 0.96 1.28 0.60 0.59 0.93 0.00 0.37 0.86 0.86 0.81 0.46 0.33 0.42 1.00 0.00 0.39 - 18 [ 0.33 .. 1.28]
785-> ALA 29 HN - LEU 77 HD2* [ 1.80 5.07] 1.65 0.00 1.90 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.75 1.81 0.00 1.85 0.00 0.00 0.00 0.00 - 7 [ 1.65 .. 1.90]
789-> PHE 40 HE* - LEU 77 HD2* [ 1.80 6.33] 0.41 0.00 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.62 0.53 0.00 0.45 0.00 0.00 0.00 0.00 - 7 [ 0.41 .. 0.90]
790-> VAL 76 HA - LEU 77 HD2* [ 1.80 4.73] 1.35 0.00 1.38 1.37 0.00 0.35 0.30 0.00 0.00 0.00 0.00 1.37 1.37 1.30 0.21 1.37 0.33 0.00 0.44 0.00 - 12 [ 0.21 .. 1.38]
791-> SER 27 HA - LEU 33 HD2* [ 1.80 5.64] 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.46 0.00 - 5 [ 0.46 .. 0.76]
792-> SER 27 HB3 - LEU 33 HD2* [ 1.80 4.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.01 .. 0.11]
794-> ASP 32 HB3 - LEU 33 HD2* [ 1.80 4.92] 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.75 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.80 0.72 0.00 - 6 [ 0.33 .. 0.92]
796-> ILE 12 HG12 - LEU 77 HD2* [ 1.80 5.77] 0.25 0.00 0.67 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.53 0.35 0.00 0.46 0.00 0.00 0.00 0.00 - 7 [ 0.25 .. 0.67]
797-> LEU 77 HD2* - LEU 80 HB3 [ 1.80 5.50] 0.00 0.00 0.23 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.10 0.08 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.01 .. 0.23]
798-> ALA 29 HB* - LEU 77 HD2* [ 1.80 4.35] 1.61 0.00 1.95 1.90 0.00 0.23 0.13 0.00 0.00 0.00 0.00 1.80 1.74 1.80 0.00 1.91 0.00 0.00 0.05 0.00 - 10 [ 0.05 .. 1.95]
802-> TRP 60 HZ2 - LEU 87 HD2* [ 1.80 5.43] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 - 1 [ 0.49 .. 0.49]
809-> ARG 7 HN - ARG 7 HD2 [ 1.80 5.54] 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.34 .. 0.34]
816-> ARG 20 HD2 - ILE 23 HD1* [ 1.80 5.05] 1.28 0.00 1.28 1.51 0.00 0.00 1.02 0.83 0.00 0.28 0.00 1.46 0.74 1.48 0.09 0.37 0.21 1.25 0.65 0.39 - 15 [ 0.09 .. 1.51]
817-> THR 24 HB - PRO 25 HD3 [ 1.80 4.26] 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 - 4 [ 0.48 .. 0.54]
818-> ILE 23 HG2* - PRO 25 HD3 [ 1.80 4.73] 0.34 0.00 0.37 0.44 0.21 0.12 0.18 0.00 0.00 0.00 0.10 0.51 0.55 0.40 0.15 0.43 0.21 0.00 0.00 0.25 - 14 [ 0.10 .. 0.55]
840-> GLU 26 HA - LYS 78 HE3 [ 1.80 5.45] 2.14 1.22 2.44 2.39 1.63 1.34 1.85 1.96 1.16 1.09 1.61 2.13 2.09 2.00 1.82 2.22 1.71 1.25 1.40 1.63 - 20 [ 1.09 .. 2.44]
842-> VAL 76 HG1* - LYS 78 HE3 [ 1.80 4.70] 1.96 1.82 2.18 2.09 1.72 1.55 1.72 1.90 1.76 1.71 1.58 2.01 2.04 1.90 1.79 1.97 1.64 2.09 1.75 1.61 - 20 [ 1.55 .. 2.18]
847-> THR 4 HG2* - PHE 5 HA [ 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 0.00 0.00 0.00 0.00 0.18 - 1 [ 0.18 .. 0.18]
849-> THR 4 HA - ALA 81 HB* [ 1.80 5.29] 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 - 2 [ 0.19 .. 0.32]
850-> THR 4 HB - ALA 82 HN [ 1.80 6.33] 0.29 0.50 0.60 0.47 0.00 0.45 0.00 0.00 0.00 0.21 0.00 0.33 0.61 0.21 0.04 0.35 0.00 0.61 0.25 0.76 - 14 [ 0.04 .. 0.76]
852-> ILE 47 HN - LEU 55 HD1* [ 1.80 5.89] 0.77 0.97 0.49 0.48 0.88 0.96 0.00 0.00 0.79 1.22 0.00 0.88 0.62 0.00 0.00 0.00 0.00 1.12 1.29 0.00 - 12 [ 0.48 .. 1.29]
855-> ALA 44 HA - LEU 55 HD1* [ 1.80 4.16] 0.78 0.92 0.62 0.58 0.85 0.89 0.00 0.00 0.81 1.05 0.00 0.77 0.71 0.00 0.00 0.00 0.00 1.04 1.04 0.00 - 12 [ 0.58 .. 1.05]
857-> ILE 47 HB - LEU 55 HD1* [ 1.80 4.73] 0.00 0.10 0.00 0.00 0.01 0.19 0.00 0.00 0.00 0.42 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.24 0.49 0.00 - 7 [ 0.01 .. 0.49]
863-> THR 4 HG2* - ALA 81 HN [ 1.80 6.01] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 - 1 [ 1.35 .. 1.35]
864-> THR 4 HG2* - ASP 85 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 0.00 0.00 0.00 0.00 0.00 0.14 - 1 [ 0.14 .. 0.14]
869-> THR 4 HG2* - ALA 81 HA [ 1.80 3.88] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 - 1 [ 1.31 .. 1.31]
870-> THR 4 HG2* - ARG 7 HB2 [ 1.80 4.93] 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.70 .. 0.70]
871-> THR 4 HG2* - ILE 84 HB [ 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 0.00 0.00 0.00 0.00 0.40 - 1 [ 0.40 .. 0.40]
872-> THR 4 HG2* - ARG 7 HG3 [ 1.80 5.24] 0.44 0.27 0.04 0.20 0.56 0.36 0.53 0.15 0.12 0.38 0.19 0.94 0.33 0.76 0.35 0.30 0.17 0.37 0.44 0.00 - 19 [ 0.04 .. 0.94]
873-> THR 4 HG2* - VAL 8 HG2* [ 1.80 3.54] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 - 1 [ 1.53 .. 1.53]
876-> LEU 33 HA - LEU 33 HD2* [ 1.80 3.47] 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.27 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.30 0.30 0.00 - 6 [ 0.27 .. 0.33]
877-> ASP 32 HB2 - LEU 33 HD2* [ 1.80 4.93] 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.06 .. 0.17]
881-> LEU 38 HA - LEU 41 HG [ 1.80 4.90] 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 - 2 [ 0.06 .. 0.33]
887-> LYS 59 HE2 - TRP 60 HE1 [ 1.80 6.33] 0.27 0.00 2.49 0.23 0.00 2.36 0.00 1.11 0.40 0.00 2.35 0.20 0.21 0.00 2.04 2.05 2.23 0.00 0.00 1.88 - 13 [ 0.20 .. 2.49]
888-> LYS 59 HE3 - TRP 60 HE1 [ 1.80 6.33] 0.00 0.51 2.10 0.00 0.20 1.81 0.23 0.63 0.00 0.58 1.79 0.00 0.00 0.62 1.42 1.45 1.66 0.65 0.49 1.32 - 15 [ 0.20 .. 2.10]
895-> GLU 86 HN - VAL 88 HG2* [ 1.80 5.53] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 - 2 [ 1.37 .. 1.41]
896-> LEU 87 HN - VAL 88 HG2* [ 1.80 5.88] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 - 2 [ 0.22 .. 0.22]
902-> LEU 33 HD1* - ILE 35 HD1* [ 1.80 3.19] 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.88 0.00 0.00 1.12 0.00 0.00 0.00 0.00 1.04 0.88 0.00 - 6 [ 0.82 .. 1.12]
903-> ILE 23 HA - LEU 77 HD1* [ 1.80 4.23] 1.42 0.00 1.18 1.10 0.00 1.53 0.88 0.00 0.00 0.00 0.00 1.59 2.22 1.94 1.83 1.02 1.92 0.00 0.61 0.00 - 12 [ 0.61 .. 2.22]
906-> LEU 77 HA - LEU 77 HD2* [ 1.80 3.55] 0.35 0.00 0.37 0.36 0.00 0.24 0.25 0.00 0.00 0.00 0.00 0.36 0.35 0.35 0.24 0.36 0.25 0.00 0.24 0.00 - 12 [ 0.24 .. 0.37]
908-> ALA 29 HA - LEU 77 HD2* [ 1.80 5.32] 1.15 0.00 1.68 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.34 1.45 0.00 1.45 0.00 0.00 0.00 0.00 - 7 [ 1.15 .. 1.68]
918-> THR 61 HG2* - ASN 65 HN [ 1.80 5.07] 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.32 0.27 0.00 0.00 0.34 - 5 [ 0.27 .. 0.57]
921-> ILE 12 HD1* - LEU 80 HD2* [ 1.80 4.01] 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.29 .. 0.29]
923-> GLU 72 HG3 - ASN 79 HD21 [ 1.80 5.49] 1.38 2.78 1.03 1.36 1.41 1.21 1.30 1.18 1.44 1.55 1.38 1.31 1.33 0.98 1.08 1.31 1.33 1.38 1.42 1.32 - 20 [ 0.98 .. 2.78]
928-> ILE 12 HD1* - LEU 80 HB2 [ 1.80 5.04] 0.00 0.90 0.00 0.00 0.55 1.35 0.59 2.05 1.06 0.17 1.70 0.00 0.00 0.00 1.40 0.00 1.28 1.00 0.32 1.54 - 13 [ 0.17 .. 2.05]
930-> PRO 19 HB2 - GLU 21 HG3 [ 1.80 4.59] 0.38 0.36 0.37 0.07 0.00 0.20 0.00 0.30 0.14 1.14 0.31 0.00 0.93 0.10 0.51 0.78 0.98 0.20 0.57 0.00 - 16 [ 0.07 .. 1.14]
934-> LEU 33 HB2 - ILE 35 HG13 [ 1.80 3.17] 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.24 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.69 0.27 0.00 - 6 [ 0.21 .. 0.69]
935-> LEU 33 HB2 - ILE 35 HG12 [ 1.80 5.05] 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.05 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.49 0.06 0.00 - 6 [ 0.01 .. 0.49]
938-> ALA 29 HB* - ILE 35 HG12 [ 1.80 5.20] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 - 1 [ 0.34 .. 0.34]
939-> ASP 36 HB2 - LEU 38 HD1* [ 1.80 5.95] 0.00 0.00 0.00 0.07 0.04 0.00 0.12 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 - 5 [ 0.04 .. 0.24]
949-> GLU 72 HG2 - VAL 76 HG1* [ 1.80 5.14] 0.34 0.58 0.23 0.34 0.37 0.22 0.19 0.28 0.35 0.56 0.34 0.37 0.49 0.20 0.08 0.32 0.35 0.00 0.35 0.27 - 19 [ 0.08 .. 0.58]
950-> GLU 72 HG3 - VAL 76 HG2* [ 1.80 4.20] 0.06 0.20 0.00 0.04 0.03 0.00 0.00 0.02 0.02 0.16 0.04 0.09 0.17 0.00 0.00 0.06 0.05 1.31 0.04 0.00 - 14 [ 0.02 .. 1.31]
954-> VAL 8 HG1* - ALA 81 HA [ 1.80 5.36] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 - 2 [ 0.07 .. 0.16]
985-> TYR 74 HD* - ARG 83 HE [ 1.80 4.95] 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 0.07 0.58 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.07 .. 0.58]
986-> TRP 60 HZ2 - TYR 74 HD* [ 1.80 5.44] 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.37 .. 0.37]
991-> TYR 74 HD* - ARG 83 HD3 [ 1.80 4.84] 0.00 1.32 0.87 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.14 .. 1.32]
992-> TYR 74 HD* - ARG 83 HG3 [ 1.80 4.84] 0.00 0.00 0.00 0.00 0.08 0.20 0.12 0.00 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.04 0.13 0.09 0.00 0.04 - 8 [ 0.04 .. 0.21]
997-> TYR 74 HE* - ARG 83 HD3 [ 1.80 5.39] 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 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 [ 0.86 .. 0.86]
1001-> TRP 60 HZ2 - ARG 83 HB2 [ 1.80 4.93] 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.05 0.00 - 4 [ 0.05 .. 1.70]
1002-> TRP 60 HZ2 - ARG 83 HB3 [ 1.80 4.93] 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.16 .. 0.16]
1004-> LEU 55 HD2* - TRP 60 HZ2 [ 1.80 5.08] 0.78 0.69 0.73 0.68 0.66 1.69 0.00 0.00 0.64 1.12 0.00 0.80 0.61 0.00 0.00 0.00 0.00 0.00 1.14 0.00 - 11 [ 0.61 .. 1.69]
1007-> LYS 59 HE2 - TRP 60 HD1 [ 1.80 6.33] 0.00 0.00 1.81 0.00 0.00 1.74 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 1.06 1.07 1.18 0.00 0.00 1.08 - 7 [ 1.06 .. 1.81]
1008-> LYS 59 HE3 - TRP 60 HD1 [ 1.80 6.33] 0.00 0.00 1.67 0.00 0.00 1.53 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.73 0.77 0.90 0.00 0.00 0.81 - 7 [ 0.73 .. 1.67]
1010-> TRP 60 HH2 - ARG 83 HN [ 1.80 6.08] 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.42 .. 0.42]
1011-> TRP 60 HH2 - ARG 83 HB2 [ 1.80 4.47] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.50 .. 0.50]
1014-> TRP 60 HH2 - ARG 83 HG2 [ 1.80 5.34] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 - 1 [ 0.44 .. 0.44]
1015-> TRP 60 HH2 - LEU 80 HD1* [ 1.80 3.84] 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 - 3 [ 0.96 .. 1.68]
1017-> LEU 55 HD2* - TRP 60 HH2 [ 1.80 3.88] 0.21 0.10 0.07 0.25 0.14 1.18 0.00 0.00 0.22 0.60 0.00 0.23 0.03 0.00 0.00 0.00 0.00 0.00 0.59 0.00 - 11 [ 0.03 .. 1.18]
1040-> ILE 30 HG2* - PHE 75 HE* [ 1.80 5.72] 0.00 0.00 0.00 0.00 0.00 0.00 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 - 1 [ 0.15 .. 0.15]
1041-> PHE 5 HZ - THR 24 HN [ 1.80 5.16] 0.40 0.00 0.68 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.99 1.11 0.00 0.61 0.00 0.00 0.00 0.00 - 7 [ 0.40 .. 1.11]
1042-> PHE 5 HZ - THR 24 HA [ 1.80 3.86] 0.00 0.00 0.21 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.29 0.31 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.06 .. 0.31]
1046-> PHE 5 HZ - PRO 25 HD2 [ 1.80 4.42] 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.21 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.09 - 5 [ 0.02 .. 0.21]
1048-> PHE 5 HZ - ILE 23 HB [ 1.80 5.92] 0.74 0.00 1.39 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.86 0.95 0.00 1.04 0.00 0.00 0.00 0.00 - 7 [ 0.74 .. 1.39]
1049-> PHE 5 HZ - LEU 77 HB2 [ 1.80 5.06] 0.59 0.00 0.33 0.31 0.00 0.59 0.17 0.00 0.00 0.00 0.00 0.58 0.56 0.66 0.31 0.54 0.35 0.00 0.00 0.00 - 11 [ 0.17 .. 0.66]
1050-> PHE 5 HZ - LEU 77 HD1* [ 1.80 4.29] 0.24 0.00 0.17 0.19 0.00 1.79 1.69 0.00 0.00 0.00 0.00 0.19 0.15 0.20 1.73 0.31 1.83 0.00 0.73 0.00 - 12 [ 0.15 .. 1.83]
1051-> PHE 5 HZ - ILE 23 HG2* [ 1.80 3.61] 0.63 0.00 1.08 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.17 1.10 0.00 0.93 0.00 0.00 0.00 0.00 - 7 [ 0.63 .. 1.17]
1052-> PHE 5 HZ - PRO 25 HG3 [ 1.80 5.28] 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 0.18 0.00 0.21 0.00 0.00 0.00 - 2 [ 0.18 .. 0.21]
1062-> PHE 51 HD* - VAL 88 HG1* [ 1.80 3.57] 0.00 0.00 0.07 0.27 0.00 0.00 0.03 0.73 0.00 0.00 0.41 0.08 0.03 0.00 0.23 0.01 0.27 0.00 0.00 0.29 - 11 [ 0.01 .. 0.73]
1087-> PHE 40 HZ - LEU 80 HB2 [ 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 0.00 0.59 0.00 0.00 - 1 [ 0.59 .. 0.59]
1089-> PHE 40 HZ - ILE 43 HD1* [ 1.80 4.78] 0.42 0.52 0.52 0.37 0.40 0.86 0.35 0.40 0.57 0.49 0.70 0.48 0.36 0.44 0.39 0.51 0.51 0.00 0.36 0.62 - 19 [ 0.35 .. 0.86]
1091-> HIS 28 HD2 - VAL 76 HA [ 1.80 4.13] 0.63 0.13 0.57 0.23 0.00 0.00 0.36 0.56 0.00 0.00 0.53 0.41 0.74 0.56 0.32 0.73 0.31 0.00 0.00 0.28 - 14 [ 0.13 .. 0.74]
1097-> PHE 45 HD* - ALA 46 HA [ 1.80 5.21] 0.72 0.69 0.72 0.72 0.69 0.77 0.00 0.73 0.72 0.79 0.75 0.72 0.72 0.74 0.74 0.75 0.74 0.73 0.77 0.72 - 19 [ 0.69 .. 0.79]
1100-> PHE 45 HD* - LYS 49 HD2 [ 1.80 5.29] 1.04 1.15 0.95 0.89 1.09 1.15 0.00 1.14 1.11 1.59 1.46 1.10 1.13 0.97 1.30 1.16 1.46 1.10 1.55 1.29 - 19 [ 0.89 .. 1.59]
1101-> PHE 45 HD* - LYS 49 HD3 [ 1.80 5.29] 2.29 2.43 2.20 2.14 2.39 2.47 0.46 2.41 2.40 2.91 2.79 2.34 2.40 2.21 2.56 2.43 2.76 2.37 2.88 2.61 - 20 [ 0.46 .. 2.91]
1102-> PHE 45 HD* - LYS 49 HG3 [ 1.80 5.34] 0.39 0.50 0.25 0.26 0.47 0.45 0.00 0.45 0.47 0.87 0.75 0.36 0.43 0.21 0.53 0.43 0.73 0.43 0.89 0.65 - 19 [ 0.21 .. 0.89]
1110-> TRP 60 HH2 - LEU 87 HD1* [ 1.80 4.65] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 - 1 [ 0.38 .. 0.38]
1114-> HIS 28 HD2 - GLU 72 HB2 [ 1.80 4.58] 0.00 0.21 0.01 0.12 0.70 0.66 0.06 0.17 0.60 0.82 0.03 0.02 0.00 0.16 0.23 0.00 0.23 0.57 0.54 0.04 - 17 [ 0.01 .. 0.82]
1115-> TRP 60 HH2 - ARG 83 HG3 [ 1.80 5.34] 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
1117-> TYR 74 HD* - ARG 83 HG2 [ 1.80 4.84] 0.00 0.00 0.00 0.00 0.00 0.25 0.24 0.00 0.00 0.00 0.28 0.01 0.06 0.00 0.00 0.16 0.22 0.12 0.04 0.00 - 9 [ 0.01 .. 0.28]
1118-> PHE 5 HZ - THR 24 HG2* [ 1.80 5.66] 0.00 0.00 0.15 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.22 0.23 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.03 .. 0.23]
1122-> PHE 5 HE* - LEU 77 HD1* [ 1.80 4.14] 0.00 0.00 0.00 0.00 0.00 0.33 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.27 0.00 0.00 0.00 - 4 [ 0.24 .. 0.33]
1128-> LYS 59 HB3 - TRP 60 HE1 [ 1.80 5.22] 0.00 0.00 0.38 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.20 0.09 0.23 0.00 0.00 0.00 - 6 [ 0.09 .. 0.38]
1134-> THR 61 HG2* - ASN 65 HD22 [ 1.80 4.38] 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.74 0.71 0.00 0.00 0.76 - 5 [ 0.71 .. 1.01]
1135-> ALA 69 HB* - GLN 73 HE21 [ 1.80 4.69] 0.00 1.34 0.00 0.00 1.02 0.58 0.00 0.00 0.10 0.91 0.00 0.00 0.00 0.00 0.77 0.64 0.00 0.34 0.00 0.47 - 9 [ 0.10 .. 1.34]
1137-> THR 61 HG2* - ASN 65 HD21 [ 1.80 4.38] 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 1.42 0.00 0.00 1.49 - 5 [ 1.42 .. 1.64]
1138-> ALA 69 HB* - GLN 73 HE22 [ 1.80 4.69] 0.00 1.86 0.00 0.00 1.96 1.50 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 1.39 1.55 0.00 1.12 0.00 1.37 - 8 [ 1.12 .. 1.96]
1157-> VAL 8 HG2* - ALA 81 HN [ 1.80 4.77] 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 - 2 [ 0.03 .. 0.40]
1161-> ARG 83 HN - ARG 83 HG2 [ 1.80 4.53] 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 0.13 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
1169-> GLN 62 HB3 - GLU 63 HN [ 1.80 3.54] 0.00 0.00 0.04 0.00 0.00 0.05 0.10 0.00 0.00 0.09 0.13 0.00 0.07 0.00 0.00 0.00 0.00 0.06 0.00 0.00 - 7 [ 0.04 .. 0.13]
1187-> ALA 9 HN - ALA 81 HB* [ 1.80 5.96] 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.00 0.37 0.00 0.09 0.00 0.00 0.28 - 5 [ 0.09 .. 0.37]
1193-> VAL 88 HN - VAL 88 HG1* [ 1.80 3.65] 0.13 0.12 0.12 0.13 0.12 0.12 0.12 0.00 0.11 0.12 0.13 0.13 0.12 0.12 0.11 0.12 0.00 0.12 0.11 0.12 - 18 [ 0.11 .. 0.13]
1202-> GLU 21 HN - GLU 21 HB3 [ 1.80 3.50] 0.11 0.09 0.11 0.10 0.08 0.08 0.08 0.09 0.08 0.07 0.08 0.09 0.08 0.09 0.08 0.09 0.07 0.10 0.08 0.08 - 20 [ 0.07 .. 0.11]
1223-> ALA 29 HN - LEU 33 HD1* [ 1.80 4.69] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.30 .. 0.30]
1238-> THR 61 HN - GLN 62 HB3 [ 1.80 5.68] 0.00 0.00 0.60 0.00 0.00 0.43 0.60 0.00 0.00 0.55 0.41 0.58 0.64 0.00 0.00 0.00 0.00 0.68 0.00 0.00 - 8 [ 0.41 .. 0.68]
1246-> ASP 32 HN - LEU 33 HD2* [ 1.80 5.26] 0.00 0.42 0.00 0.00 0.02 0.00 0.00 0.00 0.52 0.43 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.36 0.31 0.00 - 7 [ 0.02 .. 0.52]
1266-> CYS 16 HN - ILE 18 HD1* [ 1.80 4.95] 0.00 0.04 0.00 0.00 0.00 0.35 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 - 3 [ 0.04 .. 0.35]
1273-> SER 27 HN - LEU 77 HD1* [ 1.80 5.09] 0.78 0.00 0.71 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.78 0.75 0.00 0.58 0.00 0.00 0.00 0.00 - 7 [ 0.58 .. 0.78]
1274-> SER 27 HN - LEU 33 HD2* [ 1.80 5.76] 0.00 0.23 0.00 0.00 0.19 0.00 0.00 0.00 0.40 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.14 0.00 - 6 [ 0.14 .. 0.49]
1300-> GLU 21 HG2 - THR 22 HN [ 1.80 4.81] 0.42 0.45 0.45 0.45 0.46 0.46 0.46 0.43 0.48 0.45 0.47 0.46 0.49 0.45 0.43 0.49 0.51 0.45 0.45 0.46 - 20 [ 0.42 .. 0.51]
1305-> GLN 62 HA - GLN 62 HE22 [ 1.80 5.42] 0.00 0.00 0.60 0.00 0.00 0.60 0.60 0.00 0.00 0.60 0.60 0.59 0.60 0.00 0.00 0.00 0.00 0.60 0.00 0.00 - 8 [ 0.59 .. 0.60]
1312-> LEU 33 HN - LEU 33 HG [ 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 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.00 .. 0.22]
1314-> VAL 76 HB - ASN 79 HD21 [ 1.80 4.51] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 - 1 [ 0.34 .. 0.34]
1315-> VAL 76 HB - ASN 79 HD22 [ 1.80 4.65] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 - 1 [ 1.26 .. 1.26]
1316-> ASP 6 HA - ARG 20 HE [ 1.80 6.33] 5.35 1.58 5.53 4.91 1.64 1.39 5.13 6.35 1.29 0.25 1.37 4.84 0.63 3.89 0.00 2.88 0.06 3.66 4.88 0.00 - 18 [ 0.06 .. 6.35]
1317-> THR 10 HA - ARG 20 HE [ 1.80 6.33] 3.32 0.00 3.30 3.37 0.00 0.00 3.56 4.39 0.00 0.00 0.00 3.31 0.00 2.49 0.00 0.00 0.00 2.70 2.70 0.00 - 9 [ 2.49 .. 4.39]
1318-> ARG 20 HA - ARG 20 HE [ 1.80 6.33] 0.25 0.00 0.23 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.27 0.00 0.00 - 5 [ 0.23 .. 0.27]
1319-> ALA 9 HB* - ARG 20 HE [ 1.80 4.95] 4.22 0.56 3.99 3.86 0.70 0.53 3.67 4.11 0.55 0.27 0.51 3.69 0.29 3.38 0.00 1.11 0.16 3.03 3.41 0.00 - 18 [ 0.16 .. 4.22]
1326-> GLU 26 HN - VAL 76 HG1* [ 1.80 6.27] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 - 1 [ 0.62 .. 0.62]
1327-> GLU 26 HN - LEU 77 HD1* [ 1.80 6.33] 0.52 0.00 0.44 0.49 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.49 0.37 0.43 0.18 0.44 0.13 0.00 0.10 0.00 - 11 [ 0.10 .. 0.52]
1338-> GLY 67 HN - LYS 68 HG2 [ 1.80 5.43] 0.27 0.36 0.30 0.35 0.40 0.30 0.35 0.33 0.30 0.37 0.33 0.34 0.35 0.27 0.40 0.33 0.34 0.28 0.33 0.30 - 20 [ 0.27 .. 0.40]
1347-> LYS 91 HG3 - GLY 92 HN [ 1.80 4.93] 0.23 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.24 - 5 [ 0.17 .. 0.24]
1351-> LEU 33 HG - GLY 34 HN [ 1.80 5.03] 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.16 0.00 - 5 [ 0.16 .. 0.22]
1358-> GLU 72 HG2 - GLN 73 HN [ 1.80 5.08] 0.17 0.16 0.19 0.19 0.13 0.17 0.20 0.15 0.14 0.21 0.18 0.21 0.14 0.20 0.11 0.22 0.15 0.21 0.16 0.20 - 20 [ 0.11 .. 0.22]
1364-> GLN 73 HN - VAL 76 HG2* [ 1.80 6.33] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 - 1 [ 0.15 .. 0.15]
1384-> LYS 91 HN - LYS 91 HB3 [ 1.80 3.51] 0.09 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.10 0.00 0.11 0.00 0.00 0.10 0.00 0.00 0.00 0.11 - 6 [ 0.09 .. 0.11]
1385-> LYS 91 HN - LYS 91 HG2 [ 1.80 4.38] 0.00 0.26 0.13 0.00 0.25 0.00 0.12 0.13 0.13 0.26 0.00 0.14 0.00 0.09 0.12 0.00 0.26 0.27 0.26 0.00 - 13 [ 0.09 .. 0.27]
1387-> LYS 91 HN - LYS 91 HG3 [ 1.80 4.38] 0.00 0.11 0.11 0.00 0.09 0.00 0.11 0.12 0.11 0.12 0.00 0.11 0.00 0.12 0.10 0.00 0.10 0.12 0.09 0.00 - 13 [ 0.09 .. 0.12]
1389-> LEU 94 HN - LEU 94 HG [ 1.80 3.39] 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.05 1.08 - 5 [ 1.02 .. 1.08]
1409-> VAL 64 HN - ALA 69 HB* [ 1.80 4.92] 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 0.31 0.00 0.00 - 1 [ 0.31 .. 0.31]
1412-> VAL 76 HN - ASN 79 HD21 [ 1.80 4.77] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 - 1 [ 0.21 .. 0.21]
1427-> LYS 78 HD2 - ASN 79 HN [ 1.80 5.24] 0.31 0.19 0.26 0.29 0.29 0.27 0.22 0.20 0.21 0.24 0.27 0.23 0.26 0.03 0.24 0.24 0.23 0.10 0.18 0.25 - 20 [ 0.03 .. 0.31]
1433-> ALA 9 HB* - ARG 20 HH11 [ 1.80 5.20] 3.84 0.00 3.71 3.57 0.00 0.00 2.30 2.86 0.00 0.00 0.00 2.08 0.00 3.22 0.09 1.97 0.00 2.52 2.13 0.27 - 12 [ 0.09 .. 3.84]
1445-> ALA 93 HN - LEU 94 HG [ 1.80 5.04] 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 1.75 0.00 0.00 1.83 1.54 - 5 [ 1.53 .. 1.94]
1500-> ILE 84 HN - VAL 88 HG1* [ 1.80 6.33] 1.63 1.60 1.63 1.71 1.66 1.40 1.68 0.00 1.61 1.57 1.56 1.63 1.62 1.70 1.46 1.63 0.00 1.59 1.54 1.54 - 18 [ 1.40 .. 1.71]
1501-> THR 4 HG2* - ILE 84 HN [ 1.80 5.28] 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 0.00 0.00 0.00 0.00 1.02 - 1 [ 1.02 .. 1.02]
1517-> VAL 8 HG2* - ASP 85 HN [ 1.80 6.33] 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 0.00 0.13 - 2 [ 0.13 .. 0.19]
1523-> LEU 77 HD2* - LEU 80 HN [ 1.80 6.13] 0.26 0.00 0.36 0.25 0.00 0.49 0.44 0.00 0.00 0.00 0.00 0.34 0.40 0.46 0.32 0.23 0.42 0.00 0.52 0.00 - 12 [ 0.23 .. 0.52]
1527-> LEU 41 HN - LEU 41 HG [ 1.80 4.29] 0.19 0.18 0.17 0.18 0.19 0.20 0.18 0.18 0.17 0.00 0.18 0.20 0.19 0.21 0.21 0.18 0.19 0.27 0.00 0.19 - 18 [ 0.17 .. 0.27]
1537-> THR 4 HG2* - VAL 8 HN [ 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 - 1 [ 0.85 .. 0.85]
1577-> TRP 60 HH2 - ARG 83 HE [ 1.80 4.99] 0.62 1.06 1.54 1.28 0.57 1.14 0.48 1.58 0.70 0.53 0.55 0.40 0.45 0.00 1.06 0.81 0.59 1.01 0.65 0.92 - 20 [ 0.00 .. 1.58]
1579-> ARG 83 HA - ARG 83 HE [ 1.80 4.55] 1.27 0.25 0.24 0.25 1.25 1.28 1.24 0.22 1.25 1.25 1.28 1.27 1.29 0.34 0.00 1.28 1.25 1.24 1.25 1.26 - 19 [ 0.22 .. 1.29]
1586-> PHE 75 HN - VAL 76 HG2* [ 1.80 5.42] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 - 1 [ 0.65 .. 0.65]
1599-> ARG 7 HN - ARG 7 HG2 [ 1.80 4.44] 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.18 .. 0.18]
1607-> ALA 44 HN - LEU 55 HD1* [ 1.80 6.33] 0.71 0.82 0.64 0.57 0.78 0.67 0.00 0.00 0.72 0.75 0.00 0.68 0.68 0.00 0.00 0.00 0.00 0.93 0.79 0.00 - 12 [ 0.57 .. 0.93]
1626-> ARG 20 HH11 - ILE 23 HB [ 1.80 6.33] 1.93 1.45 1.92 1.89 1.05 1.43 2.22 2.42 1.64 1.84 1.77 2.23 1.77 1.89 0.61 2.04 1.66 1.93 2.42 0.98 - 20 [ 0.61 .. 2.42]
1627-> THR 10 HB - ARG 20 HH11 [ 1.80 6.33] 4.73 0.00 4.79 4.66 0.00 0.00 3.51 4.67 0.00 0.00 0.00 2.97 0.00 4.01 2.67 0.00 0.00 3.93 2.49 1.08 - 11 [ 1.08 .. 4.79]
1628-> THR 10 HB - ARG 20 HH12 [ 1.80 6.33] 6.34 0.00 6.38 6.24 0.00 0.00 4.87 6.11 0.00 0.00 0.00 4.28 0.00 5.54 3.64 0.00 0.00 5.51 3.81 0.75 - 11 [ 0.75 .. 6.38]
1639-> PHE 5 HB2 - LYS 78 HB* [ 1.80 5.38] 1.22 1.43 0.77 0.93 0.90 1.12 0.62 0.00 0.66 1.29 0.28 1.17 1.13 1.39 0.64 1.21 0.60 1.72 1.08 0.71 - 19 [ 0.28 .. 1.72]
1642-> ARG 7 HD* - THR 10 HG2* [ 1.80 6.14] 0.46 0.64 0.43 0.35 0.69 0.00 0.00 0.84 0.34 0.62 0.93 0.22 0.74 0.31 0.18 0.42 0.80 0.86 0.66 0.44 - 18 [ 0.18 .. 0.93]
1646-> ALA 9 HB* - ARG 20 HD* [ 1.80 4.17] 2.42 0.00 2.23 2.11 0.00 0.00 1.68 2.11 0.00 0.00 0.00 1.64 0.00 1.70 0.00 1.01 0.00 1.33 1.51 0.00 - 10 [ 1.01 .. 2.42]
1647-> THR 10 HA - ARG 20 HD* [ 1.80 4.65] 1.75 0.00 1.74 1.79 0.00 0.00 1.80 2.56 0.00 0.00 0.00 1.60 0.00 1.05 0.00 0.00 0.00 1.17 1.00 0.00 - 9 [ 1.00 .. 2.56]
1648-> THR 10 HB - ARG 20 HD* [ 1.80 5.18] 3.28 0.00 3.36 3.27 0.00 0.00 3.47 4.31 0.00 0.00 0.00 3.05 0.00 2.64 0.30 0.00 0.00 2.66 2.70 0.86 - 11 [ 0.30 .. 4.31]
1649-> THR 10 HB - ARG 20 HH2* [ 1.80 6.14] 6.12 0.48 6.17 6.07 0.48 0.50 5.89 6.89 0.48 0.62 0.47 5.37 0.60 5.32 1.36 0.00 0.63 5.43 5.01 0.00 - 18 [ 0.47 .. 6.89]
1650-> THR 10 HG2* - GLU 14 HG* [ 1.80 4.36] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 - 1 [ 0.26 .. 0.26]
1651-> THR 10 HG2* - ARG 20 HD* [ 1.80 6.14] 0.00 0.00 0.03 0.04 0.00 0.00 0.45 1.17 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.01 .. 1.17]
1657-> ILE 12 HG1* - ILE 43 HG12 [ 1.80 5.11] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.26 .. 0.26]
1659-> ILE 12 HG1* - LEU 77 HD2* [ 1.80 4.81] 0.35 0.00 0.65 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.58 0.47 0.00 0.45 0.00 0.00 0.00 0.00 - 7 [ 0.35 .. 0.65]
1662-> ALA 13 HB* - ARG 20 HD* [ 1.80 4.06] 0.55 0.00 0.53 0.74 0.00 0.00 0.79 0.89 0.00 0.00 0.00 0.98 0.00 0.43 0.05 0.00 0.00 0.58 0.08 0.30 - 11 [ 0.05 .. 0.98]
1683-> PRO 19 HG* - THR 22 HG2* [ 1.80 3.85] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.26 .. 0.26]
1687-> ARG 20 HA - ARG 20 HD* [ 1.80 4.08] 0.16 0.00 0.16 0.17 0.00 0.00 0.17 0.16 0.00 0.00 0.00 0.17 0.00 0.17 0.00 0.00 0.00 0.17 0.17 0.00 - 9 [ 0.16 .. 0.17]
1693-> ARG 20 HD* - ILE 23 HD1* [ 1.80 4.24] 1.30 0.00 1.31 1.51 0.00 0.00 1.04 0.92 0.00 0.24 0.05 1.45 0.75 1.49 0.61 0.40 0.21 1.27 0.78 0.36 - 16 [ 0.05 .. 1.51]
1702-> GLU 26 HA - LYS 78 HE* [ 1.80 4.70] 2.02 1.37 2.22 2.22 1.70 1.42 1.82 1.87 1.25 1.24 1.59 1.99 1.98 1.91 1.81 2.11 1.71 1.43 1.48 1.64 - 20 [ 1.24 .. 2.22]
1723-> ASP 36 HB* - LEU 38 HD2* [ 1.80 5.35] 0.06 0.15 0.08 0.12 0.13 0.00 0.17 0.16 0.00 0.27 0.12 0.09 0.09 0.00 0.08 0.00 0.21 0.00 0.08 0.08 - 15 [ 0.06 .. 0.27]
1733-> PHE 45 HD* - LYS 49 HD* [ 1.80 4.44] 1.59 1.70 1.50 1.46 1.64 1.70 0.00 1.69 1.66 2.10 1.99 1.64 1.68 1.52 1.83 1.70 1.98 1.65 2.07 1.83 - 19 [ 1.46 .. 2.10]
1735-> PHE 45 HE* - LYS 49 HD* [ 1.80 5.23] 2.50 2.61 2.38 2.35 2.53 2.61 0.00 2.60 2.59 3.10 2.92 2.52 2.56 2.37 2.78 2.61 2.90 2.57 3.08 2.75 - 19 [ 2.35 .. 3.10]
1736-> PHE 45 HE* - LYS 49 HE* [ 1.80 6.14] 0.37 0.57 0.27 0.23 0.51 0.66 0.00 0.54 0.57 1.19 1.02 0.38 0.47 0.23 0.72 0.56 0.90 0.49 1.21 0.80 - 19 [ 0.23 .. 1.21]
1743-> PHE 51 HB3 - LYS 91 HE* [ 1.80 5.98] 1.12 0.83 0.00 0.00 0.89 1.14 0.00 2.30 0.00 0.98 1.43 0.00 0.00 0.00 0.00 1.11 1.15 0.00 0.48 1.23 - 11 [ 0.48 .. 2.30]
1751-> ILE 53 HG2* - LYS 91 HE* [ 1.80 4.45] 0.00 0.14 0.00 0.00 0.11 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 - 4 [ 0.06 .. 0.21]
1760-> PRO 56 HG3 - LYS 59 HE* [ 1.80 6.01] 0.00 0.33 0.00 0.00 0.04 0.41 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 - 5 [ 0.01 .. 0.41]
1768-> LYS 59 HG* - TRP 60 HD1 [ 1.80 5.04] 0.00 0.00 0.61 0.00 0.00 0.42 0.00 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 - 3 [ 0.08 .. 0.61]
1769-> LYS 59 HG* - GLU 63 HG* [ 1.80 5.29] 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.05 0.24 0.62 0.00 0.00 0.70 - 6 [ 0.05 .. 1.41]
1770-> LYS 59 HE* - GLU 63 HG* [ 1.80 5.51] 0.00 0.00 1.29 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 1.35 1.56 1.90 0.00 0.00 1.99 - 7 [ 1.29 .. 2.74]
1772-> TRP 60 HZ2 - ARG 83 HB* [ 1.80 4.26] 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.68 .. 0.68]
1773-> TRP 60 HZ2 - ARG 83 HG* [ 1.80 5.38] 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.18 .. 0.18]
1775-> TRP 60 HH2 - ARG 83 HG* [ 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 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 - 1 [ 0.27 .. 0.27]
1776-> THR 61 HG2* - ASN 65 HD2* [ 1.80 3.71] 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.10 1.07 0.00 0.00 1.12 - 5 [ 1.07 .. 1.31]
1777-> GLN 62 HA - GLN 62 HE2* [ 1.80 4.66] 0.00 0.00 0.09 0.00 0.00 0.10 0.09 0.00 0.00 0.09 0.08 0.08 0.09 0.00 0.00 0.00 0.00 0.09 0.00 0.00 - 8 [ 0.08 .. 0.10]
1780-> GLN 62 HE2* - ASN 65 HB2 [ 1.80 4.74] 0.00 0.00 1.73 0.00 0.00 1.91 1.43 0.00 0.00 1.53 1.30 1.74 1.66 0.00 0.00 0.00 0.00 1.60 0.00 0.00 - 8 [ 1.30 .. 1.91]
1782-> GLU 63 HN - GLU 63 HG* [ 1.80 3.73] 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 - 2 [ 0.23 .. 0.25]
1815-> ALA 69 HA - GLN 73 HE2* [ 1.80 5.22] 0.00 2.57 0.00 0.00 1.04 0.68 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 1.69 0.72 0.00 0.43 0.00 0.22 - 8 [ 0.22 .. 2.57]
1816-> ALA 69 HB* - GLN 73 HE2* [ 1.80 4.12] 0.00 1.45 0.00 0.00 1.28 0.87 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.97 0.92 0.00 0.63 0.00 0.77 - 8 [ 0.63 .. 1.45]
1825-> TYR 74 HD* - ARG 83 HG* [ 1.80 3.88] 0.29 0.00 0.00 0.00 0.45 0.63 0.59 0.00 0.25 0.36 0.65 0.33 0.35 0.00 0.00 0.52 0.58 0.52 0.38 0.43 - 14 [ 0.25 .. 0.65]
1831-> VAL 76 HG1* - LYS 78 HG* [ 1.80 3.35] 1.12 1.06 1.24 1.22 0.92 0.71 0.92 1.07 0.91 0.86 0.81 1.15 1.16 1.06 0.96 1.16 0.84 0.97 0.91 0.83 - 20 [ 0.71 .. 1.24]
1832-> VAL 76 HG1* - LYS 78 HE* [ 1.80 4.07] 1.64 1.56 1.83 1.75 1.43 1.25 1.43 1.58 1.44 1.41 1.30 1.68 1.71 1.59 1.48 1.67 1.35 1.58 1.45 1.32 - 20 [ 1.25 .. 1.83]
1840-> LYS 78 HE* - ASN 79 HN [ 1.80 4.99] 0.52 0.40 0.47 0.52 0.55 0.45 0.43 0.43 0.39 0.48 0.45 0.45 0.48 0.23 0.48 0.46 0.44 0.29 0.39 0.47 - 20 [ 0.23 .. 0.55]
1841-> LYS 78 HE* - ASN 79 HD22 [ 1.80 5.19] 1.28 1.12 1.27 1.12 1.36 1.30 1.08 1.09 1.29 1.47 1.14 1.27 1.38 0.80 1.18 1.07 1.39 0.64 1.26 1.24 - 20 [ 0.64 .. 1.47]
1849-> ARG 83 HN - ARG 83 HG* [ 1.80 3.96] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
1869-> VAL 88 HA - LYS 91 HD* [ 1.80 4.80] 0.92 0.74 0.00 0.00 0.73 0.63 0.00 0.00 0.00 0.73 0.65 0.00 0.00 0.00 0.00 0.80 0.00 0.08 0.69 0.77 - 10 [ 0.08 .. 0.92]
1870-> VAL 88 HA - LYS 91 HE* [ 1.80 4.72] 1.23 1.74 0.68 0.00 1.71 0.88 0.56 1.06 0.76 1.82 0.92 0.92 0.00 0.74 0.45 1.05 1.00 1.21 1.67 1.04 - 18 [ 0.45 .. 1.82]
1871-> VAL 88 HG1* - LYS 91 HE* [ 1.80 4.92] 2.15 1.73 0.16 0.00 1.63 1.81 0.00 2.46 0.24 1.77 1.86 0.36 0.00 0.00 0.00 1.98 2.25 1.11 1.50 1.95 - 15 [ 0.16 .. 2.46]
1872-> ALA 89 HA - LYS 91 HE* [ 1.80 6.14] 2.60 2.71 2.06 0.00 2.74 2.48 1.94 2.56 1.96 2.81 2.45 2.06 0.00 1.68 1.82 2.44 2.39 2.51 2.61 2.48 - 18 [ 1.68 .. 2.81]
1873-> LYS 91 HN - LYS 91 HG* [ 1.80 3.81] 0.00 0.25 0.20 0.00 0.24 0.00 0.20 0.20 0.20 0.26 0.00 0.21 0.00 0.19 0.19 0.00 0.24 0.26 0.24 0.00 - 13 [ 0.19 .. 0.26]
1878-> LYS 91 HG* - GLY 92 HN [ 1.80 4.19] 0.10 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.10 - 5 [ 0.06 .. 0.11]
1879-> LYS 91 HG* - GLY 92 HA3 [ 1.80 6.14] 0.11 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.08 - 6 [ 0.00 .. 0.12]
1880-> GLY 92 HA2 - GLU 95 HB* [ 1.80 5.23] 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.34 .. 0.34]
-------------------------------------------
Number of Violations greater than 0.10 133 123 138 126 103 159 104 103 105 129 109 132 123 120 113 134 118 155 140 122
-------------------------------------------
---- 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: 11 16 14 12 10 18 17 11 14 9 16 10 12 14 12 7 12 14 14 10 12.65
0.2 - 0.5 ang: 28 24 26 32 18 40 20 24 23 32 24 29 29 32 32 30 35 44 29 28 28.95
> 0.5 ang: 94 83 98 82 75 101 67 68 68 88 69 93 82 74 69 97 71 97 97 84 82.85
Total : 149 134 153 144 117 173 119 117 117 147 122 156 148 137 126 144 130 175 160 141 140.45
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 : 8.909 3.416 9.076 8.470 3.306 3.083 7.056 8.424 3.173 3.580 3.309 6.577 3.443 7.455 3.640 4.391 3.486 7.200 6.774 3.012 9.076
Max Intra Viol : 1.268 0.292 0.605 1.058 1.249 1.283 1.242 0.261 1.249 1.250 1.275 1.270 1.292 0.353 0.271 1.278 1.249 1.240 1.254 1.257 1.292
Max Seque Viol : 2.063 2.021 2.492 1.993 2.000 2.357 1.975 2.061 2.065 3.516 2.353 2.015 2.047 2.069 2.077 2.091 2.309 1.860 2.089 2.097 3.516
Max Medium Viol : 3.002 2.904 2.975 3.153 2.739 2.795 2.368 2.895 2.665 3.580 2.917 2.757 3.443 3.137 3.057 3.316 3.486 2.895 3.100 2.751 3.580
Max Long Viol : 8.909 3.416 9.076 8.470 3.306 3.083 7.056 8.424 3.173 2.501 3.309 6.577 2.243 7.455 3.640 4.391 2.305 7.200 6.774 3.012 9.076
Average Violation : 0.097 0.065 0.100 0.090 0.054 0.077 0.070 0.083 0.048 0.068 0.055 0.086 0.060 0.079 0.055 0.078 0.057 0.090 0.087 0.061 0.07300
Avge Intra Viol : 0.007 0.004 0.007 0.007 0.006 0.008 0.008 0.003 0.006 0.007 0.008 0.009 0.008 0.006 0.003 0.008 0.006 0.009 0.010 0.007 0.00685
Avge Seque Viol : 0.119 0.128 0.101 0.086 0.113 0.136 0.069 0.101 0.080 0.139 0.105 0.102 0.091 0.093 0.111 0.135 0.118 0.131 0.121 0.129 0.11033
Avge Mediu Viol : 0.038 0.046 0.059 0.040 0.034 0.061 0.031 0.030 0.048 0.066 0.052 0.040 0.043 0.030 0.040 0.058 0.042 0.040 0.051 0.044 0.04464
Avge Long Viol : 0.226 0.085 0.232 0.224 0.069 0.109 0.170 0.199 0.061 0.065 0.059 0.194 0.097 0.189 0.070 0.112 0.064 0.181 0.167 0.069 0.13218
RMS Violation : 0.551 0.316 0.560 0.525 0.280 0.328 0.441 0.539 0.256 0.323 0.290 0.445 0.284 0.465 0.283 0.363 0.291 0.462 0.447 0.287 0.40031
RMS Intra : 0.065 0.030 0.043 0.058 0.063 0.071 0.068 0.024 0.063 0.068 0.082 0.071 0.072 0.035 0.023 0.081 0.063 0.072 0.082 0.079 0.06347
RMS Sequential : 0.454 0.465 0.413 0.388 0.420 0.456 0.316 0.428 0.348 0.493 0.414 0.403 0.382 0.393 0.409 0.463 0.450 0.452 0.458 0.434 0.42399
RMS Medium range : 0.206 0.223 0.288 0.220 0.196 0.285 0.186 0.180 0.232 0.319 0.258 0.212 0.221 0.184 0.221 0.276 0.232 0.201 0.243 0.229 0.23358
RMS Long range : 0.977 0.376 0.992 0.943 0.318 0.377 0.794 0.968 0.294 0.275 0.312 0.758 0.355 0.819 0.331 0.484 0.291 0.776 0.724 0.299 0.63464
Final --global-- Summary for 20 models, 1883 NOEs/model, 37660 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 2749.316
Summ sq. viol : 6034.827
Maximum viol : 9.076
Average viol : 0.07300
RMSD viol : 0.40031
Std. Dev. viol : 0.39359
RMS Intra : 0.06347
RMS Seque : 0.42399
RMS Medi : 0.23358
RMS Long : 0.63464
table of dihedral angle constraints violations
2-> [THR A 2] PSI 103.5 155.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 17.8 0.0 15.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 17.8]
3-> [SER A 3] PHI -144.9 -40.7 0.0 0.0 0.0 0.0 4.8 0.0 0.0 0.0 0.0 0.0 0.0 16.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 16.5]
17-> [THR A 10] PHI -85.4 -45.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.8 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 10.8]
22-> [ILE A 12] PSI -64.4 -24.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 4.5]
24-> [ALA A 13] PSI -64.5 -24.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.8 0.0 0.0 0.0 0.0 0.0 0.0 6.1 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 10.8]
25-> [GLU A 14] PHI -86.5 -46.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 31.1 0.0 0.0 9.7 0.0 0.0 0.0 20.1 0.0 5.3 0.0 0.0 10.3 - 5 [ 0.0 .. 31.1]
27-> [THR A 15] PHI -88.4 -45.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 5.9]
31-> [ILE A 18] PHI -169.4 -78.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 6.4]
35-> [ARG A 20] PSI -56.3 -16.3 0.0 0.0 0.0 0.0 4.7 1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 4.7]
38-> [THR A 22] PHI -122.4 -81.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 7.4]
39-> [THR A 22] PSI -34.3 26.8 0.0 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 - 1 [ 0.0 .. 6.3]
41-> [ILE A 23] PSI 104.5 166.3 0.0 0.0 0.0 2.6 7.8 0.0 2.3 0.0 0.0 0.0 0.0 7.9 0.0 0.0 0.0 2.8 0.0 7.9 0.0 1.7 - 7 [ 0.0 .. 7.9]
45-> [GLU A 26] PHI -111.4 -71.4 0.0 0.0 0.0 0.0 0.7 0.0 0.0 0.0 4.6 6.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.8 1.8 0.0 - 5 [ 0.0 .. 6.3]
46-> [GLU A 26] PSI -27.7 19.8 0.0 0.0 0.0 0.0 0.3 0.0 0.0 0.0 1.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.1 0.0 0.0 - 3 [ 0.0 .. 1.4]
53-> [ILE A 30] PHI -85.3 -45.3 12.9 18.2 4.8 15.0 19.7 18.2 0.0 14.0 18.6 18.1 14.4 13.8 9.4 12.9 12.8 14.7 7.1 15.9 16.8 7.0 - 20 [ 0.0 .. 19.7]
58-> [ASP A 36] PSI 142.6 -172.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 7.1]
61-> [LEU A 38] PHI -85.0 -45.0 12.5 0.0 7.6 14.0 7.3 0.0 12.5 8.6 0.0 0.0 0.0 5.1 9.9 6.4 2.3 3.2 15.7 4.0 5.8 4.9 - 15 [ 0.0 .. 15.7]
83-> [LYS A 49] PHI -82.9 -42.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.3 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.3]
94-> [LYS A 54] PSI 88.5 152.6 0.0 1.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.3]
97-> [PRO A 56] PSI 86.9 -168.4 24.6 22.3 24.1 22.1 22.0 22.3 16.3 18.9 21.8 26.2 18.4 21.9 23.5 15.5 18.1 16.9 18.3 20.8 24.9 15.3 - 20 [ 15.3 .. 26.2]
106-> [THR A 61] PHI -84.0 -44.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 11.1 11.6 0.0 0.0 15.8 - 3 [ 0.0 .. 15.8]
107-> [THR A 61] PSI -59.0 -19.0 0.0 0.0 0.0 0.0 0.0 2.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.8 4.1 0.0 0.0 4.0 - 4 [ 0.0 .. 4.1]
117-> [ASP A 66] PSI -18.3 21.7 0.0 0.0 0.0 1.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.8]
124-> [THR A 71] PHI -79.3 -39.3 10.5 0.0 0.0 0.0 3.0 0.0 0.0 1.1 7.5 4.3 0.0 0.0 3.2 0.0 1.0 0.0 2.7 0.0 0.3 0.0 - 9 [ 0.0 .. 10.5]
162-> [ALA A 93] PHI -86.5 -44.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.2 - 1 [ 0.0 .. 2.2]
---- 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 : 0 1 2 2 5 2 1 4 3 5 2 2 3 2 3 3 4 4 2 5 2.75
> 10. degrees : 4 2 1 3 2 2 2 4 2 2 2 4 1 3 3 4 3 2 2 3 2.55
Total : 4 3 3 5 9 4 4 9 5 7 4 6 4 5 6 8 7 8 5 8 5.70
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 : 24.6 22.3 24.1 22.1 22.0 22.3 16.3 31.1 21.8 26.2 18.4 21.9 23.5 15.5 20.1 16.9 18.3 20.8 24.9 15.8 31.06
Max PHI Viol : 12.9 18.2 7.6 15.0 19.7 18.2 12.5 31.1 18.6 18.1 14.4 16.5 9.9 12.9 20.1 14.7 15.7 15.9 16.8 15.8 31.06
Max PSI Viol : 24.6 22.3 24.1 22.1 22.0 22.3 16.3 18.9 21.8 26.2 18.4 21.9 23.5 15.5 18.1 16.9 18.3 20.8 24.9 15.3 26.24
Average Violation : 0.4 0.3 0.2 0.3 0.4 0.3 0.2 0.6 0.3 0.5 0.3 0.5 0.3 0.3 0.4 0.4 0.4 0.3 0.3 0.4 0.348
Avge PHI Viol : 0.666 0.474 0.392 0.599 0.662 0.474 0.393 0.870 0.616 0.667 0.609 0.661 0.527 0.528 0.668 0.701 0.723 0.529 0.551 0.705 0.612
Avge PSI Viol : 0.541 0.530 0.536 0.562 0.643 0.565 0.471 0.638 0.525 0.687 0.468 0.753 0.529 0.603 0.536 0.518 0.517 0.605 0.544 0.500 0.568
RMS Violation : 2.506 2.242 2.004 2.362 2.507 2.255 1.609 3.274 2.338 2.717 2.021 2.857 2.130 2.036 2.384 2.157 2.228 2.165 2.384 2.038 2.336
RMS PHI Viol : 2.312 2.025 1.003 2.282 2.416 2.022 1.388 3.969 2.286 2.328 2.040 2.455 1.559 1.639 2.662 2.400 2.398 1.849 1.986 2.313 2.242
RMS PSI Viol : 2.681 2.434 2.631 2.436 2.592 2.459 1.796 2.422 2.386 3.046 2.003 3.197 2.563 2.355 2.082 1.893 2.051 2.431 2.712 1.732 2.424
Final --global-- Summary for 20 models, 165 ACOs/model, 3300 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 1148.07
Summ. Sq. Viol. : 18015.12
Max. Viol. : 31.058
Avg. Viol. : 0.34790
RMS Viol. : 2.33648
Std. Dev. Viol. : 2.31043
JPEG image for inter-residue distance constraints per residue plot
S(phi)|S(psi) V/S Residue number
Text output from PDBStat of phi psi order
# CHAIN .GT. SUM.GT.
# RES ID DIH S(phi) S(psi) S(chi1) S(chi2) S(chi3) S(chi4) S(chi5) 0.90 1.6
# -----------------------------------------------------------------------------------
MET A 1 0.141 0.739 0.506 0.328
THR A 2 0.946 0.953 0.728 2 2
SER A 3 0.918 0.989 0.940 3 3
THR A 4 0.997 0.994 0.924 4 4
PHE A 5 0.998 0.998 0.998 0.996 5 5
ASP A 6 0.997 0.998 0.939 0.933 6 6
ARG A 7 0.999 0.997 0.930 0.926 0.559 0.532 1.000 7 7
VAL A 8 0.997 0.999 1.000 8 8
ALA A 9 0.999 0.999 9 9
THR A 10 0.992 0.996 0.924 10 10
ILE A 11 0.999 0.999 1.000 1.000 11 11
ILE A 12 0.997 0.994 0.916 1.000 12 12
ALA A 13 0.996 0.982 13 13
GLU A 14 0.980 0.998 0.999 1.000 1.000 14 14
THR A 15 0.987 0.999 1.000 15 15
CYS A 16 0.992 0.988 0.916 16 16
ASP A 17 0.997 0.990 0.679 0.865 17 17
ILE A 18 0.976 0.999 0.999 0.447 18 18
PRO A 19 0.996 0.992 0.942 0.888 19 19
ARG A 20 0.997 0.990 0.112 0.997 0.440 0.675 1.000 20 20
GLU A 21 0.995 0.999 1.000 1.000 1.000 21 21
THR A 22 0.993 0.983 0.922 22 22
ILE A 23 0.965 0.992 0.999 1.000 23 23
THR A 24 0.991 0.979 0.711 24 24
PRO A 25 0.999 0.998 0.945 0.885 25 25
GLU A 26 0.984 0.977 1.000 1.000 1.000 26 26
SER A 27 0.995 0.973 0.999 27 27
HIS A 28 0.994 0.992 1.000 0.997 28 28
ALA A 29 0.996 0.998 29 29
ILE A 30 0.996 1.000 1.000 1.000 30 30
ASP A 31 0.999 1.000 1.000 1.000 31 31
ASP A 32 0.999 1.000 0.999 0.959 32 32
LEU A 33 0.998 0.987 0.971 0.609 33 33
GLY A 34 0.987 0.999 34 34
ILE A 35 0.994 0.996 1.000 1.000 35 35
ASP A 36 0.995 0.980 0.836 0.938 36 36
SER A 37 0.995 0.998 1.000 37 37
LEU A 38 0.992 0.998 1.000 1.000 38 38
ASP A 39 0.998 0.999 0.999 0.992 39 39
PHE A 40 0.999 0.999 0.998 0.697 40 40
LEU A 41 0.997 0.999 0.883 0.872 41 41
ASP A 42 1.000 1.000 1.000 1.000 42 42
ILE A 43 1.000 0.999 1.000 1.000 43 43
ALA A 44 1.000 0.999 44 44
PHE A 45 0.999 0.999 0.932 0.947 45 45
ALA A 46 1.000 1.000 46 46
ILE A 47 1.000 1.000 1.000 1.000 47 47
ASP A 48 1.000 0.999 0.897 0.934 48 48
LYS A 49 0.999 0.998 1.000 1.000 0.998 1.000 49 49
ALA A 50 1.000 0.996 50 50
PHE A 51 0.991 0.998 0.999 0.997 51 51
GLY A 52 0.999 0.998 52 52
ILE A 53 0.998 0.995 1.000 1.000 53 53
LYS A 54 0.992 0.988 0.557 0.998 1.000 0.998 54 54
LEU A 55 0.968 0.989 0.998 0.657 55 55
PRO A 56 1.000 0.998 1.000 1.000 56 56
LEU A 57 0.995 0.997 0.999 0.999 57 57
GLU A 58 0.999 0.998 0.935 1.000 1.000 58 58
LYS A 59 0.988 0.987 0.625 0.999 0.998 0.698 59 59
TRP A 60 0.995 0.993 0.999 0.982 60 60
THR A 61 0.978 0.983 0.649 61 61
GLN A 62 0.998 0.997 0.634 0.586 0.903 62 62
GLU A 63 0.998 0.996 0.879 0.779 0.916 63 63
VAL A 64 0.997 0.999 1.000 64 64
ASN A 65 0.999 0.999 1.000 1.000 65 65
ASP A 66 0.998 0.999 0.999 0.980 66 66
GLY A 67 0.998 0.997 67 67
LYS A 68 0.993 0.975 1.000 1.000 1.000 0.999 68 68
ALA A 69 0.963 0.994 69 69
THR A 70 0.996 0.998 0.999 70 70
THR A 71 0.997 0.999 0.999 71 71
GLU A 72 1.000 0.999 1.000 1.000 1.000 72 72
GLN A 73 0.992 0.987 0.869 0.395 0.789 73 73
TYR A 74 0.997 0.953 0.999 0.995 74 74
PHE A 75 0.960 0.994 0.999 0.994 75 75
VAL A 76 0.991 0.998 0.936 76 76
LEU A 77 0.993 0.990 0.644 0.491 77 77
LYS A 78 0.998 0.999 1.000 1.000 1.000 1.000 78 78
ASN A 79 0.999 0.999 1.000 0.999 79 79
LEU A 80 0.999 0.999 1.000 1.000 80 80
ALA A 81 0.999 0.999 81 81
ALA A 82 0.999 0.999 82 82
ARG A 83 0.999 0.999 0.931 0.599 0.926 0.670 1.000 83 83
ILE A 84 1.000 0.999 1.000 1.000 84 84
ASP A 85 0.999 0.999 0.747 0.828 85 85
GLU A 86 0.998 0.998 0.820 1.000 1.000 86 86
LEU A 87 1.000 0.998 1.000 1.000 87 87
VAL A 88 0.998 0.996 0.896 88 88
ALA A 89 0.999 0.999 89 89
ALA A 90 1.000 0.995 90 90
LYS A 91 0.992 0.990 0.588 0.227 0.931 0.924 91 91
GLY A 92 0.997 0.996 92 92
ALA A 93 0.994 0.999 93 93
LEU A 94 0.985 0.970 0.684 0.703 94 94
GLU A 95 0.798 0.367 0.580 0.932 0.998
HIS A 96 0.812 0.734 0.393 0.604
HIS A 97 0.461 0.484 0.499 0.735
HIS A 98 0.566 0.585 0.425 0.501
HIS A 99 0.870 0.660 0.549 0.653
HIS A 100 0.688 0.541 0.656 0.717
HIS A 101 0.715 0.752 0.752
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 `RPR324_R3_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. A[2..94],for model 1 is: 0.398
> Kabsch RMSD of backbone atoms in res. A[2..94],for model 2 is: 0.571
> Kabsch RMSD of backbone atoms in res. A[2..94],for model 3 is: 0.554
> Kabsch RMSD of backbone atoms in res. A[2..94],for model 4 is: 0.564
> Kabsch RMSD of backbone atoms in res. A[2..94],for model 5 is: 0.401
> Kabsch RMSD of backbone atoms in res. A[2..94],for model 6 is: 0.718
> Kabsch RMSD of backbone atoms in res. A[2..94],for model 7 is: 0.311 (*)
> Kabsch RMSD of backbone atoms in res. A[2..94],for model 8 is: 0.885
> Kabsch RMSD of backbone atoms in res. A[2..94],for model 9 is: 0.543
> Kabsch RMSD of backbone atoms in res. A[2..94],for model 10 is: 0.661
> Kabsch RMSD of backbone atoms in res. A[2..94],for model 11 is: 0.528
> Kabsch RMSD of backbone atoms in res. A[2..94],for model 12 is: 0.383
> Kabsch RMSD of backbone atoms in res. A[2..94],for model 13 is: 0.600
> Kabsch RMSD of backbone atoms in res. A[2..94],for model 14 is: 0.628
> Kabsch RMSD of backbone atoms in res. A[2..94],for model 15 is: 0.510
> Kabsch RMSD of backbone atoms in res. A[2..94],for model 16 is: 0.535
> Kabsch RMSD of backbone atoms in res. A[2..94],for model 17 is: 0.464
> Kabsch RMSD of backbone atoms in res. A[2..94],for model 18 is: 0.665
> Kabsch RMSD of backbone atoms in res. A[2..94],for model 19 is: 0.521
> Kabsch RMSD of backbone atoms in res. A[2..94],for model 20 is: 0.408
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[2..94], is: 0.542
> Range of RMSD values to reference struct. is 0.311 to 0.885
> Kabsch RMSD of heavy atoms in res. A[2..94],for model 1 is: 0.705
> Kabsch RMSD of heavy atoms in res. A[2..94],for model 2 is: 0.795
> Kabsch RMSD of heavy atoms in res. A[2..94],for model 3 is: 0.850
> Kabsch RMSD of heavy atoms in res. A[2..94],for model 4 is: 0.875
> Kabsch RMSD of heavy atoms in res. A[2..94],for model 5 is: 0.646 (*)
> Kabsch RMSD of heavy atoms in res. A[2..94],for model 6 is: 1.073
> Kabsch RMSD of heavy atoms in res. A[2..94],for model 7 is: 0.772
> Kabsch RMSD of heavy atoms in res. A[2..94],for model 8 is: 1.091
> Kabsch RMSD of heavy atoms in res. A[2..94],for model 9 is: 0.755
> Kabsch RMSD of heavy atoms in res. A[2..94],for model 10 is: 0.939
> Kabsch RMSD of heavy atoms in res. A[2..94],for model 11 is: 0.763
> Kabsch RMSD of heavy atoms in res. A[2..94],for model 12 is: 0.687
> Kabsch RMSD of heavy atoms in res. A[2..94],for model 13 is: 0.835
> Kabsch RMSD of heavy atoms in res. A[2..94],for model 14 is: 0.902
> Kabsch RMSD of heavy atoms in res. A[2..94],for model 15 is: 0.843
> Kabsch RMSD of heavy atoms in res. A[2..94],for model 16 is: 0.849
> Kabsch RMSD of heavy atoms in res. A[2..94],for model 17 is: 0.691
> Kabsch RMSD of heavy atoms in res. A[2..94],for model 18 is: 0.932
> Kabsch RMSD of heavy atoms in res. A[2..94],for model 19 is: 0.787
> Kabsch RMSD of heavy atoms in res. A[2..94],for model 20 is: 0.700
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[2..94], is: 0.825
> Range of RMSD values to reference struct. is 0.646 to 1.091
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..101],for model 1 is: 1.839
> Kabsch RMSD of backb atoms in res. *[1..101],for model 2 is: 1.675
> Kabsch RMSD of backb atoms in res. *[1..101],for model 3 is: 1.508
> Kabsch RMSD of backb atoms in res. *[1..101],for model 4 is: 3.068
> Kabsch RMSD of backb atoms in res. *[1..101],for model 5 is: 1.728
> Kabsch RMSD of backb atoms in res. *[1..101],for model 6 is: 2.132
> Kabsch RMSD of backb atoms in res. *[1..101],for model 7 is: 1.411 (*)
> Kabsch RMSD of backb atoms in res. *[1..101],for model 8 is: 2.837
> Kabsch RMSD of backb atoms in res. *[1..101],for model 9 is: 2.413
> Kabsch RMSD of backb atoms in res. *[1..101],for model 10 is: 1.642
> Kabsch RMSD of backb atoms in res. *[1..101],for model 11 is: 1.726
> Kabsch RMSD of backb atoms in res. *[1..101],for model 12 is: 1.572
> Kabsch RMSD of backb atoms in res. *[1..101],for model 13 is: 3.008
> Kabsch RMSD of backb atoms in res. *[1..101],for model 14 is: 2.572
> Kabsch RMSD of backb atoms in res. *[1..101],for model 15 is: 1.968
> Kabsch RMSD of backb atoms in res. *[1..101],for model 16 is: 1.644
> Kabsch RMSD of backb atoms in res. *[1..101],for model 17 is: 2.092
> Kabsch RMSD of backb atoms in res. *[1..101],for model 18 is: 1.852
> Kabsch RMSD of backb atoms in res. *[1..101],for model 19 is: 2.102
> Kabsch RMSD of backb atoms in res. *[1..101],for model 20 is: 1.532
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..101], is: 2.016
> Range of RMSD values to reference struct. is 1.411 to 3.068
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..101],for model 1 is: 2.258
> Kabsch RMSD of heavy atoms in res. *[1..101],for model 2 is: 2.159
> Kabsch RMSD of heavy atoms in res. *[1..101],for model 3 is: 2.030
> Kabsch RMSD of heavy atoms in res. *[1..101],for model 4 is: 3.660
> Kabsch RMSD of heavy atoms in res. *[1..101],for model 5 is: 2.165
> Kabsch RMSD of heavy atoms in res. *[1..101],for model 6 is: 2.743
> Kabsch RMSD of heavy atoms in res. *[1..101],for model 7 is: 2.010
> Kabsch RMSD of heavy atoms in res. *[1..101],for model 8 is: 3.289
> Kabsch RMSD of heavy atoms in res. *[1..101],for model 9 is: 2.944
> Kabsch RMSD of heavy atoms in res. *[1..101],for model 10 is: 2.020
> Kabsch RMSD of heavy atoms in res. *[1..101],for model 11 is: 2.293
> Kabsch RMSD of heavy atoms in res. *[1..101],for model 12 is: 1.893 (*)
> Kabsch RMSD of heavy atoms in res. *[1..101],for model 13 is: 3.497
> Kabsch RMSD of heavy atoms in res. *[1..101],for model 14 is: 3.280
> Kabsch RMSD of heavy atoms in res. *[1..101],for model 15 is: 2.478
> Kabsch RMSD of heavy atoms in res. *[1..101],for model 16 is: 2.066
> Kabsch RMSD of heavy atoms in res. *[1..101],for model 17 is: 2.648
> Kabsch RMSD of heavy atoms in res. *[1..101],for model 18 is: 2.305
> Kabsch RMSD of heavy atoms in res. *[1..101],for model 19 is: 2.601
> Kabsch RMSD of heavy atoms in res. *[1..101],for model 20 is: 1.975
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..101], is: 2.516
> Range of RMSD values to reference struct. is 1.893 to 3.660
Summary of heavy atom and backbone RMSDs over the whole protein and ordered residues
RMSD Values
all residues ordered residues selected residues
All backbone atoms 2.0 0.5 0.5
All heavy atoms 2.5 0.8 0.8
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 >>>----------+
| |
| RPR324_R3_em_bcr3_020.rin 0.0 1860 residues |
| |
| Ramachandran plot: 94.2% core 5.8% allow 0.0% gener 0.0% disall |
| |
+| All Ramachandrans: 15 labelled residues (out of1860) |
| Chi1-chi2 plots: 0 labelled residues (out of1140) |
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
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
Procheck G-factors for phi-psi for each residue
JPEG image for residue phi-psi G-factors
Table of Procheck G-factors for phi-psi for ordered residues
#phipsi_gfactor
#Residue\Model average
2 -0.60
3 -0.44
4 0.62
5 1.13
6 0.95
7 0.99
8 0.94
9 0.92
10 1.06
11 0.83
12 0.81
13 0.59
14 -0.22
15 0.26
16 -1.09
17 -0.74
18 0.19
19 0.01
20 0.14
21 0.41
22 -0.20
23 -1.33
24 0.13
25 0.38
26 -0.14
27 -0.58
28 -0.42
29 0.49
30 -1.66
31 1.07
32 -1.92
33 -0.35
34 0.69
35 -0.19
36 -0.52
37 0.77
38 -0.56
39 1.03
40 0.49
41 1.07
42 1.30
43 1.00
44 0.94
45 1.11
46 0.97
47 1.01
48 0.81
49 0.25
50 0.85
51 -1.05
52 -0.08
53 -1.21
54 -1.61
55 -1.02
56 -2.03
57 0.92
58 0.54
59 0.83
60 0.96
61 0.82
62 1.08
63 0.71
64 0.42
65 0.98
66 0.15
67 0.77
68 -0.63
69 -1.03
70 -0.56
71 0.14
72 0.50
73 0.04
74 -2.73
75 -0.73
76 -0.47
77 0.08
78 0.94
79 1.07
80 0.11
81 0.78
82 0.78
83 1.03
84 1.01
85 1.19
86 0.97
87 0.92
88 0.79
89 0.93
90 0.88
91 0.80
92 0.93
93 0.65
94 0.47
#Reported_Model_Average 0.250
#Overall_Average_Reported 0.250
Procheck G-factors for all dihedral angles for each residue
JPEG image for residue all dihedral G-factors
Table of Procheck G-factors for all dihedrals for ordered residues
#alldih_gfactor
#Residue\Model average
2 -0.04
3 -0.11
4 0.68
5 0.82
6 0.96
7 0.95
8 0.88
9 0.92
10 0.74
11 0.86
12 0.83
13 0.59
14 0.51
15 0.43
16 -0.25
17 -0.19
18 0.33
19 0.01
20 0.32
21 0.83
22 -0.08
23 -0.22
24 0.28
25 0.38
26 0.56
27 -0.13
28 -0.24
29 0.49
30 -0.40
31 1.10
32 -0.55
33 0.00
34 0.69
35 0.33
36 -0.32
37 0.76
38 0.16
39 1.07
40 0.24
41 0.78
42 1.22
43 0.95
44 0.94
45 0.12
46 0.97
47 0.95
48 0.86
49 0.77
50 0.85
51 -0.09
52 -0.08
53 -0.55
54 -0.28
55 -0.62
56 -2.03
57 0.70
58 0.67
59 0.90
60 0.41
61 0.72
62 0.83
63 0.89
64 0.51
65 1.06
66 0.60
67 0.77
68 0.28
69 -1.03
70 -0.05
71 0.27
72 0.88
73 0.46
74 -1.12
75 -0.12
76 0.08
77 0.21
78 0.88
79 1.10
80 0.26
81 0.78
82 0.78
83 0.94
84 0.95
85 0.54
86 1.04
87 0.90
88 0.63
89 0.93
90 0.88
91 0.55
92 0.93
93 0.65
94 0.64
#Reported_Model_Average 0.433
#Overall_Average_Reported 0.433
Output from Verify3D
Verify3D Score over a window of $winsize_s residues
JPEG image for Verify3D Score
Table of Verify3D scores for ordered residues across all models
#verify3d
#Residue\Model 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
2 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.55
3 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.34 0.34 0.34 0.34 0.17 0.34 0.17 0.17
4 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39
5 0.87 0.87 -0.22 -0.22 0.87 0.87 0.87 -0.22 0.87 0.87 -0.22 -0.22 -0.22 -0.22 -0.22 0.87 -0.22 0.87 0.87 0.87
6 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29
7 1.10 1.10 0.56 0.56 1.10 -0.51 1.10 1.10 0.56 1.10 1.10 0.56 -0.11 1.10 1.10 1.10 1.10 1.10 1.10 1.10
8 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74
9 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
10 -0.20 -0.13 -0.20 -0.20 -0.13 -0.13 -0.20 -0.20 -0.13 -0.13 -0.13 -0.20 -0.13 -0.20 -0.13 -0.13 -0.13 -0.20 -0.20 -0.13
11 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
12 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
13 0.76 -0.02 0.76 0.76 0.76 -0.02 -0.02 -0.02 -0.02 0.76 -0.02 0.76 0.76 0.76 -0.02 0.76 -0.02 -0.02 0.76 -0.02
14 0.60 0.60 0.60 0.60 0.60 0.62 0.60 0.62 0.62 0.60 0.62 0.60 0.60 0.60 0.62 0.62 0.62 0.60 0.60 0.60
15 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 -0.13 0.39 0.39 -0.13 0.39 -0.13 0.39 0.39 -0.13 0.39 0.39
16 -0.35 1.29 -0.35 -0.35 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 -0.35 1.29 -0.35 1.29 1.29
17 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23
18 0.81 -0.54 0.81 0.81 0.81 -0.54 -0.54 0.81 0.81 0.81 0.81 -0.54 -0.54 -0.54 -0.54 0.81 0.81 -0.54 0.81 -0.54
19 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.25 0.44 0.44 0.25 0.44 0.44 0.44 0.44 0.44 0.44 0.44
20 -0.41 0.24 -0.41 -0.41 0.24 0.24 -0.41 -0.41 0.24 0.24 0.24 -0.41 0.24 -0.41 0.24 0.24 0.24 0.24 0.24 0.24
21 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04
22 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
23 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
24 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
25 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64
26 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04
27 0.59 0.17 0.59 0.59 0.17 0.59 0.59 0.59 0.17 0.17 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.17 0.17 0.17
28 1.04 1.04 1.04 0.54 1.04 1.04 1.04 1.04 1.04 1.04 1.04 0.54 0.54 0.54 1.04 1.04 1.04 1.04 1.04 1.04
29 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
30 -0.94 -0.54 -0.94 -0.94 -0.94 -0.28 -0.94 -0.94 -0.28 -0.28 -0.94 -0.94 -0.94 -0.28 -0.28 -0.94 -0.28 -0.54 -0.94 -0.28
31 0.23 0.51 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.51
32 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.23 0.51 0.51 0.51
33 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77 1.06 1.06 1.06 1.06 1.06 1.06
34 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
35 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
36 0.23 0.51 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.51 0.51 0.23 0.23 0.23 0.23 0.23 0.23 0.51 0.23 0.23
37 0.34 0.34 0.34 0.34 0.34 0.59 0.34 0.34 0.34 0.59 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.59 0.59 0.34
38 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14
39 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29
40 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28
41 -0.30 -0.30 -0.30 -0.30 -0.30 1.30 -0.46 -0.30 -0.30 0.71 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 0.71 -0.30 0.71 -0.30
42 0.29 0.29 0.29 0.29 0.29 0.29 0.44 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.44 0.29 0.29
43 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
44 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
45 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35
46 0.44 0.44 -0.02 0.76 0.44 0.44 0.76 0.76 0.76 0.44 0.76 0.44 0.44 0.44 0.76 -0.02 0.76 0.44 0.44 0.76
47 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
48 -0.28 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 -0.28 0.29 0.29
49 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07
50 0.76 0.76 0.44 0.44 0.76 0.76 0.44 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
51 1.28 0.87 1.28 1.28 0.87 0.87 1.28 0.87 0.87 0.87 0.87 0.87 1.28 1.28 0.87 0.87 0.87 0.87 0.87 1.28
52 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
53 0.93 0.93 0.93 0.81 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.81 0.93 0.93 0.93 0.93 0.93 0.81 0.81 0.93
54 0.47 -0.10 -0.10 -0.10 -0.10 0.47 0.47 0.47 -0.10 0.47 0.47 -0.10 -0.10 0.47 0.47 0.47 0.47 -0.10 -0.10 0.47
55 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
56 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64
57 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
58 0.60 0.60 0.62 0.60 0.60 0.62 0.62 0.60 0.60 0.62 0.62 0.62 0.62 0.60 0.60 0.60 0.62 0.62 0.62 0.60
59 0.66 0.07 0.07 0.66 0.07 0.66 0.66 0.66 0.66 0.07 0.66 0.66 0.66 0.07 0.66 0.66 0.66 0.66 0.07 0.66
60 1.11 1.11 1.11 1.11 1.11 1.01 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
61 0.39 0.39 -0.13 -0.13 0.39 0.39 0.39 -0.13 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 -0.13 0.39 0.39
62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
63 0.09 -0.43 -0.43 -0.58 -0.43 0.62 -0.43 0.09 0.09 -0.58 0.62 0.09 0.09 -0.58 0.62 0.62 0.62 -0.58 -0.43 0.62
64 0.30 0.30 0.30 0.30 0.30 0.41 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30
65 -0.02 -0.02 0.32 -0.02 -0.02 0.32 0.32 -0.02 -0.02 -0.02 0.32 0.32 0.32 -0.02 0.32 0.32 0.32 0.32 -0.02 0.32
66 0.51 0.51 0.51 0.51 0.51 0.23 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
67 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
68 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
69 -0.25 0.49 -0.25 -0.25 0.49 0.49 -0.25 -0.25 -0.25 0.49 -0.25 -0.25 -0.25 -0.25 0.49 0.49 -0.25 0.49 -0.25 0.49
70 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
71 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
72 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
73 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
74 1.25 1.25 1.14 1.25 1.14 1.14 1.14 1.25 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.25 1.14 1.14 1.14
75 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40
76 -0.09 -0.74 -0.09 -0.09 -0.74 -0.09 -0.09 -0.09 -0.74 -0.74 -0.09 -0.09 -0.09 -0.09 -0.09 -0.74 -0.09 -0.74 -0.74 -0.09
77 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
78 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66
79 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.58 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02
80 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
81 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
82 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
83 1.10 0.56 0.56 0.56 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 0.56 1.10 1.10 1.10 1.10 1.10 1.10
84 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
85 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29
86 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
87 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 0.16 -0.30 -0.30 -0.30 -0.30 -0.30 0.16 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30
88 -0.62 0.30 0.30 0.30 -0.62 0.30 0.30 -0.62 0.30 0.30 -0.62 0.30 -0.62 0.41 0.30 -0.62 -0.62 0.30 0.30 0.30
89 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
90 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
91 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.56 0.66 0.66 0.66 0.66 0.66 0.66
92 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63
93 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
94 -0.46 -1.37 -1.37 -0.46 -1.37 -0.46 -1.37 0.16 -0.46 -1.37 -1.37 -1.37 -0.46 -1.37 -1.37 -1.37 -0.46 -1.37 -1.37 -0.46
#Reported_Model_Average 0.469 0.456 0.423 0.436 0.464 0.507 0.467 0.478 0.484 0.494 0.481 0.446 0.447 0.446 0.485 0.475 0.504 0.436 0.477 0.518
#Overall_Average_Reported 0.470
Output from ProsaII
ProsaII Score over a window of $winsize_s residues
JPEG image for ProsaII Score
Table of Verify3D scores for ordered residues across all models
#verify3d
#Residue\Model 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
2 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.55
3 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.34 0.34 0.34 0.34 0.17 0.34 0.17 0.17
4 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39
5 0.87 0.87 -0.22 -0.22 0.87 0.87 0.87 -0.22 0.87 0.87 -0.22 -0.22 -0.22 -0.22 -0.22 0.87 -0.22 0.87 0.87 0.87
6 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29
7 1.10 1.10 0.56 0.56 1.10 -0.51 1.10 1.10 0.56 1.10 1.10 0.56 -0.11 1.10 1.10 1.10 1.10 1.10 1.10 1.10
8 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74
9 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
10 -0.20 -0.13 -0.20 -0.20 -0.13 -0.13 -0.20 -0.20 -0.13 -0.13 -0.13 -0.20 -0.13 -0.20 -0.13 -0.13 -0.13 -0.20 -0.20 -0.13
11 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
12 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
13 0.76 -0.02 0.76 0.76 0.76 -0.02 -0.02 -0.02 -0.02 0.76 -0.02 0.76 0.76 0.76 -0.02 0.76 -0.02 -0.02 0.76 -0.02
14 0.60 0.60 0.60 0.60 0.60 0.62 0.60 0.62 0.62 0.60 0.62 0.60 0.60 0.60 0.62 0.62 0.62 0.60 0.60 0.60
15 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 -0.13 0.39 0.39 -0.13 0.39 -0.13 0.39 0.39 -0.13 0.39 0.39
16 -0.35 1.29 -0.35 -0.35 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 -0.35 1.29 -0.35 1.29 1.29
17 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23
18 0.81 -0.54 0.81 0.81 0.81 -0.54 -0.54 0.81 0.81 0.81 0.81 -0.54 -0.54 -0.54 -0.54 0.81 0.81 -0.54 0.81 -0.54
19 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.25 0.44 0.44 0.25 0.44 0.44 0.44 0.44 0.44 0.44 0.44
20 -0.41 0.24 -0.41 -0.41 0.24 0.24 -0.41 -0.41 0.24 0.24 0.24 -0.41 0.24 -0.41 0.24 0.24 0.24 0.24 0.24 0.24
21 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04
22 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
23 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
24 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
25 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64
26 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04
27 0.59 0.17 0.59 0.59 0.17 0.59 0.59 0.59 0.17 0.17 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.17 0.17 0.17
28 1.04 1.04 1.04 0.54 1.04 1.04 1.04 1.04 1.04 1.04 1.04 0.54 0.54 0.54 1.04 1.04 1.04 1.04 1.04 1.04
29 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
30 -0.94 -0.54 -0.94 -0.94 -0.94 -0.28 -0.94 -0.94 -0.28 -0.28 -0.94 -0.94 -0.94 -0.28 -0.28 -0.94 -0.28 -0.54 -0.94 -0.28
31 0.23 0.51 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.51
32 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.23 0.51 0.51 0.51
33 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77 1.06 1.06 1.06 1.06 1.06 1.06
34 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
35 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
36 0.23 0.51 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.51 0.51 0.23 0.23 0.23 0.23 0.23 0.23 0.51 0.23 0.23
37 0.34 0.34 0.34 0.34 0.34 0.59 0.34 0.34 0.34 0.59 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.59 0.59 0.34
38 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14
39 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29
40 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28
41 -0.30 -0.30 -0.30 -0.30 -0.30 1.30 -0.46 -0.30 -0.30 0.71 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 0.71 -0.30 0.71 -0.30
42 0.29 0.29 0.29 0.29 0.29 0.29 0.44 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.44 0.29 0.29
43 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
44 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
45 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35
46 0.44 0.44 -0.02 0.76 0.44 0.44 0.76 0.76 0.76 0.44 0.76 0.44 0.44 0.44 0.76 -0.02 0.76 0.44 0.44 0.76
47 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
48 -0.28 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 -0.28 0.29 0.29
49 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07
50 0.76 0.76 0.44 0.44 0.76 0.76 0.44 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
51 1.28 0.87 1.28 1.28 0.87 0.87 1.28 0.87 0.87 0.87 0.87 0.87 1.28 1.28 0.87 0.87 0.87 0.87 0.87 1.28
52 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
53 0.93 0.93 0.93 0.81 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.81 0.93 0.93 0.93 0.93 0.93 0.81 0.81 0.93
54 0.47 -0.10 -0.10 -0.10 -0.10 0.47 0.47 0.47 -0.10 0.47 0.47 -0.10 -0.10 0.47 0.47 0.47 0.47 -0.10 -0.10 0.47
55 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
56 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64
57 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
58 0.60 0.60 0.62 0.60 0.60 0.62 0.62 0.60 0.60 0.62 0.62 0.62 0.62 0.60 0.60 0.60 0.62 0.62 0.62 0.60
59 0.66 0.07 0.07 0.66 0.07 0.66 0.66 0.66 0.66 0.07 0.66 0.66 0.66 0.07 0.66 0.66 0.66 0.66 0.07 0.66
60 1.11 1.11 1.11 1.11 1.11 1.01 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
61 0.39 0.39 -0.13 -0.13 0.39 0.39 0.39 -0.13 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 -0.13 0.39 0.39
62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
63 0.09 -0.43 -0.43 -0.58 -0.43 0.62 -0.43 0.09 0.09 -0.58 0.62 0.09 0.09 -0.58 0.62 0.62 0.62 -0.58 -0.43 0.62
64 0.30 0.30 0.30 0.30 0.30 0.41 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30
65 -0.02 -0.02 0.32 -0.02 -0.02 0.32 0.32 -0.02 -0.02 -0.02 0.32 0.32 0.32 -0.02 0.32 0.32 0.32 0.32 -0.02 0.32
66 0.51 0.51 0.51 0.51 0.51 0.23 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
67 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
68 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
69 -0.25 0.49 -0.25 -0.25 0.49 0.49 -0.25 -0.25 -0.25 0.49 -0.25 -0.25 -0.25 -0.25 0.49 0.49 -0.25 0.49 -0.25 0.49
70 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
71 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
72 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
73 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
74 1.25 1.25 1.14 1.25 1.14 1.14 1.14 1.25 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.25 1.14 1.14 1.14
75 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40
76 -0.09 -0.74 -0.09 -0.09 -0.74 -0.09 -0.09 -0.09 -0.74 -0.74 -0.09 -0.09 -0.09 -0.09 -0.09 -0.74 -0.09 -0.74 -0.74 -0.09
77 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
78 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66
79 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.58 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02
80 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
81 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
82 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
83 1.10 0.56 0.56 0.56 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 0.56 1.10 1.10 1.10 1.10 1.10 1.10
84 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
85 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29
86 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
87 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 0.16 -0.30 -0.30 -0.30 -0.30 -0.30 0.16 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30
88 -0.62 0.30 0.30 0.30 -0.62 0.30 0.30 -0.62 0.30 0.30 -0.62 0.30 -0.62 0.41 0.30 -0.62 -0.62 0.30 0.30 0.30
89 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
90 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
91 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.56 0.66 0.66 0.66 0.66 0.66 0.66
92 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63
93 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
94 -0.46 -1.37 -1.37 -0.46 -1.37 -0.46 -1.37 0.16 -0.46 -1.37 -1.37 -1.37 -0.46 -1.37 -1.37 -1.37 -0.46 -1.37 -1.37 -0.46
#Reported_Model_Average 0.469 0.456 0.423 0.436 0.464 0.507 0.467 0.478 0.484 0.494 0.481 0.446 0.447 0.446 0.485 0.475 0.504 0.436 0.477 0.518
#Overall_Average_Reported 0.470
Output from MolProbity
VdW violations from MAGE
JPEG image for MAGE VdW violation
Table of MAGE VdW violations for ordered residues across all models
#mage_clash
#Residue\Model 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
2.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
3.000 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
4.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
5.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
6.000 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
7.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
8.000 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0
9.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
10.000 0 0 0 0 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0
11.000 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0
12.000 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0
13.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
14.000 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 1 0 0 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0
17.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
18.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
19.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
20.000 0 0 0 0 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0
21.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
22.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
23.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
24.000 0 0 0 1 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0
25.000 0 0 0 1 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0
26.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
27.000 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0
28.000 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 0
29.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
30.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
31.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0
35.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0
38.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
39.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
40.000 0 1 0 0 1 1 0 0 1 2 1 1 0 1 1 0 1 0 0 1
41.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0
42.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
43.000 0 3 0 0 3 2 0 0 2 3 1 1 0 1 1 0 2 0 0 1
44.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
45.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
46.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
47.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
52.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
53.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
54.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
55.000 0 0 0 0 0 0 2 2 0 0 2 0 0 4 2 2 2 0 0 2
56.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
57.000 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 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 0 0 0 0 0 0 0 0
60.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
61.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
62.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
63.000 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
67.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
68.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
69.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
70.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
71.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
72.000 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0
73.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
74.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
75.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
76.000 0 0 0 1 0 0 1 0 1 0 0 0 0 0 1 0 0 1 0 0
77.000 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0
78.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
79.000 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0
80.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
81.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
82.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
83.000 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0
84.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0
85.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
86.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
87.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
88.000 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
89.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
90.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
91.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
92.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
93.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
94.000 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0
#Reported_Model_Average 0.022 0.065 0.022 0.043 0.086 0.065 0.065 0.097 0.086 0.086 0.065 0.022 0.043 0.086 0.086 0.043 0.065 0.022 0.043 0.043
#Overall_Average_Reported 0.058
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1568:A 51 PHE 2HB :A 88 VAL 2HG2 : -0.401: 0
#sum2 ::0.64 clashscore : 0.64 clashscore B<40
#summary::1568 atoms:1568 atoms B<40:177994 potential dots:11120.0 A^2:1 bumps:1 bumps B<40:657.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1568:A 16 CYS SG :A 43 ILE 1HD1 : -0.434: 0
: 1568:A 12 ILE 1HG1 :A 43 ILE 3HD1 : -0.416: 0
: 1568:A 43 ILE 2HD1 :A 40 PHE HA : -0.409: 0
#sum2 ::1.91 clashscore : 1.91 clashscore B<40
#summary::1568 atoms:1568 atoms B<40:178083 potential dots:11130.0 A^2:3 bumps:3 bumps B<40:637.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1568:A 2 THR 2HG2 :A 7 ARG 2HG : -0.412: 0
#sum2 ::0.64 clashscore : 0.64 clashscore B<40
#summary::1568 atoms:1568 atoms B<40:178037 potential dots:11130.0 A^2:1 bumps:1 bumps B<40:661.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1568:A 76 VAL HA :A 28 HIS HA : -0.417: 0
: 1568:A 25 PRO 1HD :A 24 THR HB : -0.410: 0
#sum2 ::1.28 clashscore : 1.28 clashscore B<40
#summary::1568 atoms:1568 atoms B<40:178022 potential dots:11130.0 A^2:2 bumps:2 bumps B<40:663.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1568:A 12 ILE 1HG1 :A 43 ILE 3HD1 : -0.430: 0
: 1568:A 43 ILE 1HD1 :A 16 CYS SG : -0.408: 0
: 1568:A 43 ILE 2HD1 :A 40 PHE HA : -0.404: 0
: 1568:A 3 SER H :A 6 ASP 2HB : -0.425: 0
#sum2 ::2.55 clashscore : 2.55 clashscore B<40
#summary::1568 atoms:1568 atoms B<40:178067 potential dots:11130.0 A^2:4 bumps:4 bumps B<40:670.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1568:A 12 ILE 1HG1 :A 43 ILE 3HD1 : -0.481: 0
: 1568:A 43 ILE 2HD1 :A 40 PHE HA : -0.428: 0
: 1568:A 10 THR HA :A 20 ARG 2HD : -0.407: 0
#sum2 ::1.91 clashscore : 1.91 clashscore B<40
#summary::1568 atoms:1568 atoms B<40:178178 potential dots:11140.0 A^2:3 bumps:3 bumps B<40:642.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1568:A 55 LEU 3HD2 :A 55 LEU C : -0.493: 0
: 1568:A 27 SER 2HB :A 77 LEU 2HD2 : -0.427: 0
: 1568:A 76 VAL 3HG2 :A 72 GLU HA : -0.411: 0
#sum2 ::1.91 clashscore : 1.91 clashscore B<40
#summary::1568 atoms:1568 atoms B<40:178155 potential dots:11130.0 A^2:3 bumps:3 bumps B<40:690.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1568:A 98 HIS 1HB :A 94 LEU HA : -0.489: 0
: 1568:A 55 LEU 3HD2 :A 55 LEU C : -0.451: 0
: 1568:A 83 ARG 1HG :A 79 ASN O : -0.437: 0
: 1568:A 27 SER 2HB :A 77 LEU 2HD1 : -0.418: 0
: 1568:A 8 VAL HA :A 11 ILE 2HD1 : -0.402: 0
#sum2 ::3.19 clashscore : 3.19 clashscore B<40
#summary::1568 atoms:1568 atoms B<40:178148 potential dots:11130.0 A^2:5 bumps:5 bumps B<40:697.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1568:A 76 VAL HA :A 28 HIS HA : -0.450: 0
: 1568:A 12 ILE 1HG1 :A 43 ILE 3HD1 : -0.435: 0
: 1568:A 43 ILE 2HD1 :A 40 PHE HA : -0.417: 0
: 1568:A 10 THR HA :A 20 ARG 2HD : -0.411: 0
#sum2 ::2.55 clashscore : 2.55 clashscore B<40
#summary::1568 atoms:1568 atoms B<40:178184 potential dots:11140.0 A^2:4 bumps:4 bumps B<40:692.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1568:A 12 ILE 1HG1 :A 43 ILE 3HD1 : -0.461: 0
: 1568:A 43 ILE 2HD1 :A 40 PHE HA : -0.447: 0
: 1568:A 16 CYS SG :A 43 ILE 1HD1 : -0.441: 0
: 1568:A 40 PHE CD2 :A 57 LEU 1HD2 : -0.432: 0
#sum2 ::2.55 clashscore : 2.55 clashscore B<40
#summary::1568 atoms:1568 atoms B<40:178168 potential dots:11140.0 A^2:4 bumps:4 bumps B<40:691.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1568:A 55 LEU 3HD2 :A 55 LEU C : -0.469: 0
: 1568:A 43 ILE 2HD1 :A 40 PHE HA : -0.420: 0
: 1568:A 10 THR HA :A 20 ARG 2HD : -0.403: 0
#sum2 ::1.91 clashscore : 1.91 clashscore B<40
#summary::1568 atoms:1568 atoms B<40:178101 potential dots:11130.0 A^2:3 bumps:3 bumps B<40:679.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1568:A 43 ILE 2HD1 :A 40 PHE HA : -0.442: 0
#sum2 ::0.64 clashscore : 0.64 clashscore B<40
#summary::1568 atoms:1568 atoms B<40:178152 potential dots:11130.0 A^2:1 bumps:1 bumps B<40:698.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1568:A 25 PRO 1HD :A 24 THR HB : -0.486: 0
: 1568:A 12 ILE O :A 16 CYS SG : -0.404: 0
#sum2 ::1.28 clashscore : 1.28 clashscore B<40
#summary::1568 atoms:1568 atoms B<40:177983 potential dots:11120.0 A^2:2 bumps:2 bumps B<40:694.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1568:A 55 LEU 3HD2 :A 55 LEU C : -0.568: 0
: 1568:A 55 LEU C :A 55 LEU CD2 : -0.419: 0
: 1568:A 25 PRO 1HD :A 24 THR HB : -0.488: 0
: 1568:A 43 ILE 2HD1 :A 40 PHE HA : -0.410: 0
#sum2 ::2.55 clashscore : 2.55 clashscore B<40
#summary::1568 atoms:1568 atoms B<40:178111 potential dots:11130.0 A^2:4 bumps:4 bumps B<40:697.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1568:A 55 LEU 3HD2 :A 55 LEU C : -0.510: 0
: 1568:A 25 PRO 1HD :A 24 THR HB : -0.450: 0
: 1568:A 43 ILE 2HD1 :A 40 PHE HA : -0.435: 0
: 1568:A 76 VAL 3HG2 :A 72 GLU HA : -0.418: 0
#sum2 ::2.55 clashscore : 2.55 clashscore B<40
#summary::1568 atoms:1568 atoms B<40:178019 potential dots:11130.0 A^2:4 bumps:4 bumps B<40:681.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1568:A 55 LEU 3HD2 :A 55 LEU C : -0.489: 0
: 1568:A 84 ILE 1HD1 :A 47 ILE 3HD1 : -0.401: 0
#sum2 ::1.28 clashscore : 1.28 clashscore B<40
#summary::1568 atoms:1568 atoms B<40:178137 potential dots:11130.0 A^2:2 bumps:2 bumps B<40:692.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1568:A 55 LEU 3HD2 :A 55 LEU C : -0.516: 0
: 1568:A 12 ILE 1HG1 :A 43 ILE 3HD1 : -0.449: 0
: 1568:A 43 ILE 2HD1 :A 40 PHE HA : -0.447: 0
#sum2 ::1.91 clashscore : 1.91 clashscore B<40
#summary::1568 atoms:1568 atoms B<40:178023 potential dots:11130.0 A^2:3 bumps:3 bumps B<40:691.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1568:A 76 VAL HA :A 28 HIS HA : -0.452: 0
#sum2 ::0.64 clashscore : 0.64 clashscore B<40
#summary::1568 atoms:1568 atoms B<40:178165 potential dots:11140.0 A^2:1 bumps:1 bumps B<40:681.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1568:A 28 HIS 2HB :A 31 ASP 1HB : -0.419: 0
: 1568:A 57 LEU 3HD2 :A 41 LEU HA : -0.402: 0
#sum2 ::1.28 clashscore : 1.28 clashscore B<40
#summary::1568 atoms:1568 atoms B<40:178099 potential dots:11130.0 A^2:2 bumps:2 bumps B<40:674.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1568:A 55 LEU 3HD2 :A 55 LEU C : -0.519: 0
: 1568:A 43 ILE 2HD1 :A 40 PHE HA : -0.417: 0
#sum2 ::1.28 clashscore : 1.28 clashscore B<40
#summary::1568 atoms:1568 atoms B<40:177918 potential dots:11120.0 A^2:2 bumps:2 bumps B<40:689.4 score
Output from PDB validation software
Summary from PDB validation
May. 10, 16:06:34 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 0.016 Angstroms
All covalent bonds lie within a 6.0*RMSD range about the
standard dictionary values.
*** Covalent Angle Values:
The RMS deviation for covalent angles relative to the standard
dictionary is 1.0 degrees.
The following table contains a list of the covalent bond angles
greater than 6.0*RMSD.
Deviation Residue Chain Sequence Model AT1 - AT2 - AT3 Bond Dictionary
Name ID Number Angle Value
--------------------------------------------------------------------------------
-8.1 CYS A 16 1 N - CA - CB 102.4 110.5
-7.9 CYS A 16 2 N - CA - CB 102.6 110.5
-8.1 CYS A 16 3 N - CA - CB 102.4 110.5
-8.0 CYS A 16 4 N - CA - CB 102.5 110.5
-7.9 CYS A 16 5 N - CA - CB 102.6 110.5
-8.0 CYS A 16 6 N - CA - CB 102.5 110.5
-8.4 CYS A 16 7 N - CA - CB 102.1 110.5
-8.0 CYS A 16 8 N - CA - CB 102.5 110.5
-8.2 CYS A 16 9 N - CA - CB 102.3 110.5
-8.5 CYS A 16 10 N - CA - CB 102.0 110.5
-8.2 CYS A 16 11 N - CA - CB 102.3 110.5
-8.1 CYS A 16 12 N - CA - CB 102.4 110.5
-8.0 CYS A 16 13 N - CA - CB 102.5 110.5
-8.0 CYS A 16 14 N - CA - CB 102.5 110.5
-8.1 CYS A 16 15 N - CA - CB 102.4 110.5
-8.1 CYS A 16 16 N - CA - CB 102.4 110.5
-8.4 CYS A 16 17 N - CA - CB 102.1 110.5
-7.9 CYS A 16 18 N - CA - CB 102.6 110.5
-8.1 CYS A 16 19 N - CA - CB 102.4 110.5
-8.3 CYS A 16 20 N - CA - CB 102.2 110.5
TORSION ANGLES
The torsion angle distributions have been checked. The postscript file of the
conformation rings showing the torsion angle distributions will be sent in a
separate E-mail message.
CHIRALITY
The chirality has been checked. O1P, O2P, and hydrogen atoms which do not
follow the convention defined in the IUBMB (Liebecq, C. Compendium of
Biochemical Nomenclature and Related Documents, 2nd ed.; Portland Press:
London and Chapel Hill, 1992) and IUPAC nomenclature (J.L. Markley, A. Bax,
Y. Arata, C.W. Hilbers, R. Kaptein, B.D. Sykes, P.E. Wright and K. Wüthrich,
Recommendations for the Presentation of NMR Structures of Proteins and
Nucleic Acids, Pure & Appl. Chem., Vol. 70, pp. 117-142, 1998) have been
standardized. Any other stereochemical violations are listed below.
E/Z NOMENCLATURE
E/Z nomenclature of hydrogens and/or nitrogens on Arg, Asn or Gln residues needs
to be corrected to conform with the standard for E/Z orientation presented in
[J.L. Markley, et al., Recommendations for the Presentation of NMR Structures of
Proteins and Nucleic Acids, Pure & Appl. Chem., 1998, 70, 117-142].
Model Chain Residue Residue Atom Name Original
Name Number Atom Name
----- ----- ------- ------- -------- ---------
1 A GLN 62 1HE2
1 A GLN 62 2HE2
1 A ASN 65 1HD2
1 A ASN 65 2HD2
1 A GLN 73 1HE2
1 A GLN 73 2HE2
1 A ASN 79 1HD2
1 A ASN 79 2HD2
2 A GLN 62 1HE2
2 A GLN 62 2HE2
2 A ASN 65 1HD2
2 A ASN 65 2HD2
2 A GLN 73 1HE2
2 A GLN 73 2HE2
2 A ASN 79 1HD2
2 A ASN 79 2HD2
3 A GLN 62 1HE2
3 A GLN 62 2HE2
3 A ASN 65 1HD2
3 A ASN 65 2HD2
3 A GLN 73 1HE2
3 A GLN 73 2HE2
3 A ASN 79 1HD2
3 A ASN 79 2HD2
4 A GLN 62 1HE2
4 A GLN 62 2HE2
4 A ASN 65 1HD2
4 A ASN 65 2HD2
4 A GLN 73 1HE2
4 A GLN 73 2HE2
4 A ASN 79 1HD2
4 A ASN 79 2HD2
5 A GLN 62 1HE2
5 A GLN 62 2HE2
5 A ASN 65 1HD2
5 A ASN 65 2HD2
5 A GLN 73 1HE2
5 A GLN 73 2HE2
5 A ASN 79 1HD2
5 A ASN 79 2HD2
6 A GLN 62 1HE2
6 A GLN 62 2HE2
6 A ASN 65 1HD2
6 A ASN 65 2HD2
6 A GLN 73 1HE2
6 A GLN 73 2HE2
6 A ASN 79 1HD2
6 A ASN 79 2HD2
7 A GLN 62 1HE2
7 A GLN 62 2HE2
7 A ASN 65 1HD2
7 A ASN 65 2HD2
7 A GLN 73 1HE2
7 A GLN 73 2HE2
7 A ASN 79 1HD2
7 A ASN 79 2HD2
8 A GLN 62 1HE2
8 A GLN 62 2HE2
8 A ASN 65 1HD2
8 A ASN 65 2HD2
8 A GLN 73 1HE2
8 A GLN 73 2HE2
8 A ASN 79 1HD2
8 A ASN 79 2HD2
9 A GLN 62 1HE2
9 A GLN 62 2HE2
9 A ASN 65 1HD2
9 A ASN 65 2HD2
9 A GLN 73 1HE2
9 A GLN 73 2HE2
9 A ASN 79 1HD2
9 A ASN 79 2HD2
10 A GLN 62 1HE2
10 A GLN 62 2HE2
10 A ASN 65 1HD2
10 A ASN 65 2HD2
10 A GLN 73 1HE2
10 A GLN 73 2HE2
10 A ASN 79 1HD2
10 A ASN 79 2HD2
11 A GLN 62 1HE2
11 A GLN 62 2HE2
11 A ASN 65 1HD2
11 A ASN 65 2HD2
11 A GLN 73 1HE2
11 A GLN 73 2HE2
11 A ASN 79 1HD2
11 A ASN 79 2HD2
12 A GLN 62 1HE2
12 A GLN 62 2HE2
12 A ASN 65 1HD2
12 A ASN 65 2HD2
12 A GLN 73 1HE2
12 A GLN 73 2HE2
12 A ASN 79 1HD2
12 A ASN 79 2HD2
13 A GLN 62 1HE2
13 A GLN 62 2HE2
13 A ASN 65 1HD2
13 A ASN 65 2HD2
13 A GLN 73 1HE2
13 A GLN 73 2HE2
13 A ASN 79 1HD2
13 A ASN 79 2HD2
14 A GLN 62 1HE2
14 A GLN 62 2HE2
14 A ASN 65 1HD2
14 A ASN 65 2HD2
14 A GLN 73 1HE2
14 A GLN 73 2HE2
14 A ASN 79 1HD2
14 A ASN 79 2HD2
15 A GLN 62 1HE2
15 A GLN 62 2HE2
15 A ASN 65 1HD2
15 A ASN 65 2HD2
15 A GLN 73 1HE2
15 A GLN 73 2HE2
15 A ASN 79 1HD2
15 A ASN 79 2HD2
16 A GLN 62 1HE2
16 A GLN 62 2HE2
16 A ASN 65 1HD2
16 A ASN 65 2HD2
16 A GLN 73 1HE2
16 A GLN 73 2HE2
16 A ASN 79 1HD2
16 A ASN 79 2HD2
17 A GLN 62 1HE2
17 A GLN 62 2HE2
17 A ASN 65 1HD2
17 A ASN 65 2HD2
17 A GLN 73 1HE2
17 A GLN 73 2HE2
17 A ASN 79 1HD2
17 A ASN 79 2HD2
18 A GLN 62 1HE2
18 A GLN 62 2HE2
18 A ASN 65 1HD2
18 A ASN 65 2HD2
18 A GLN 73 1HE2
18 A GLN 73 2HE2
18 A ASN 79 1HD2
18 A ASN 79 2HD2
19 A GLN 62 1HE2
19 A GLN 62 2HE2
19 A ASN 65 1HD2
19 A ASN 65 2HD2
19 A GLN 73 1HE2
19 A GLN 73 2HE2
19 A ASN 79 1HD2
19 A ASN 79 2HD2
20 A GLN 62 1HE2
20 A GLN 62 2HE2
20 A ASN 65 1HD2
20 A ASN 65 2HD2
20 A GLN 73 1HE2
20 A GLN 73 2HE2
20 A ASN 79 1HD2
20 A ASN 79 2HD2
OTHER IMPORTANT ISSUES
==> The following residues are missing:
(Note: The SEQ number starts from 1 for each chain according to SEQRES
sequence record.)
RES MOD#C SEQ
MET( 1 A-100 )
THR( 1 A -99 )
SER( 1 A -98 )
THR( 1 A -97 )
PHE( 1 A -96 )
ASP( 1 A -95 )
ARG( 1 A -94 )
VAL( 1 A -93 )
ALA( 1 A -92 )
THR( 1 A -91 )
ILE( 1 A -90 )
ILE( 1 A -89 )
ALA( 1 A -88 )
GLU( 1 A -87 )
THR( 1 A -86 )
CYS( 1 A -85 )
ASP( 1 A -84 )
ILE( 1 A -83 )
PRO( 1 A -82 )
ARG( 1 A -81 )
GLU( 1 A -80 )
THR( 1 A -79 )
ILE( 1 A -78 )
THR( 1 A -77 )
PRO( 1 A -76 )
GLU( 1 A -75 )
SER( 1 A -74 )
HIS( 1 A -73 )
ALA( 1 A -72 )
ILE( 1 A -71 )
ASP( 1 A -70 )
ASP( 1 A -69 )
LEU( 1 A -68 )
GLY( 1 A -67 )
ILE( 1 A -66 )
ASP( 1 A -65 )
SER( 1 A -64 )
LEU( 1 A -63 )
ASP( 1 A -62 )
PHE( 1 A -61 )
LEU( 1 A -60 )
ASP( 1 A -59 )
ILE( 1 A -58 )
ALA( 1 A -57 )
PHE( 1 A -56 )
ALA( 1 A -55 )
ILE( 1 A -54 )
ASP( 1 A -53 )
LYS( 1 A -52 )
ALA( 1 A -51 )
PHE( 1 A -50 )
GLY( 1 A -49 )
ILE( 1 A -48 )
LYS( 1 A -47 )
LEU( 1 A -46 )
PRO( 1 A -45 )
LEU( 1 A -44 )
GLU( 1 A -43 )
LYS( 1 A -42 )
TRP( 1 A -41 )
THR( 1 A -40 )
GLN( 1 A -39 )
GLU( 1 A -38 )
VAL( 1 A -37 )
ASN( 1 A -36 )
ASP( 1 A -35 )
GLY( 1 A -34 )
LYS( 1 A -33 )
ALA( 1 A -32 )
THR( 1 A -31 )
THR( 1 A -30 )
GLU( 1 A -29 )
GLN( 1 A -28 )
TYR( 1 A -27 )
PHE( 1 A -26 )
VAL( 1 A -25 )
LEU( 1 A -24 )
LYS( 1 A -23 )
ASN( 1 A -22 )
LEU( 1 A -21 )
ALA( 1 A -20 )
ALA( 1 A -19 )
ARG( 1 A -18 )
ILE( 1 A -17 )
ASP( 1 A -16 )
GLU( 1 A -15 )
LEU( 1 A -14 )
VAL( 1 A -13 )
ALA( 1 A -12 )
ALA( 1 A -11 )
LYS( 1 A -10 )
GLY( 1 A -9 )
ALA( 1 A -8 )
LEU( 1 A -7 )
GLU( 1 A -6 )
HIS( 1 A -5 )
HIS( 1 A -4 )
HIS( 1 A -3 )
HIS( 1 A -2 )
HIS( 1 A -1 )
HIS( 1 A 0 )
MET( 2 A-100 )
THR( 2 A -99 )
SER( 2 A -98 )
THR( 2 A -97 )
PHE( 2 A -96 )
ASP( 2 A -95 )
ARG( 2 A -94 )
VAL( 2 A -93 )
ALA( 2 A -92 )
THR( 2 A -91 )
ILE( 2 A -90 )
ILE( 2 A -89 )
ALA( 2 A -88 )
GLU( 2 A -87 )
THR( 2 A -86 )
CYS( 2 A -85 )
ASP( 2 A -84 )
ILE( 2 A -83 )
PRO( 2 A -82 )
ARG( 2 A -81 )
GLU( 2 A -80 )
THR( 2 A -79 )
ILE( 2 A -78 )
THR( 2 A -77 )
PRO( 2 A -76 )
GLU( 2 A -75 )
SER( 2 A -74 )
HIS( 2 A -73 )
ALA( 2 A -72 )
ILE( 2 A -71 )
ASP( 2 A -70 )
ASP( 2 A -69 )
LEU( 2 A -68 )
GLY( 2 A -67 )
ILE( 2 A -66 )
ASP( 2 A -65 )
SER( 2 A -64 )
LEU( 2 A -63 )
ASP( 2 A -62 )
PHE( 2 A -61 )
LEU( 2 A -60 )
ASP( 2 A -59 )
ILE( 2 A -58 )
ALA( 2 A -57 )
PHE( 2 A -56 )
ALA( 2 A -55 )
ILE( 2 A -54 )
ASP( 2 A -53 )
LYS( 2 A -52 )
ALA( 2 A -51 )
PHE( 2 A -50 )
GLY( 2 A -49 )
ILE( 2 A -48 )
LYS( 2 A -47 )
LEU( 2 A -46 )
PRO( 2 A -45 )
LEU( 2 A -44 )
GLU( 2 A -43 )
LYS( 2 A -42 )
TRP( 2 A -41 )
THR( 2 A -40 )
GLN( 2 A -39 )
GLU( 2 A -38 )
VAL( 2 A -37 )
ASN( 2 A -36 )
ASP( 2 A -35 )
GLY( 2 A -34 )
LYS( 2 A -33 )
ALA( 2 A -32 )
THR( 2 A -31 )
THR( 2 A -30 )
GLU( 2 A -29 )
GLN( 2 A -28 )
TYR( 2 A -27 )
PHE( 2 A -26 )
VAL( 2 A -25 )
LEU( 2 A -24 )
LYS( 2 A -23 )
ASN( 2 A -22 )
LEU( 2 A -21 )
ALA( 2 A -20 )
ALA( 2 A -19 )
ARG( 2 A -18 )
ILE( 2 A -17 )
ASP( 2 A -16 )
GLU( 2 A -15 )
LEU( 2 A -14 )
VAL( 2 A -13 )
ALA( 2 A -12 )
ALA( 2 A -11 )
LYS( 2 A -10 )
GLY( 2 A -9 )
ALA( 2 A -8 )
LEU( 2 A -7 )
GLU( 2 A -6 )
HIS( 2 A -5 )
HIS( 2 A -4 )
HIS( 2 A -3 )
HIS( 2 A -2 )
HIS( 2 A -1 )
HIS( 2 A 0 )
MET( 3 A-100 )
THR( 3 A -99 )
SER( 3 A -98 )
THR( 3 A -97 )
PHE( 3 A -96 )
ASP( 3 A -95 )
ARG( 3 A -94 )
VAL( 3 A -93 )
ALA( 3 A -92 )
THR( 3 A -91 )
ILE( 3 A -90 )
ILE( 3 A -89 )
ALA( 3 A -88 )
GLU( 3 A -87 )
THR( 3 A -86 )
CYS( 3 A -85 )
ASP( 3 A -84 )
ILE( 3 A -83 )
PRO( 3 A -82 )
ARG( 3 A -81 )
GLU( 3 A -80 )
THR( 3 A -79 )
ILE( 3 A -78 )
THR( 3 A -77 )
PRO( 3 A -76 )
GLU( 3 A -75 )
SER( 3 A -74 )
HIS( 3 A -73 )
ALA( 3 A -72 )
ILE( 3 A -71 )
ASP( 3 A -70 )
ASP( 3 A -69 )
LEU( 3 A -68 )
GLY( 3 A -67 )
ILE( 3 A -66 )
ASP( 3 A -65 )
SER( 3 A -64 )
LEU( 3 A -63 )
ASP( 3 A -62 )
PHE( 3 A -61 )
LEU( 3 A -60 )
ASP( 3 A -59 )
ILE( 3 A -58 )
ALA( 3 A -57 )
PHE( 3 A -56 )
ALA( 3 A -55 )
ILE( 3 A -54 )
ASP( 3 A -53 )
LYS( 3 A -52 )
ALA( 3 A -51 )
PHE( 3 A -50 )
GLY( 3 A -49 )
ILE( 3 A -48 )
LYS( 3 A -47 )
LEU( 3 A -46 )
PRO( 3 A -45 )
LEU( 3 A -44 )
GLU( 3 A -43 )
LYS( 3 A -42 )
TRP( 3 A -41 )
THR( 3 A -40 )
GLN( 3 A -39 )
GLU( 3 A -38 )
VAL( 3 A -37 )
ASN( 3 A -36 )
ASP( 3 A -35 )
GLY( 3 A -34 )
LYS( 3 A -33 )
ALA( 3 A -32 )
THR( 3 A -31 )
THR( 3 A -30 )
GLU( 3 A -29 )
GLN( 3 A -28 )
TYR( 3 A -27 )
PHE( 3 A -26 )
VAL( 3 A -25 )
LEU( 3 A -24 )
LYS( 3 A -23 )
ASN( 3 A -22 )
LEU( 3 A -21 )
ALA( 3 A -20 )
ALA( 3 A -19 )
ARG( 3 A -18 )
ILE( 3 A -17 )
ASP( 3 A -16 )
GLU( 3 A -15 )
LEU( 3 A -14 )
VAL( 3 A -13 )
ALA( 3 A -12 )
ALA( 3 A -11 )
LYS( 3 A -10 )
GLY( 3 A -9 )
ALA( 3 A -8 )
LEU( 3 A -7 )
GLU( 3 A -6 )
HIS( 3 A -5 )
HIS( 3 A -4 )
HIS( 3 A -3 )
HIS( 3 A -2 )
HIS( 3 A -1 )
HIS( 3 A 0 )
MET( 4 A-100 )
THR( 4 A -99 )
SER( 4 A -98 )
THR( 4 A -97 )
PHE( 4 A -96 )
ASP( 4 A -95 )
ARG( 4 A -94 )
VAL( 4 A -93 )
ALA( 4 A -92 )
THR( 4 A -91 )
ILE( 4 A -90 )
ILE( 4 A -89 )
ALA( 4 A -88 )
GLU( 4 A -87 )
THR( 4 A -86 )
CYS( 4 A -85 )
ASP( 4 A -84 )
ILE( 4 A -83 )
PRO( 4 A -82 )
ARG( 4 A -81 )
GLU( 4 A -80 )
THR( 4 A -79 )
ILE( 4 A -78 )
THR( 4 A -77 )
PRO( 4 A -76 )
GLU( 4 A -75 )
SER( 4 A -74 )
HIS( 4 A -73 )
ALA( 4 A -72 )
ILE( 4 A -71 )
ASP( 4 A -70 )
ASP( 4 A -69 )
LEU( 4 A -68 )
GLY( 4 A -67 )
ILE( 4 A -66 )
ASP( 4 A -65 )
SER( 4 A -64 )
LEU( 4 A -63 )
ASP( 4 A -62 )
PHE( 4 A -61 )
LEU( 4 A -60 )
ASP( 4 A -59 )
ILE( 4 A -58 )
ALA( 4 A -57 )
PHE( 4 A -56 )
ALA( 4 A -55 )
ILE( 4 A -54 )
ASP( 4 A -53 )
LYS( 4 A -52 )
ALA( 4 A -51 )
PHE( 4 A -50 )
GLY( 4 A -49 )
ILE( 4 A -48 )
LYS( 4 A -47 )
LEU( 4 A -46 )
PRO( 4 A -45 )
LEU( 4 A -44 )
GLU( 4 A -43 )
LYS( 4 A -42 )
TRP( 4 A -41 )
THR( 4 A -40 )
GLN( 4 A -39 )
GLU( 4 A -38 )
VAL( 4 A -37 )
ASN( 4 A -36 )
ASP( 4 A -35 )
GLY( 4 A -34 )
LYS( 4 A -33 )
ALA( 4 A -32 )
THR( 4 A -31 )
THR( 4 A -30 )
GLU( 4 A -29 )
GLN( 4 A -28 )
TYR( 4 A -27 )
PHE( 4 A -26 )
VAL( 4 A -25 )
LEU( 4 A -24 )
LYS( 4 A -23 )
ASN( 4 A -22 )
LEU( 4 A -21 )
ALA( 4 A -20 )
ALA( 4 A -19 )
ARG( 4 A -18 )
ILE( 4 A -17 )
ASP( 4 A -16 )
GLU( 4 A -15 )
LEU( 4 A -14 )
VAL( 4 A -13 )
ALA( 4 A -12 )
ALA( 4 A -11 )
LYS( 4 A -10 )
GLY( 4 A -9 )
ALA( 4 A -8 )
LEU( 4 A -7 )
GLU( 4 A -6 )
HIS( 4 A -5 )
HIS( 4 A -4 )
HIS( 4 A -3 )
HIS( 4 A -2 )
HIS( 4 A -1 )
HIS( 4 A 0 )
MET( 5 A-100 )
THR( 5 A -99 )
SER( 5 A -98 )
THR( 5 A -97 )
PHE( 5 A -96 )
ASP( 5 A -95 )
ARG( 5 A -94 )
VAL( 5 A -93 )
ALA( 5 A -92 )
THR( 5 A -91 )
ILE( 5 A -90 )
ILE( 5 A -89 )
ALA( 5 A -88 )
GLU( 5 A -87 )
THR( 5 A -86 )
CYS( 5 A -85 )
ASP( 5 A -84 )
ILE( 5 A -83 )
PRO( 5 A -82 )
ARG( 5 A -81 )
GLU( 5 A -80 )
THR( 5 A -79 )
ILE( 5 A -78 )
THR( 5 A -77 )
PRO( 5 A -76 )
GLU( 5 A -75 )
SER( 5 A -74 )
HIS( 5 A -73 )
ALA( 5 A -72 )
ILE( 5 A -71 )
ASP( 5 A -70 )
ASP( 5 A -69 )
LEU( 5 A -68 )
GLY( 5 A -67 )
ILE( 5 A -66 )
ASP( 5 A -65 )
SER( 5 A -64 )
LEU( 5 A -63 )
ASP( 5 A -62 )
PHE( 5 A -61 )
LEU( 5 A -60 )
ASP( 5 A -59 )
ILE( 5 A -58 )
ALA( 5 A -57 )
PHE( 5 A -56 )
ALA( 5 A -55 )
ILE( 5 A -54 )
ASP( 5 A -53 )
LYS( 5 A -52 )
ALA( 5 A -51 )
PHE( 5 A -50 )
GLY( 5 A -49 )
ILE( 5 A -48 )
LYS( 5 A -47 )
LEU( 5 A -46 )
PRO( 5 A -45 )
LEU( 5 A -44 )
GLU( 5 A -43 )
LYS( 5 A -42 )
TRP( 5 A -41 )
THR( 5 A -40 )
GLN( 5 A -39 )
GLU( 5 A -38 )
VAL( 5 A -37 )
ASN( 5 A -36 )
ASP( 5 A -35 )
GLY( 5 A -34 )
LYS( 5 A -33 )
ALA( 5 A -32 )
THR( 5 A -31 )
THR( 5 A -30 )
GLU( 5 A -29 )
GLN( 5 A -28 )
TYR( 5 A -27 )
PHE( 5 A -26 )
VAL( 5 A -25 )
LEU( 5 A -24 )
LYS( 5 A -23 )
ASN( 5 A -22 )
LEU( 5 A -21 )
ALA( 5 A -20 )
ALA( 5 A -19 )
ARG( 5 A -18 )
ILE( 5 A -17 )
ASP( 5 A -16 )
GLU( 5 A -15 )
LEU( 5 A -14 )
VAL( 5 A -13 )
ALA( 5 A -12 )
ALA( 5 A -11 )
LYS( 5 A -10 )
GLY( 5 A -9 )
ALA( 5 A -8 )
LEU( 5 A -7 )
GLU( 5 A -6 )
HIS( 5 A -5 )
HIS( 5 A -4 )
HIS( 5 A -3 )
HIS( 5 A -2 )
HIS( 5 A -1 )
HIS( 5 A 0 )
MET( 6 A-100 )
THR( 6 A -99 )
SER( 6 A -98 )
THR( 6 A -97 )
PHE( 6 A -96 )
ASP( 6 A -95 )
ARG( 6 A -94 )
VAL( 6 A -93 )
ALA( 6 A -92 )
THR( 6 A -91 )
ILE( 6 A -90 )
ILE( 6 A -89 )
ALA( 6 A -88 )
GLU( 6 A -87 )
THR( 6 A -86 )
CYS( 6 A -85 )
ASP( 6 A -84 )
ILE( 6 A -83 )
PRO( 6 A -82 )
ARG( 6 A -81 )
GLU( 6 A -80 )
THR( 6 A -79 )
ILE( 6 A -78 )
THR( 6 A -77 )
PRO( 6 A -76 )
GLU( 6 A -75 )
SER( 6 A -74 )
HIS( 6 A -73 )
ALA( 6 A -72 )
ILE( 6 A -71 )
ASP( 6 A -70 )
ASP( 6 A -69 )
LEU( 6 A -68 )
GLY( 6 A -67 )
ILE( 6 A -66 )
ASP( 6 A -65 )
SER( 6 A -64 )
LEU( 6 A -63 )
ASP( 6 A -62 )
PHE( 6 A -61 )
LEU( 6 A -60 )
ASP( 6 A -59 )
ILE( 6 A -58 )
ALA( 6 A -57 )
PHE( 6 A -56 )
ALA( 6 A -55 )
ILE( 6 A -54 )
ASP( 6 A -53 )
LYS( 6 A -52 )
ALA( 6 A -51 )
PHE( 6 A -50 )
GLY( 6 A -49 )
ILE( 6 A -48 )
LYS( 6 A -47 )
LEU( 6 A -46 )
PRO( 6 A -45 )
LEU( 6 A -44 )
GLU( 6 A -43 )
LYS( 6 A -42 )
TRP( 6 A -41 )
THR( 6 A -40 )
GLN( 6 A -39 )
GLU( 6 A -38 )
VAL( 6 A -37 )
ASN( 6 A -36 )
ASP( 6 A -35 )
GLY( 6 A -34 )
LYS( 6 A -33 )
ALA( 6 A -32 )
THR( 6 A -31 )
THR( 6 A -30 )
GLU( 6 A -29 )
GLN( 6 A -28 )
TYR( 6 A -27 )
PHE( 6 A -26 )
VAL( 6 A -25 )
LEU( 6 A -24 )
LYS( 6 A -23 )
ASN( 6 A -22 )
LEU( 6 A -21 )
ALA( 6 A -20 )
ALA( 6 A -19 )
ARG( 6 A -18 )
ILE( 6 A -17 )
ASP( 6 A -16 )
GLU( 6 A -15 )
LEU( 6 A -14 )
VAL( 6 A -13 )
ALA( 6 A -12 )
ALA( 6 A -11 )
LYS( 6 A -10 )
GLY( 6 A -9 )
ALA( 6 A -8 )
LEU( 6 A -7 )
GLU( 6 A -6 )
HIS( 6 A -5 )
HIS( 6 A -4 )
HIS( 6 A -3 )
HIS( 6 A -2 )
HIS( 6 A -1 )
HIS( 6 A 0 )
MET( 7 A-100 )
THR( 7 A -99 )
SER( 7 A -98 )
THR( 7 A -97 )
PHE( 7 A -96 )
ASP( 7 A -95 )
ARG( 7 A -94 )
VAL( 7 A -93 )
ALA( 7 A -92 )
THR( 7 A -91 )
ILE( 7 A -90 )
ILE( 7 A -89 )
ALA( 7 A -88 )
GLU( 7 A -87 )
THR( 7 A -86 )
CYS( 7 A -85 )
ASP( 7 A -84 )
ILE( 7 A -83 )
PRO( 7 A -82 )
ARG( 7 A -81 )
GLU( 7 A -80 )
THR( 7 A -79 )
ILE( 7 A -78 )
THR( 7 A -77 )
PRO( 7 A -76 )
GLU( 7 A -75 )
SER( 7 A -74 )
HIS( 7 A -73 )
ALA( 7 A -72 )
ILE( 7 A -71 )
ASP( 7 A -70 )
ASP( 7 A -69 )
LEU( 7 A -68 )
GLY( 7 A -67 )
ILE( 7 A -66 )
ASP( 7 A -65 )
SER( 7 A -64 )
LEU( 7 A -63 )
ASP( 7 A -62 )
PHE( 7 A -61 )
LEU( 7 A -60 )
ASP( 7 A -59 )
ILE( 7 A -58 )
ALA( 7 A -57 )
PHE( 7 A -56 )
ALA( 7 A -55 )
ILE( 7 A -54 )
ASP( 7 A -53 )
LYS( 7 A -52 )
ALA( 7 A -51 )
PHE( 7 A -50 )
GLY( 7 A -49 )
ILE( 7 A -48 )
LYS( 7 A -47 )
LEU( 7 A -46 )
PRO( 7 A -45 )
LEU( 7 A -44 )
GLU( 7 A -43 )
LYS( 7 A -42 )
TRP( 7 A -41 )
THR( 7 A -40 )
GLN( 7 A -39 )
GLU( 7 A -38 )
VAL( 7 A -37 )
ASN( 7 A -36 )
ASP( 7 A -35 )
GLY( 7 A -34 )
LYS( 7 A -33 )
ALA( 7 A -32 )
THR( 7 A -31 )
THR( 7 A -30 )
GLU( 7 A -29 )
GLN( 7 A -28 )
TYR( 7 A -27 )
PHE( 7 A -26 )
VAL( 7 A -25 )
LEU( 7 A -24 )
LYS( 7 A -23 )
ASN( 7 A -22 )
LEU( 7 A -21 )
ALA( 7 A -20 )
ALA( 7 A -19 )
ARG( 7 A -18 )
ILE( 7 A -17 )
ASP( 7 A -16 )
GLU( 7 A -15 )
LEU( 7 A -14 )
VAL( 7 A -13 )
ALA( 7 A -12 )
ALA( 7 A -11 )
LYS( 7 A -10 )
GLY( 7 A -9 )
ALA( 7 A -8 )
LEU( 7 A -7 )
GLU( 7 A -6 )
HIS( 7 A -5 )
HIS( 7 A -4 )
HIS( 7 A -3 )
HIS( 7 A -2 )
HIS( 7 A -1 )
HIS( 7 A 0 )
MET( 8 A-100 )
THR( 8 A -99 )
SER( 8 A -98 )
THR( 8 A -97 )
PHE( 8 A -96 )
ASP( 8 A -95 )
ARG( 8 A -94 )
VAL( 8 A -93 )
ALA( 8 A -92 )
THR( 8 A -91 )
ILE( 8 A -90 )
ILE( 8 A -89 )
ALA( 8 A -88 )
GLU( 8 A -87 )
THR( 8 A -86 )
CYS( 8 A -85 )
ASP( 8 A -84 )
ILE( 8 A -83 )
PRO( 8 A -82 )
ARG( 8 A -81 )
GLU( 8 A -80 )
THR( 8 A -79 )
ILE( 8 A -78 )
THR( 8 A -77 )
PRO( 8 A -76 )
GLU( 8 A -75 )
SER( 8 A -74 )
HIS( 8 A -73 )
ALA( 8 A -72 )
ILE( 8 A -71 )
ASP( 8 A -70 )
ASP( 8 A -69 )
LEU( 8 A -68 )
GLY( 8 A -67 )
ILE( 8 A -66 )
ASP( 8 A -65 )
SER( 8 A -64 )
LEU( 8 A -63 )
ASP( 8 A -62 )
PHE( 8 A -61 )
LEU( 8 A -60 )
ASP( 8 A -59 )
ILE( 8 A -58 )
ALA( 8 A -57 )
PHE( 8 A -56 )
ALA( 8 A -55 )
ILE( 8 A -54 )
ASP( 8 A -53 )
LYS( 8 A -52 )
ALA( 8 A -51 )
PHE( 8 A -50 )
GLY( 8 A -49 )
ILE( 8 A -48 )
LYS( 8 A -47 )
LEU( 8 A -46 )
PRO( 8 A -45 )
LEU( 8 A -44 )
GLU( 8 A -43 )
LYS( 8 A -42 )
TRP( 8 A -41 )
THR( 8 A -40 )
GLN( 8 A -39 )
GLU( 8 A -38 )
VAL( 8 A -37 )
ASN( 8 A -36 )
ASP( 8 A -35 )
GLY( 8 A -34 )
LYS( 8 A -33 )
ALA( 8 A -32 )
THR( 8 A -31 )
THR( 8 A -30 )
GLU( 8 A -29 )
GLN( 8 A -28 )
TYR( 8 A -27 )
PHE( 8 A -26 )
VAL( 8 A -25 )
LEU( 8 A -24 )
LYS( 8 A -23 )
ASN( 8 A -22 )
LEU( 8 A -21 )
ALA( 8 A -20 )
ALA( 8 A -19 )
ARG( 8 A -18 )
ILE( 8 A -17 )
ASP( 8 A -16 )
GLU( 8 A -15 )
LEU( 8 A -14 )
VAL( 8 A -13 )
ALA( 8 A -12 )
ALA( 8 A -11 )
LYS( 8 A -10 )
GLY( 8 A -9 )
ALA( 8 A -8 )
LEU( 8 A -7 )
GLU( 8 A -6 )
HIS( 8 A -5 )
HIS( 8 A -4 )
HIS( 8 A -3 )
HIS( 8 A -2 )
HIS( 8 A -1 )
HIS( 8 A 0 )
MET( 9 A-100 )
THR( 9 A -99 )
SER( 9 A -98 )
THR( 9 A -97 )
PHE( 9 A -96 )
ASP( 9 A -95 )
ARG( 9 A -94 )
VAL( 9 A -93 )
ALA( 9 A -92 )
THR( 9 A -91 )
ILE( 9 A -90 )
ILE( 9 A -89 )
ALA( 9 A -88 )
GLU( 9 A -87 )
THR( 9 A -86 )
CYS( 9 A -85 )
ASP( 9 A -84 )
ILE( 9 A -83 )
PRO( 9 A -82 )
ARG( 9 A -81 )
GLU( 9 A -80 )
THR( 9 A -79 )
ILE( 9 A -78 )
THR( 9 A -77 )
PRO( 9 A -76 )
GLU( 9 A -75 )
SER( 9 A -74 )
HIS( 9 A -73 )
ALA( 9 A -72 )
ILE( 9 A -71 )
ASP( 9 A -70 )
ASP( 9 A -69 )
LEU( 9 A -68 )
GLY( 9 A -67 )
ILE( 9 A -66 )
ASP( 9 A -65 )
SER( 9 A -64 )
LEU( 9 A -63 )
ASP( 9 A -62 )
PHE( 9 A -61 )
LEU( 9 A -60 )
ASP( 9 A -59 )
ILE( 9 A -58 )
ALA( 9 A -57 )
PHE( 9 A -56 )
ALA( 9 A -55 )
ILE( 9 A -54 )
ASP( 9 A -53 )
LYS( 9 A -52 )
ALA( 9 A -51 )
PHE( 9 A -50 )
GLY( 9 A -49 )
ILE( 9 A -48 )
LYS( 9 A -47 )
LEU( 9 A -46 )
PRO( 9 A -45 )
LEU( 9 A -44 )
GLU( 9 A -43 )
LYS( 9 A -42 )
TRP( 9 A -41 )
THR( 9 A -40 )
GLN( 9 A -39 )
GLU( 9 A -38 )
VAL( 9 A -37 )
ASN( 9 A -36 )
ASP( 9 A -35 )
GLY( 9 A -34 )
LYS( 9 A -33 )
ALA( 9 A -32 )
THR( 9 A -31 )
THR( 9 A -30 )
GLU( 9 A -29 )
GLN( 9 A -28 )
TYR( 9 A -27 )
PHE( 9 A -26 )
VAL( 9 A -25 )
LEU( 9 A -24 )
LYS( 9 A -23 )
ASN( 9 A -22 )
LEU( 9 A -21 )
ALA( 9 A -20 )
ALA( 9 A -19 )
ARG( 9 A -18 )
ILE( 9 A -17 )
ASP( 9 A -16 )
GLU( 9 A -15 )
LEU( 9 A -14 )
VAL( 9 A -13 )
ALA( 9 A -12 )
ALA( 9 A -11 )
LYS( 9 A -10 )
GLY( 9 A -9 )
ALA( 9 A -8 )
LEU( 9 A -7 )
GLU( 9 A -6 )
HIS( 9 A -5 )
HIS( 9 A -4 )
HIS( 9 A -3 )
HIS( 9 A -2 )
HIS( 9 A -1 )
HIS( 9 A 0 )
MET( 10 A-100 )
THR( 10 A -99 )
SER( 10 A -98 )
THR( 10 A -97 )
PHE( 10 A -96 )
ASP( 10 A -95 )
ARG( 10 A -94 )
VAL( 10 A -93 )
ALA( 10 A -92 )
THR( 10 A -91 )
ILE( 10 A -90 )
ILE( 10 A -89 )
ALA( 10 A -88 )
GLU( 10 A -87 )
THR( 10 A -86 )
CYS( 10 A -85 )
ASP( 10 A -84 )
ILE( 10 A -83 )
PRO( 10 A -82 )
ARG( 10 A -81 )
GLU( 10 A -80 )
THR( 10 A -79 )
ILE( 10 A -78 )
THR( 10 A -77 )
PRO( 10 A -76 )
GLU( 10 A -75 )
SER( 10 A -74 )
HIS( 10 A -73 )
ALA( 10 A -72 )
ILE( 10 A -71 )
ASP( 10 A -70 )
ASP( 10 A -69 )
LEU( 10 A -68 )
GLY( 10 A -67 )
ILE( 10 A -66 )
ASP( 10 A -65 )
SER( 10 A -64 )
LEU( 10 A -63 )
ASP( 10 A -62 )
PHE( 10 A -61 )
LEU( 10 A -60 )
ASP( 10 A -59 )
ILE( 10 A -58 )
ALA( 10 A -57 )
PHE( 10 A -56 )
ALA( 10 A -55 )
ILE( 10 A -54 )
ASP( 10 A -53 )
LYS( 10 A -52 )
ALA( 10 A -51 )
PHE( 10 A -50 )
GLY( 10 A -49 )
ILE( 10 A -48 )
LYS( 10 A -47 )
LEU( 10 A -46 )
PRO( 10 A -45 )
LEU( 10 A -44 )
GLU( 10 A -43 )
LYS( 10 A -42 )
TRP( 10 A -41 )
THR( 10 A -40 )
GLN( 10 A -39 )
GLU( 10 A -38 )
VAL( 10 A -37 )
ASN( 10 A -36 )
ASP( 10 A -35 )
GLY( 10 A -34 )
LYS( 10 A -33 )
ALA( 10 A -32 )
THR( 10 A -31 )
THR( 10 A -30 )
GLU( 10 A -29 )
GLN( 10 A -28 )
TYR( 10 A -27 )
PHE( 10 A -26 )
VAL( 10 A -25 )
LEU( 10 A -24 )
LYS( 10 A -23 )
ASN( 10 A -22 )
LEU( 10 A -21 )
ALA( 10 A -20 )
ALA( 10 A -19 )
ARG( 10 A -18 )
ILE( 10 A -17 )
ASP( 10 A -16 )
GLU( 10 A -15 )
LEU( 10 A -14 )
VAL( 10 A -13 )
ALA( 10 A -12 )
ALA( 10 A -11 )
LYS( 10 A -10 )
GLY( 10 A -9 )
ALA( 10 A -8 )
LEU( 10 A -7 )
GLU( 10 A -6 )
HIS( 10 A -5 )
HIS( 10 A -4 )
HIS( 10 A -3 )
HIS( 10 A -2 )
HIS( 10 A -1 )
HIS( 10 A 0 )
MET( 11 A-100 )
THR( 11 A -99 )
SER( 11 A -98 )
THR( 11 A -97 )
PHE( 11 A -96 )
ASP( 11 A -95 )
ARG( 11 A -94 )
VAL( 11 A -93 )
ALA( 11 A -92 )
THR( 11 A -91 )
ILE( 11 A -90 )
ILE( 11 A -89 )
ALA( 11 A -88 )
GLU( 11 A -87 )
THR( 11 A -86 )
CYS( 11 A -85 )
ASP( 11 A -84 )
ILE( 11 A -83 )
PRO( 11 A -82 )
ARG( 11 A -81 )
GLU( 11 A -80 )
THR( 11 A -79 )
ILE( 11 A -78 )
THR( 11 A -77 )
PRO( 11 A -76 )
GLU( 11 A -75 )
SER( 11 A -74 )
HIS( 11 A -73 )
ALA( 11 A -72 )
ILE( 11 A -71 )
ASP( 11 A -70 )
ASP( 11 A -69 )
LEU( 11 A -68 )
GLY( 11 A -67 )
ILE( 11 A -66 )
ASP( 11 A -65 )
SER( 11 A -64 )
LEU( 11 A -63 )
ASP( 11 A -62 )
PHE( 11 A -61 )
LEU( 11 A -60 )
ASP( 11 A -59 )
ILE( 11 A -58 )
ALA( 11 A -57 )
PHE( 11 A -56 )
ALA( 11 A -55 )
ILE( 11 A -54 )
ASP( 11 A -53 )
LYS( 11 A -52 )
ALA( 11 A -51 )
PHE( 11 A -50 )
GLY( 11 A -49 )
ILE( 11 A -48 )
LYS( 11 A -47 )
LEU( 11 A -46 )
PRO( 11 A -45 )
LEU( 11 A -44 )
GLU( 11 A -43 )
LYS( 11 A -42 )
TRP( 11 A -41 )
THR( 11 A -40 )
GLN( 11 A -39 )
GLU( 11 A -38 )
VAL( 11 A -37 )
ASN( 11 A -36 )
ASP( 11 A -35 )
GLY( 11 A -34 )
LYS( 11 A -33 )
ALA( 11 A -32 )
THR( 11 A -31 )
THR( 11 A -30 )
GLU( 11 A -29 )
GLN( 11 A -28 )
TYR( 11 A -27 )
PHE( 11 A -26 )
VAL( 11 A -25 )
LEU( 11 A -24 )
LYS( 11 A -23 )
ASN( 11 A -22 )
LEU( 11 A -21 )
ALA( 11 A -20 )
ALA( 11 A -19 )
ARG( 11 A -18 )
ILE( 11 A -17 )
ASP( 11 A -16 )
GLU( 11 A -15 )
LEU( 11 A -14 )
VAL( 11 A -13 )
ALA( 11 A -12 )
ALA( 11 A -11 )
LYS( 11 A -10 )
GLY( 11 A -9 )
ALA( 11 A -8 )
LEU( 11 A -7 )
GLU( 11 A -6 )
HIS( 11 A -5 )
HIS( 11 A -4 )
HIS( 11 A -3 )
HIS( 11 A -2 )
HIS( 11 A -1 )
HIS( 11 A 0 )
MET( 12 A-100 )
THR( 12 A -99 )
SER( 12 A -98 )
THR( 12 A -97 )
PHE( 12 A -96 )
ASP( 12 A -95 )
ARG( 12 A -94 )
VAL( 12 A -93 )
ALA( 12 A -92 )
THR( 12 A -91 )
ILE( 12 A -90 )
ILE( 12 A -89 )
ALA( 12 A -88 )
GLU( 12 A -87 )
THR( 12 A -86 )
CYS( 12 A -85 )
ASP( 12 A -84 )
ILE( 12 A -83 )
PRO( 12 A -82 )
ARG( 12 A -81 )
GLU( 12 A -80 )
THR( 12 A -79 )
ILE( 12 A -78 )
THR( 12 A -77 )
PRO( 12 A -76 )
GLU( 12 A -75 )
SER( 12 A -74 )
HIS( 12 A -73 )
ALA( 12 A -72 )
ILE( 12 A -71 )
ASP( 12 A -70 )
ASP( 12 A -69 )
LEU( 12 A -68 )
GLY( 12 A -67 )
ILE( 12 A -66 )
ASP( 12 A -65 )
SER( 12 A -64 )
LEU( 12 A -63 )
ASP( 12 A -62 )
PHE( 12 A -61 )
LEU( 12 A -60 )
ASP( 12 A -59 )
ILE( 12 A -58 )
ALA( 12 A -57 )
PHE( 12 A -56 )
ALA( 12 A -55 )
ILE( 12 A -54 )
ASP( 12 A -53 )
LYS( 12 A -52 )
ALA( 12 A -51 )
PHE( 12 A -50 )
GLY( 12 A -49 )
ILE( 12 A -48 )
LYS( 12 A -47 )
LEU( 12 A -46 )
PRO( 12 A -45 )
LEU( 12 A -44 )
GLU( 12 A -43 )
LYS( 12 A -42 )
TRP( 12 A -41 )
THR( 12 A -40 )
GLN( 12 A -39 )
GLU( 12 A -38 )
VAL( 12 A -37 )
ASN( 12 A -36 )
ASP( 12 A -35 )
GLY( 12 A -34 )
LYS( 12 A -33 )
ALA( 12 A -32 )
THR( 12 A -31 )
THR( 12 A -30 )
GLU( 12 A -29 )
GLN( 12 A -28 )
TYR( 12 A -27 )
PHE( 12 A -26 )
VAL( 12 A -25 )
LEU( 12 A -24 )
LYS( 12 A -23 )
ASN( 12 A -22 )
LEU( 12 A -21 )
ALA( 12 A -20 )
ALA( 12 A -19 )
ARG( 12 A -18 )
ILE( 12 A -17 )
ASP( 12 A -16 )
GLU( 12 A -15 )
LEU( 12 A -14 )
VAL( 12 A -13 )
ALA( 12 A -12 )
ALA( 12 A -11 )
LYS( 12 A -10 )
GLY( 12 A -9 )
ALA( 12 A -8 )
LEU( 12 A -7 )
GLU( 12 A -6 )
HIS( 12 A -5 )
HIS( 12 A -4 )
HIS( 12 A -3 )
HIS( 12 A -2 )
HIS( 12 A -1 )
HIS( 12 A 0 )
MET( 13 A-100 )
THR( 13 A -99 )
SER( 13 A -98 )
THR( 13 A -97 )
PHE( 13 A -96 )
ASP( 13 A -95 )
ARG( 13 A -94 )
VAL( 13 A -93 )
ALA( 13 A -92 )
THR( 13 A -91 )
ILE( 13 A -90 )
ILE( 13 A -89 )
ALA( 13 A -88 )
GLU( 13 A -87 )
THR( 13 A -86 )
CYS( 13 A -85 )
ASP( 13 A -84 )
ILE( 13 A -83 )
PRO( 13 A -82 )
ARG( 13 A -81 )
GLU( 13 A -80 )
THR( 13 A -79 )
ILE( 13 A -78 )
THR( 13 A -77 )
PRO( 13 A -76 )
GLU( 13 A -75 )
SER( 13 A -74 )
HIS( 13 A -73 )
ALA( 13 A -72 )
ILE( 13 A -71 )
ASP( 13 A -70 )
ASP( 13 A -69 )
LEU( 13 A -68 )
GLY( 13 A -67 )
ILE( 13 A -66 )
ASP( 13 A -65 )
SER( 13 A -64 )
LEU( 13 A -63 )
ASP( 13 A -62 )
PHE( 13 A -61 )
LEU( 13 A -60 )
ASP( 13 A -59 )
ILE( 13 A -58 )
ALA( 13 A -57 )
PHE( 13 A -56 )
ALA( 13 A -55 )
ILE( 13 A -54 )
ASP( 13 A -53 )
LYS( 13 A -52 )
ALA( 13 A -51 )
PHE( 13 A -50 )
GLY( 13 A -49 )
ILE( 13 A -48 )
LYS( 13 A -47 )
LEU( 13 A -46 )
PRO( 13 A -45 )
LEU( 13 A -44 )
GLU( 13 A -43 )
LYS( 13 A -42 )
TRP( 13 A -41 )
THR( 13 A -40 )
GLN( 13 A -39 )
GLU( 13 A -38 )
VAL( 13 A -37 )
ASN( 13 A -36 )
ASP( 13 A -35 )
GLY( 13 A -34 )
LYS( 13 A -33 )
ALA( 13 A -32 )
THR( 13 A -31 )
THR( 13 A -30 )
GLU( 13 A -29 )
GLN( 13 A -28 )
TYR( 13 A -27 )
PHE( 13 A -26 )
VAL( 13 A -25 )
LEU( 13 A -24 )
LYS( 13 A -23 )
ASN( 13 A -22 )
LEU( 13 A -21 )
ALA( 13 A -20 )
ALA( 13 A -19 )
ARG( 13 A -18 )
ILE( 13 A -17 )
ASP( 13 A -16 )
GLU( 13 A -15 )
LEU( 13 A -14 )
VAL( 13 A -13 )
ALA( 13 A -12 )
ALA( 13 A -11 )
LYS( 13 A -10 )
GLY( 13 A -9 )
ALA( 13 A -8 )
LEU( 13 A -7 )
GLU( 13 A -6 )
HIS( 13 A -5 )
HIS( 13 A -4 )
HIS( 13 A -3 )
HIS( 13 A -2 )
HIS( 13 A -1 )
HIS( 13 A 0 )
MET( 14 A-100 )
THR( 14 A -99 )
SER( 14 A -98 )
THR( 14 A -97 )
PHE( 14 A -96 )
ASP( 14 A -95 )
ARG( 14 A -94 )
VAL( 14 A -93 )
ALA( 14 A -92 )
THR( 14 A -91 )
ILE( 14 A -90 )
ILE( 14 A -89 )
ALA( 14 A -88 )
GLU( 14 A -87 )
THR( 14 A -86 )
CYS( 14 A -85 )
ASP( 14 A -84 )
ILE( 14 A -83 )
PRO( 14 A -82 )
ARG( 14 A -81 )
GLU( 14 A -80 )
THR( 14 A -79 )
ILE( 14 A -78 )
THR( 14 A -77 )
PRO( 14 A -76 )
GLU( 14 A -75 )
SER( 14 A -74 )
HIS( 14 A -73 )
ALA( 14 A -72 )
ILE( 14 A -71 )
ASP( 14 A -70 )
ASP( 14 A -69 )
LEU( 14 A -68 )
GLY( 14 A -67 )
ILE( 14 A -66 )
ASP( 14 A -65 )
SER( 14 A -64 )
LEU( 14 A -63 )
ASP( 14 A -62 )
PHE( 14 A -61 )
LEU( 14 A -60 )
ASP( 14 A -59 )
ILE( 14 A -58 )
ALA( 14 A -57 )
PHE( 14 A -56 )
ALA( 14 A -55 )
ILE( 14 A -54 )
ASP( 14 A -53 )
LYS( 14 A -52 )
ALA( 14 A -51 )
PHE( 14 A -50 )
GLY( 14 A -49 )
ILE( 14 A -48 )
LYS( 14 A -47 )
LEU( 14 A -46 )
PRO( 14 A -45 )
LEU( 14 A -44 )
GLU( 14 A -43 )
LYS( 14 A -42 )
TRP( 14 A -41 )
THR( 14 A -40 )
GLN( 14 A -39 )
GLU( 14 A -38 )
VAL( 14 A -37 )
ASN( 14 A -36 )
ASP( 14 A -35 )
GLY( 14 A -34 )
LYS( 14 A -33 )
ALA( 14 A -32 )
THR( 14 A -31 )
THR( 14 A -30 )
GLU( 14 A -29 )
GLN( 14 A -28 )
TYR( 14 A -27 )
PHE( 14 A -26 )
VAL( 14 A -25 )
LEU( 14 A -24 )
LYS( 14 A -23 )
ASN( 14 A -22 )
LEU( 14 A -21 )
ALA( 14 A -20 )
ALA( 14 A -19 )
ARG( 14 A -18 )
ILE( 14 A -17 )
ASP( 14 A -16 )
GLU( 14 A -15 )
LEU( 14 A -14 )
VAL( 14 A -13 )
ALA( 14 A -12 )
ALA( 14 A -11 )
LYS( 14 A -10 )
GLY( 14 A -9 )
ALA( 14 A -8 )
LEU( 14 A -7 )
GLU( 14 A -6 )
HIS( 14 A -5 )
HIS( 14 A -4 )
HIS( 14 A -3 )
HIS( 14 A -2 )
HIS( 14 A -1 )
HIS( 14 A 0 )
MET( 15 A-100 )
THR( 15 A -99 )
SER( 15 A -98 )
THR( 15 A -97 )
PHE( 15 A -96 )
ASP( 15 A -95 )
ARG( 15 A -94 )
VAL( 15 A -93 )
ALA( 15 A -92 )
THR( 15 A -91 )
ILE( 15 A -90 )
ILE( 15 A -89 )
ALA( 15 A -88 )
GLU( 15 A -87 )
THR( 15 A -86 )
CYS( 15 A -85 )
ASP( 15 A -84 )
ILE( 15 A -83 )
PRO( 15 A -82 )
ARG( 15 A -81 )
GLU( 15 A -80 )
THR( 15 A -79 )
ILE( 15 A -78 )
THR( 15 A -77 )
PRO( 15 A -76 )
GLU( 15 A -75 )
SER( 15 A -74 )
HIS( 15 A -73 )
ALA( 15 A -72 )
ILE( 15 A -71 )
ASP( 15 A -70 )
ASP( 15 A -69 )
LEU( 15 A -68 )
GLY( 15 A -67 )
ILE( 15 A -66 )
ASP( 15 A -65 )
SER( 15 A -64 )
LEU( 15 A -63 )
ASP( 15 A -62 )
PHE( 15 A -61 )
LEU( 15 A -60 )
ASP( 15 A -59 )
ILE( 15 A -58 )
ALA( 15 A -57 )
PHE( 15 A -56 )
ALA( 15 A -55 )
ILE( 15 A -54 )
ASP( 15 A -53 )
LYS( 15 A -52 )
ALA( 15 A -51 )
PHE( 15 A -50 )
GLY( 15 A -49 )
ILE( 15 A -48 )
LYS( 15 A -47 )
LEU( 15 A -46 )
PRO( 15 A -45 )
LEU( 15 A -44 )
GLU( 15 A -43 )
LYS( 15 A -42 )
TRP( 15 A -41 )
THR( 15 A -40 )
GLN( 15 A -39 )
GLU( 15 A -38 )
VAL( 15 A -37 )
ASN( 15 A -36 )
ASP( 15 A -35 )
GLY( 15 A -34 )
LYS( 15 A -33 )
ALA( 15 A -32 )
THR( 15 A -31 )
THR( 15 A -30 )
GLU( 15 A -29 )
GLN( 15 A -28 )
TYR( 15 A -27 )
PHE( 15 A -26 )
VAL( 15 A -25 )
LEU( 15 A -24 )
LYS( 15 A -23 )
ASN( 15 A -22 )
LEU( 15 A -21 )
ALA( 15 A -20 )
ALA( 15 A -19 )
ARG( 15 A -18 )
ILE( 15 A -17 )
ASP( 15 A -16 )
GLU( 15 A -15 )
LEU( 15 A -14 )
VAL( 15 A -13 )
ALA( 15 A -12 )
ALA( 15 A -11 )
LYS( 15 A -10 )
GLY( 15 A -9 )
ALA( 15 A -8 )
LEU( 15 A -7 )
GLU( 15 A -6 )
HIS( 15 A -5 )
HIS( 15 A -4 )
HIS( 15 A -3 )
HIS( 15 A -2 )
HIS( 15 A -1 )
HIS( 15 A 0 )
MET( 16 A-100 )
THR( 16 A -99 )
SER( 16 A -98 )
THR( 16 A -97 )
PHE( 16 A -96 )
ASP( 16 A -95 )
ARG( 16 A -94 )
VAL( 16 A -93 )
ALA( 16 A -92 )
THR( 16 A -91 )
ILE( 16 A -90 )
ILE( 16 A -89 )
ALA( 16 A -88 )
GLU( 16 A -87 )
THR( 16 A -86 )
CYS( 16 A -85 )
ASP( 16 A -84 )
ILE( 16 A -83 )
PRO( 16 A -82 )
ARG( 16 A -81 )
GLU( 16 A -80 )
THR( 16 A -79 )
ILE( 16 A -78 )
THR( 16 A -77 )
PRO( 16 A -76 )
GLU( 16 A -75 )
SER( 16 A -74 )
HIS( 16 A -73 )
ALA( 16 A -72 )
ILE( 16 A -71 )
ASP( 16 A -70 )
ASP( 16 A -69 )
LEU( 16 A -68 )
GLY( 16 A -67 )
ILE( 16 A -66 )
ASP( 16 A -65 )
SER( 16 A -64 )
LEU( 16 A -63 )
ASP( 16 A -62 )
PHE( 16 A -61 )
LEU( 16 A -60 )
ASP( 16 A -59 )
ILE( 16 A -58 )
ALA( 16 A -57 )
PHE( 16 A -56 )
ALA( 16 A -55 )
ILE( 16 A -54 )
ASP( 16 A -53 )
LYS( 16 A -52 )
ALA( 16 A -51 )
PHE( 16 A -50 )
GLY( 16 A -49 )
ILE( 16 A -48 )
LYS( 16 A -47 )
LEU( 16 A -46 )
PRO( 16 A -45 )
LEU( 16 A -44 )
GLU( 16 A -43 )
LYS( 16 A -42 )
TRP( 16 A -41 )
THR( 16 A -40 )
GLN( 16 A -39 )
GLU( 16 A -38 )
VAL( 16 A -37 )
ASN( 16 A -36 )
ASP( 16 A -35 )
GLY( 16 A -34 )
LYS( 16 A -33 )
ALA( 16 A -32 )
THR( 16 A -31 )
THR( 16 A -30 )
GLU( 16 A -29 )
GLN( 16 A -28 )
TYR( 16 A -27 )
PHE( 16 A -26 )
VAL( 16 A -25 )
LEU( 16 A -24 )
LYS( 16 A -23 )
ASN( 16 A -22 )
LEU( 16 A -21 )
ALA( 16 A -20 )
ALA( 16 A -19 )
ARG( 16 A -18 )
ILE( 16 A -17 )
ASP( 16 A -16 )
GLU( 16 A -15 )
LEU( 16 A -14 )
VAL( 16 A -13 )
ALA( 16 A -12 )
ALA( 16 A -11 )
LYS( 16 A -10 )
GLY( 16 A -9 )
ALA( 16 A -8 )
LEU( 16 A -7 )
GLU( 16 A -6 )
HIS( 16 A -5 )
HIS( 16 A -4 )
HIS( 16 A -3 )
HIS( 16 A -2 )
HIS( 16 A -1 )
HIS( 16 A 0 )
MET( 17 A-100 )
THR( 17 A -99 )
SER( 17 A -98 )
THR( 17 A -97 )
PHE( 17 A -96 )
ASP( 17 A -95 )
ARG( 17 A -94 )
VAL( 17 A -93 )
ALA( 17 A -92 )
THR( 17 A -91 )
ILE( 17 A -90 )
ILE( 17 A -89 )
ALA( 17 A -88 )
GLU( 17 A -87 )
THR( 17 A -86 )
CYS( 17 A -85 )
ASP( 17 A -84 )
ILE( 17 A -83 )
PRO( 17 A -82 )
ARG( 17 A -81 )
GLU( 17 A -80 )
THR( 17 A -79 )
ILE( 17 A -78 )
THR( 17 A -77 )
PRO( 17 A -76 )
GLU( 17 A -75 )
SER( 17 A -74 )
HIS( 17 A -73 )
ALA( 17 A -72 )
ILE( 17 A -71 )
ASP( 17 A -70 )
ASP( 17 A -69 )
LEU( 17 A -68 )
GLY( 17 A -67 )
ILE( 17 A -66 )
ASP( 17 A -65 )
SER( 17 A -64 )
LEU( 17 A -63 )
ASP( 17 A -62 )
PHE( 17 A -61 )
LEU( 17 A -60 )
ASP( 17 A -59 )
ILE( 17 A -58 )
ALA( 17 A -57 )
PHE( 17 A -56 )
ALA( 17 A -55 )
ILE( 17 A -54 )
ASP( 17 A -53 )
LYS( 17 A -52 )
ALA( 17 A -51 )
PHE( 17 A -50 )
GLY( 17 A -49 )
ILE( 17 A -48 )
LYS( 17 A -47 )
LEU( 17 A -46 )
PRO( 17 A -45 )
LEU( 17 A -44 )
GLU( 17 A -43 )
LYS( 17 A -42 )
TRP( 17 A -41 )
THR( 17 A -40 )
GLN( 17 A -39 )
GLU( 17 A -38 )
VAL( 17 A -37 )
ASN( 17 A -36 )
ASP( 17 A -35 )
GLY( 17 A -34 )
LYS( 17 A -33 )
ALA( 17 A -32 )
THR( 17 A -31 )
THR( 17 A -30 )
GLU( 17 A -29 )
GLN( 17 A -28 )
TYR( 17 A -27 )
PHE( 17 A -26 )
VAL( 17 A -25 )
LEU( 17 A -24 )
LYS( 17 A -23 )
ASN( 17 A -22 )
LEU( 17 A -21 )
ALA( 17 A -20 )
ALA( 17 A -19 )
ARG( 17 A -18 )
ILE( 17 A -17 )
ASP( 17 A -16 )
GLU( 17 A -15 )
LEU( 17 A -14 )
VAL( 17 A -13 )
ALA( 17 A -12 )
ALA( 17 A -11 )
LYS( 17 A -10 )
GLY( 17 A -9 )
ALA( 17 A -8 )
LEU( 17 A -7 )
GLU( 17 A -6 )
HIS( 17 A -5 )
HIS( 17 A -4 )
HIS( 17 A -3 )
HIS( 17 A -2 )
HIS( 17 A -1 )
HIS( 17 A 0 )
MET( 18 A-100 )
THR( 18 A -99 )
SER( 18 A -98 )
THR( 18 A -97 )
PHE( 18 A -96 )
ASP( 18 A -95 )
ARG( 18 A -94 )
VAL( 18 A -93 )
ALA( 18 A -92 )
THR( 18 A -91 )
ILE( 18 A -90 )
ILE( 18 A -89 )
ALA( 18 A -88 )
GLU( 18 A -87 )
THR( 18 A -86 )
CYS( 18 A -85 )
ASP( 18 A -84 )
ILE( 18 A -83 )
PRO( 18 A -82 )
ARG( 18 A -81 )
GLU( 18 A -80 )
THR( 18 A -79 )
ILE( 18 A -78 )
THR( 18 A -77 )
PRO( 18 A -76 )
GLU( 18 A -75 )
SER( 18 A -74 )
HIS( 18 A -73 )
ALA( 18 A -72 )
ILE( 18 A -71 )
ASP( 18 A -70 )
ASP( 18 A -69 )
LEU( 18 A -68 )
GLY( 18 A -67 )
ILE( 18 A -66 )
ASP( 18 A -65 )
SER( 18 A -64 )
LEU( 18 A -63 )
ASP( 18 A -62 )
PHE( 18 A -61 )
LEU( 18 A -60 )
ASP( 18 A -59 )
ILE( 18 A -58 )
ALA( 18 A -57 )
PHE( 18 A -56 )
ALA( 18 A -55 )
ILE( 18 A -54 )
ASP( 18 A -53 )
LYS( 18 A -52 )
ALA( 18 A -51 )
PHE( 18 A -50 )
GLY( 18 A -49 )
ILE( 18 A -48 )
LYS( 18 A -47 )
LEU( 18 A -46 )
PRO( 18 A -45 )
LEU( 18 A -44 )
GLU( 18 A -43 )
LYS( 18 A -42 )
TRP( 18 A -41 )
THR( 18 A -40 )
GLN( 18 A -39 )
GLU( 18 A -38 )
VAL( 18 A -37 )
ASN( 18 A -36 )
ASP( 18 A -35 )
GLY( 18 A -34 )
LYS( 18 A -33 )
ALA( 18 A -32 )
THR( 18 A -31 )
THR( 18 A -30 )
GLU( 18 A -29 )
GLN( 18 A -28 )
TYR( 18 A -27 )
PHE( 18 A -26 )
VAL( 18 A -25 )
LEU( 18 A -24 )
LYS( 18 A -23 )
ASN( 18 A -22 )
LEU( 18 A -21 )
ALA( 18 A -20 )
ALA( 18 A -19 )
ARG( 18 A -18 )
ILE( 18 A -17 )
ASP( 18 A -16 )
GLU( 18 A -15 )
LEU( 18 A -14 )
VAL( 18 A -13 )
ALA( 18 A -12 )
ALA( 18 A -11 )
LYS( 18 A -10 )
GLY( 18 A -9 )
ALA( 18 A -8 )
LEU( 18 A -7 )
GLU( 18 A -6 )
HIS( 18 A -5 )
HIS( 18 A -4 )
HIS( 18 A -3 )
HIS( 18 A -2 )
HIS( 18 A -1 )
HIS( 18 A 0 )
MET( 19 A-100 )
THR( 19 A -99 )
SER( 19 A -98 )
THR( 19 A -97 )
PHE( 19 A -96 )
ASP( 19 A -95 )
ARG( 19 A -94 )
VAL( 19 A -93 )
ALA( 19 A -92 )
THR( 19 A -91 )
ILE( 19 A -90 )
ILE( 19 A -89 )
ALA( 19 A -88 )
GLU( 19 A -87 )
THR( 19 A -86 )
CYS( 19 A -85 )
ASP( 19 A -84 )
ILE( 19 A -83 )
PRO( 19 A -82 )
ARG( 19 A -81 )
GLU( 19 A -80 )
THR( 19 A -79 )
ILE( 19 A -78 )
THR( 19 A -77 )
PRO( 19 A -76 )
GLU( 19 A -75 )
SER( 19 A -74 )
HIS( 19 A -73 )
ALA( 19 A -72 )
ILE( 19 A -71 )
ASP( 19 A -70 )
ASP( 19 A -69 )
LEU( 19 A -68 )
GLY( 19 A -67 )
ILE( 19 A -66 )
ASP( 19 A -65 )
SER( 19 A -64 )
LEU( 19 A -63 )
ASP( 19 A -62 )
PHE( 19 A -61 )
LEU( 19 A -60 )
ASP( 19 A -59 )
ILE( 19 A -58 )
ALA( 19 A -57 )
PHE( 19 A -56 )
ALA( 19 A -55 )
ILE( 19 A -54 )
ASP( 19 A -53 )
LYS( 19 A -52 )
ALA( 19 A -51 )
PHE( 19 A -50 )
GLY( 19 A -49 )
ILE( 19 A -48 )
LYS( 19 A -47 )
LEU( 19 A -46 )
PRO( 19 A -45 )
LEU( 19 A -44 )
GLU( 19 A -43 )
LYS( 19 A -42 )
TRP( 19 A -41 )
THR( 19 A -40 )
GLN( 19 A -39 )
GLU( 19 A -38 )
VAL( 19 A -37 )
ASN( 19 A -36 )
ASP( 19 A -35 )
GLY( 19 A -34 )
LYS( 19 A -33 )
ALA( 19 A -32 )
THR( 19 A -31 )
THR( 19 A -30 )
GLU( 19 A -29 )
GLN( 19 A -28 )
TYR( 19 A -27 )
PHE( 19 A -26 )
VAL( 19 A -25 )
LEU( 19 A -24 )
LYS( 19 A -23 )
ASN( 19 A -22 )
LEU( 19 A -21 )
ALA( 19 A -20 )
ALA( 19 A -19 )
ARG( 19 A -18 )
ILE( 19 A -17 )
ASP( 19 A -16 )
GLU( 19 A -15 )
LEU( 19 A -14 )
VAL( 19 A -13 )
ALA( 19 A -12 )
ALA( 19 A -11 )
LYS( 19 A -10 )
GLY( 19 A -9 )
ALA( 19 A -8 )
LEU( 19 A -7 )
GLU( 19 A -6 )
HIS( 19 A -5 )
HIS( 19 A -4 )
HIS( 19 A -3 )
HIS( 19 A -2 )
HIS( 19 A -1 )
HIS( 19 A 0 )
MET( 20 A-100 )
THR( 20 A -99 )
SER( 20 A -98 )
THR( 20 A -97 )
PHE( 20 A -96 )
ASP( 20 A -95 )
ARG( 20 A -94 )
VAL( 20 A -93 )
ALA( 20 A -92 )
THR( 20 A -91 )
ILE( 20 A -90 )
ILE( 20 A -89 )
ALA( 20 A -88 )
GLU( 20 A -87 )
THR( 20 A -86 )
CYS( 20 A -85 )
ASP( 20 A -84 )
ILE( 20 A -83 )
PRO( 20 A -82 )
ARG( 20 A -81 )
GLU( 20 A -80 )
THR( 20 A -79 )
ILE( 20 A -78 )
THR( 20 A -77 )
PRO( 20 A -76 )
GLU( 20 A -75 )
SER( 20 A -74 )
HIS( 20 A -73 )
ALA( 20 A -72 )
ILE( 20 A -71 )
ASP( 20 A -70 )
ASP( 20 A -69 )
LEU( 20 A -68 )
GLY( 20 A -67 )
ILE( 20 A -66 )
ASP( 20 A -65 )
SER( 20 A -64 )
LEU( 20 A -63 )
ASP( 20 A -62 )
PHE( 20 A -61 )
LEU( 20 A -60 )
ASP( 20 A -59 )
ILE( 20 A -58 )
ALA( 20 A -57 )
PHE( 20 A -56 )
ALA( 20 A -55 )
ILE( 20 A -54 )
ASP( 20 A -53 )
LYS( 20 A -52 )
ALA( 20 A -51 )
PHE( 20 A -50 )
GLY( 20 A -49 )
ILE( 20 A -48 )
LYS( 20 A -47 )
LEU( 20 A -46 )
PRO( 20 A -45 )
LEU( 20 A -44 )
GLU( 20 A -43 )
LYS( 20 A -42 )
TRP( 20 A -41 )
THR( 20 A -40 )
GLN( 20 A -39 )
GLU( 20 A -38 )
VAL( 20 A -37 )
ASN( 20 A -36 )
ASP( 20 A -35 )
GLY( 20 A -34 )
LYS( 20 A -33 )
ALA( 20 A -32 )
THR( 20 A -31 )
THR( 20 A -30 )
GLU( 20 A -29 )
GLN( 20 A -28 )
TYR( 20 A -27 )
PHE( 20 A -26 )
VAL( 20 A -25 )
LEU( 20 A -24 )
LYS( 20 A -23 )
ASN( 20 A -22 )
LEU( 20 A -21 )
ALA( 20 A -20 )
ALA( 20 A -19 )
ARG( 20 A -18 )
ILE( 20 A -17 )
ASP( 20 A -16 )
GLU( 20 A -15 )
LEU( 20 A -14 )
VAL( 20 A -13 )
ALA( 20 A -12 )
ALA( 20 A -11 )
LYS( 20 A -10 )
GLY( 20 A -9 )
ALA( 20 A -8 )
LEU( 20 A -7 )
GLU( 20 A -6 )
HIS( 20 A -5 )
HIS( 20 A -4 )
HIS( 20 A -3 )
HIS( 20 A -2 )
HIS( 20 A -1 )
HIS( 20 A 0 )
PDB Chain_ID: A
1 15
SEQRES: MET THR SER THR PHE ASP ARG VAL ALA THR ILE ILE ALA GLU THR
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
16 30
SEQRES: CYS ASP ILE PRO ARG GLU THR ILE THR PRO GLU SER HIS ALA ILE
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
31 45
SEQRES: ASP ASP LEU GLY ILE ASP SER LEU ASP PHE LEU ASP ILE ALA PHE
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
46 60
SEQRES: ALA ILE ASP LYS ALA PHE GLY ILE LYS LEU PRO LEU GLU LYS TRP
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
61 75
SEQRES: THR GLN GLU VAL ASN ASP GLY LYS ALA THR THR GLU GLN TYR PHE
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
76 90
SEQRES: VAL LEU LYS ASN LEU ALA ALA ARG ILE ASP GLU LEU VAL ALA ALA
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
91 105
SEQRES: LYS GLY ALA LEU GLU HIS HIS HIS HIS HIS HIS MET THR SER THR
COORDS: ... ... ... ... ... ... ... ... ... ... ... MET THR SER THR
1 4
106 120
SEQRES: PHE ASP ARG VAL ALA THR ILE ILE ALA GLU THR CYS ASP ILE PRO
COORDS: PHE ASP ARG VAL ALA THR ILE ILE ALA GLU THR CYS ASP ILE PRO
5 19
121 135
SEQRES: ARG GLU THR ILE THR PRO GLU SER HIS ALA ILE ASP ASP LEU GLY
COORDS: ARG GLU THR ILE THR PRO GLU SER HIS ALA ILE ASP ASP LEU GLY
20 34
136 150
SEQRES: ILE ASP SER LEU ASP PHE LEU ASP ILE ALA PHE ALA ILE ASP LYS
COORDS: ILE ASP SER LEU ASP PHE LEU ASP ILE ALA PHE ALA ILE ASP LYS
35 49
151 165
SEQRES: ALA PHE GLY ILE LYS LEU PRO LEU GLU LYS TRP THR GLN GLU VAL
COORDS: ALA PHE GLY ILE LYS LEU PRO LEU GLU LYS TRP THR GLN GLU VAL
50 64
166 180
SEQRES: ASN ASP GLY LYS ALA THR THR GLU GLN TYR PHE VAL LEU LYS ASN
COORDS: ASN ASP GLY LYS ALA THR THR GLU GLN TYR PHE VAL LEU LYS ASN
65 79
181 195
SEQRES: LEU ALA ALA ARG ILE ASP GLU LEU VAL ALA ALA LYS GLY ALA LEU
COORDS: LEU ALA ALA ARG ILE ASP GLU LEU VAL ALA ALA LYS GLY ALA LEU
80 94
196 202
SEQRES: GLU HIS HIS HIS HIS HIS HIS
COORDS: GLU HIS HIS HIS HIS HIS HIS
95 101
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
ASP( 1 A 6) HD2
GLU( 1 A 14) HE2
ASP( 1 A 17) HD2
GLU( 1 A 21) HE2
GLU( 1 A 26) HE2
HIS( 1 A 28) HD1
ASP( 1 A 31) HD2
ASP( 1 A 32) HD2
ASP( 1 A 36) HD2
ASP( 1 A 39) HD2
ASP( 1 A 42) HD2
ASP( 1 A 48) HD2
GLU( 1 A 58) HE2
GLU( 1 A 63) HE2
ASP( 1 A 66) HD2
GLU( 1 A 72) HE2
ASP( 1 A 85) HD2
GLU( 1 A 86) HE2
GLU( 1 A 95) HE2
HIS( 1 A 96) HE2
HIS( 1 A 97) HE2
HIS( 1 A 98) HD1
HIS( 1 A 99) HE2
HIS( 1 A 100) HE2
HIS( 1 A 101) HE2
ASP( 2 A 6) HD2
GLU( 2 A 14) HE2
ASP( 2 A 17) HD2
GLU( 2 A 21) HE2
GLU( 2 A 26) HE2
HIS( 2 A 28) HD1
ASP( 2 A 31) HD2
ASP( 2 A 32) HD2
ASP( 2 A 36) HD2
ASP( 2 A 39) HD2
ASP( 2 A 42) HD2
ASP( 2 A 48) HD2
GLU( 2 A 58) HE2
GLU( 2 A 63) HE2
ASP( 2 A 66) HD2
GLU( 2 A 72) HE2
ASP( 2 A 85) HD2
GLU( 2 A 86) HE2
GLU( 2 A 95) HE2
HIS( 2 A 96) HD1
HIS( 2 A 97) HE2
HIS( 2 A 98) HE2
HIS( 2 A 99) HD1
HIS( 2 A 100) HD1
HIS( 2 A 101) HE2
ASP( 3 A 6) HD2
GLU( 3 A 14) HE2
ASP( 3 A 17) HD2
GLU( 3 A 21) HE2
GLU( 3 A 26) HE2
HIS( 3 A 28) HD1
ASP( 3 A 31) HD2
ASP( 3 A 32) HD2
ASP( 3 A 36) HD2
ASP( 3 A 39) HD2
ASP( 3 A 42) HD2
ASP( 3 A 48) HD2
GLU( 3 A 58) HE2
GLU( 3 A 63) HE2
ASP( 3 A 66) HD2
GLU( 3 A 72) HE2
ASP( 3 A 85) HD2
GLU( 3 A 86) HE2
GLU( 3 A 95) HE2
HIS( 3 A 96) HE2
HIS( 3 A 97) HD1
HIS( 3 A 98) HE2
HIS( 3 A 99) HD1
HIS( 3 A 100) HD1
HIS( 3 A 101) HE2
ASP( 4 A 6) HD2
GLU( 4 A 14) HE2
ASP( 4 A 17) HD2
GLU( 4 A 21) HE2
GLU( 4 A 26) HE2
HIS( 4 A 28) HD1
ASP( 4 A 31) HD2
ASP( 4 A 32) HD2
ASP( 4 A 36) HD2
ASP( 4 A 39) HD2
ASP( 4 A 42) HD2
ASP( 4 A 48) HD2
GLU( 4 A 58) HE2
GLU( 4 A 63) HE2
ASP( 4 A 66) HD2
GLU( 4 A 72) HE2
ASP( 4 A 85) HD2
GLU( 4 A 86) HE2
GLU( 4 A 95) HE2
HIS( 4 A 96) HE2
HIS( 4 A 97) HD1
HIS( 4 A 98) HD1
HIS( 4 A 99) HE2
HIS( 4 A 100) HE2
HIS( 4 A 101) HD1
ASP( 5 A 6) HD2
GLU( 5 A 14) HE2
ASP( 5 A 17) HD2
GLU( 5 A 21) HE2
GLU( 5 A 26) HE2
HIS( 5 A 28) HD1
ASP( 5 A 31) HD2
ASP( 5 A 32) HD2
ASP( 5 A 36) HD2
ASP( 5 A 39) HD2
ASP( 5 A 42) HD2
ASP( 5 A 48) HD2
GLU( 5 A 58) HE2
GLU( 5 A 63) HE2
ASP( 5 A 66) HD2
GLU( 5 A 72) HE2
ASP( 5 A 85) HD2
GLU( 5 A 86) HE2
GLU( 5 A 95) HE2
HIS( 5 A 96) HE2
HIS( 5 A 97) HD1
HIS( 5 A 98) HE2
HIS( 5 A 99) HE2
HIS( 5 A 100) HD1
HIS( 5 A 101) HD1
ASP( 6 A 6) HD2
GLU( 6 A 14) HE2
ASP( 6 A 17) HD2
GLU( 6 A 21) HE2
GLU( 6 A 26) HE2
HIS( 6 A 28) HD1
ASP( 6 A 31) HD2
ASP( 6 A 32) HD2
ASP( 6 A 36) HD2
ASP( 6 A 39) HD2
ASP( 6 A 42) HD2
ASP( 6 A 48) HD2
GLU( 6 A 58) HE2
GLU( 6 A 63) HE2
ASP( 6 A 66) HD2
GLU( 6 A 72) HE2
ASP( 6 A 85) HD2
GLU( 6 A 86) HE2
GLU( 6 A 95) HE2
HIS( 6 A 96) HD1
HIS( 6 A 97) HD1
HIS( 6 A 98) HE2
HIS( 6 A 99) HE2
HIS( 6 A 100) HE2
HIS( 6 A 101) HD1
ASP( 7 A 6) HD2
GLU( 7 A 14) HE2
ASP( 7 A 17) HD2
GLU( 7 A 21) HE2
GLU( 7 A 26) HE2
HIS( 7 A 28) HD1
ASP( 7 A 31) HD2
ASP( 7 A 32) HD2
ASP( 7 A 36) HD2
ASP( 7 A 39) HD2
ASP( 7 A 42) HD2
ASP( 7 A 48) HD2
GLU( 7 A 58) HE2
GLU( 7 A 63) HE2
ASP( 7 A 66) HD2
GLU( 7 A 72) HE2
ASP( 7 A 85) HD2
GLU( 7 A 86) HE2
GLU( 7 A 95) HE2
HIS( 7 A 96) HD1
HIS( 7 A 97) HD1
HIS( 7 A 98) HD1
HIS( 7 A 99) HE2
HIS( 7 A 100) HE2
HIS( 7 A 101) HE2
ASP( 8 A 6) HD2
GLU( 8 A 14) HE2
ASP( 8 A 17) HD2
GLU( 8 A 21) HE2
GLU( 8 A 26) HE2
HIS( 8 A 28) HD1
ASP( 8 A 31) HD2
ASP( 8 A 32) HD2
ASP( 8 A 36) HD2
ASP( 8 A 39) HD2
ASP( 8 A 42) HD2
ASP( 8 A 48) HD2
GLU( 8 A 58) HE2
GLU( 8 A 63) HE2
ASP( 8 A 66) HD2
GLU( 8 A 72) HE2
ASP( 8 A 85) HD2
GLU( 8 A 86) HE2
GLU( 8 A 95) HE2
HIS( 8 A 96) HE2
HIS( 8 A 97) HD1
HIS( 8 A 98) HE2
HIS( 8 A 99) HD1
HIS( 8 A 100) HD1
HIS( 8 A 101) HE2
ASP( 9 A 6) HD2
GLU( 9 A 14) HE2
ASP( 9 A 17) HD2
GLU( 9 A 21) HE2
GLU( 9 A 26) HE2
HIS( 9 A 28) HD1
ASP( 9 A 31) HD2
ASP( 9 A 32) HD2
ASP( 9 A 36) HD2
ASP( 9 A 39) HD2
ASP( 9 A 42) HD2
ASP( 9 A 48) HD2
GLU( 9 A 58) HE2
GLU( 9 A 63) HE2
ASP( 9 A 66) HD2
GLU( 9 A 72) HE2
ASP( 9 A 85) HD2
GLU( 9 A 86) HE2
GLU( 9 A 95) HE2
HIS( 9 A 96) HE2
HIS( 9 A 97) HE2
HIS( 9 A 98) HD1
HIS( 9 A 99) HD1
HIS( 9 A 100) HE2
HIS( 9 A 101) HD1
ASP( 10 A 6) HD2
GLU( 10 A 14) HE2
ASP( 10 A 17) HD2
GLU( 10 A 21) HE2
GLU( 10 A 26) HE2
HIS( 10 A 28) HD1
ASP( 10 A 31) HD2
ASP( 10 A 32) HD2
ASP( 10 A 36) HD2
ASP( 10 A 39) HD2
ASP( 10 A 42) HD2
ASP( 10 A 48) HD2
GLU( 10 A 58) HE2
GLU( 10 A 63) HE2
ASP( 10 A 66) HD2
GLU( 10 A 72) HE2
ASP( 10 A 85) HD2
GLU( 10 A 86) HE2
GLU( 10 A 95) HE2
HIS( 10 A 96) HD1
HIS( 10 A 97) HE2
HIS( 10 A 98) HE2
HIS( 10 A 99) HE2
HIS( 10 A 100) HE2
HIS( 10 A 101) HE2
ASP( 11 A 6) HD2
GLU( 11 A 14) HE2
ASP( 11 A 17) HD2
GLU( 11 A 21) HE2
GLU( 11 A 26) HE2
HIS( 11 A 28) HD1
ASP( 11 A 31) HD2
ASP( 11 A 32) HD2
ASP( 11 A 36) HD2
ASP( 11 A 39) HD2
ASP( 11 A 42) HD2
ASP( 11 A 48) HD2
GLU( 11 A 58) HE2
GLU( 11 A 63) HE2
ASP( 11 A 66) HD2
GLU( 11 A 72) HE2
ASP( 11 A 85) HD2
GLU( 11 A 86) HE2
GLU( 11 A 95) HE2
HIS( 11 A 96) HD1
HIS( 11 A 97) HD1
HIS( 11 A 98) HE2
HIS( 11 A 99) HD1
HIS( 11 A 100) HD1
HIS( 11 A 101) HE2
ASP( 12 A 6) HD2
GLU( 12 A 14) HE2
ASP( 12 A 17) HD2
GLU( 12 A 21) HE2
GLU( 12 A 26) HE2
HIS( 12 A 28) HD1
ASP( 12 A 31) HD2
ASP( 12 A 32) HD2
ASP( 12 A 36) HD2
ASP( 12 A 39) HD2
ASP( 12 A 42) HD2
ASP( 12 A 48) HD2
GLU( 12 A 58) HE2
GLU( 12 A 63) HE2
ASP( 12 A 66) HD2
GLU( 12 A 72) HE2
ASP( 12 A 85) HD2
GLU( 12 A 86) HE2
GLU( 12 A 95) HE2
HIS( 12 A 96) HD1
HIS( 12 A 97) HE2
HIS( 12 A 98) HE2
HIS( 12 A 99) HD1
HIS( 12 A 100) HE2
HIS( 12 A 101) HE2
ASP( 13 A 6) HD2
GLU( 13 A 14) HE2
ASP( 13 A 17) HD2
GLU( 13 A 21) HE2
GLU( 13 A 26) HE2
HIS( 13 A 28) HD1
ASP( 13 A 31) HD2
ASP( 13 A 32) HD2
ASP( 13 A 36) HD2
ASP( 13 A 39) HD2
ASP( 13 A 42) HD2
ASP( 13 A 48) HD2
GLU( 13 A 58) HE2
GLU( 13 A 63) HE2
ASP( 13 A 66) HD2
GLU( 13 A 72) HE2
ASP( 13 A 85) HD2
GLU( 13 A 86) HE2
GLU( 13 A 95) HE2
HIS( 13 A 96) HE2
HIS( 13 A 97) HD1
HIS( 13 A 98) HE2
HIS( 13 A 99) HE2
HIS( 13 A 100) HD1
HIS( 13 A 101) HE2
ASP( 14 A 6) HD2
GLU( 14 A 14) HE2
ASP( 14 A 17) HD2
GLU( 14 A 21) HE2
GLU( 14 A 26) HE2
HIS( 14 A 28) HD1
ASP( 14 A 31) HD2
ASP( 14 A 32) HD2
ASP( 14 A 36) HD2
ASP( 14 A 39) HD2
ASP( 14 A 42) HD2
ASP( 14 A 48) HD2
GLU( 14 A 58) HE2
GLU( 14 A 63) HE2
ASP( 14 A 66) HD2
GLU( 14 A 72) HE2
ASP( 14 A 85) HD2
GLU( 14 A 86) HE2
GLU( 14 A 95) HE2
HIS( 14 A 96) HD1
HIS( 14 A 97) HE2
HIS( 14 A 98) HE2
HIS( 14 A 99) HD1
HIS( 14 A 100) HD1
HIS( 14 A 101) HD1
ASP( 15 A 6) HD2
GLU( 15 A 14) HE2
ASP( 15 A 17) HD2
GLU( 15 A 21) HE2
GLU( 15 A 26) HE2
HIS( 15 A 28) HD1
ASP( 15 A 31) HD2
ASP( 15 A 32) HD2
ASP( 15 A 36) HD2
ASP( 15 A 39) HD2
ASP( 15 A 42) HD2
ASP( 15 A 48) HD2
GLU( 15 A 58) HE2
GLU( 15 A 63) HE2
ASP( 15 A 66) HD2
GLU( 15 A 72) HE2
ASP( 15 A 85) HD2
GLU( 15 A 86) HE2
GLU( 15 A 95) HE2
HIS( 15 A 96) HE2
HIS( 15 A 97) HD1
HIS( 15 A 98) HE2
HIS( 15 A 99) HD1
HIS( 15 A 100) HE2
HIS( 15 A 101) HE2
ASP( 16 A 6) HD2
GLU( 16 A 14) HE2
ASP( 16 A 17) HD2
GLU( 16 A 21) HE2
GLU( 16 A 26) HE2
HIS( 16 A 28) HD1
ASP( 16 A 31) HD2
ASP( 16 A 32) HD2
ASP( 16 A 36) HD2
ASP( 16 A 39) HD2
ASP( 16 A 42) HD2
ASP( 16 A 48) HD2
GLU( 16 A 58) HE2
GLU( 16 A 63) HE2
ASP( 16 A 66) HD2
GLU( 16 A 72) HE2
ASP( 16 A 85) HD2
GLU( 16 A 86) HE2
GLU( 16 A 95) HE2
HIS( 16 A 96) HE2
HIS( 16 A 97) HE2
HIS( 16 A 98) HD1
HIS( 16 A 99) HE2
HIS( 16 A 100) HE2
HIS( 16 A 101) HE2
ASP( 17 A 6) HD2
GLU( 17 A 14) HE2
ASP( 17 A 17) HD2
GLU( 17 A 21) HE2
GLU( 17 A 26) HE2
HIS( 17 A 28) HD1
ASP( 17 A 31) HD2
ASP( 17 A 32) HD2
ASP( 17 A 36) HD2
ASP( 17 A 39) HD2
ASP( 17 A 42) HD2
ASP( 17 A 48) HD2
GLU( 17 A 58) HE2
GLU( 17 A 63) HE2
ASP( 17 A 66) HD2
GLU( 17 A 72) HE2
ASP( 17 A 85) HD2
GLU( 17 A 86) HE2
GLU( 17 A 95) HE2
HIS( 17 A 96) HD1
HIS( 17 A 97) HE2
HIS( 17 A 98) HD1
HIS( 17 A 99) HD1
HIS( 17 A 100) HE2
HIS( 17 A 101) HE2
ASP( 18 A 6) HD2
GLU( 18 A 14) HE2
ASP( 18 A 17) HD2
GLU( 18 A 21) HE2
GLU( 18 A 26) HE2
HIS( 18 A 28) HD1
ASP( 18 A 31) HD2
ASP( 18 A 32) HD2
ASP( 18 A 36) HD2
ASP( 18 A 39) HD2
ASP( 18 A 42) HD2
ASP( 18 A 48) HD2
GLU( 18 A 58) HE2
GLU( 18 A 63) HE2
ASP( 18 A 66) HD2
GLU( 18 A 72) HE2
ASP( 18 A 85) HD2
GLU( 18 A 86) HE2
GLU( 18 A 95) HE2
HIS( 18 A 96) HD1
HIS( 18 A 97) HD1
HIS( 18 A 98) HE2
HIS( 18 A 99) HE2
HIS( 18 A 100) HE2
HIS( 18 A 101) HE2
ASP( 19 A 6) HD2
GLU( 19 A 14) HE2
ASP( 19 A 17) HD2
GLU( 19 A 21) HE2
GLU( 19 A 26) HE2
HIS( 19 A 28) HD1
ASP( 19 A 31) HD2
ASP( 19 A 32) HD2
ASP( 19 A 36) HD2
ASP( 19 A 39) HD2
ASP( 19 A 42) HD2
ASP( 19 A 48) HD2
GLU( 19 A 58) HE2
GLU( 19 A 63) HE2
ASP( 19 A 66) HD2
GLU( 19 A 72) HE2
ASP( 19 A 85) HD2
GLU( 19 A 86) HE2
GLU( 19 A 95) HE2
HIS( 19 A 96) HD1
HIS( 19 A 97) HD1
HIS( 19 A 98) HE2
HIS( 19 A 99) HD1
HIS( 19 A 100) HE2
HIS( 19 A 101) HD1
ASP( 20 A 6) HD2
GLU( 20 A 14) HE2
ASP( 20 A 17) HD2
GLU( 20 A 21) HE2
GLU( 20 A 26) HE2
HIS( 20 A 28) HD1
ASP( 20 A 31) HD2
ASP( 20 A 32) HD2
ASP( 20 A 36) HD2
ASP( 20 A 39) HD2
ASP( 20 A 42) HD2
ASP( 20 A 48) HD2
GLU( 20 A 58) HE2
GLU( 20 A 63) HE2
ASP( 20 A 66) HD2
GLU( 20 A 72) HE2
ASP( 20 A 85) HD2
GLU( 20 A 86) HE2
GLU( 20 A 95) HE2
HIS( 20 A 96) HD1
HIS( 20 A 97) HD1
HIS( 20 A 98) HE2
HIS( 20 A 99) HE2
HIS( 20 A 100) HE2
HIS( 20 A 101) HE2
==> The following residues have extra atoms:
RES MOD#C SEQ ATOMS
HIS( 1 A 101) O2
HIS( 2 A 101) O2
HIS( 3 A 101) O2
HIS( 4 A 101) O2
HIS( 5 A 101) O2
HIS( 6 A 101) O2
HIS( 7 A 101) O2
HIS( 8 A 101) O2
HIS( 9 A 101) O2
HIS( 10 A 101) O2
HIS( 11 A 101) O2
HIS( 12 A 101) O2
HIS( 13 A 101) O2
HIS( 14 A 101) O2
HIS( 15 A 101) O2
HIS( 16 A 101) O2
HIS( 17 A 101) O2
HIS( 18 A 101) O2
HIS( 19 A 101) O2
HIS( 20 A 101) O2
CHECK TERMINAL ATOMS
--------------------
Terminal atom(s) showed in middle of sequence will be deleted:
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
RPR324_R3_em_bcr3.pdb: Missing KEYWDS records
RPR324_R3_em_bcr3.pdb: Missing TITLE record