Detailed results of HR4527E_R3_em_bcr3 by PSVS
Output from PDBStat
Constraints analysis
table of NOE constraints
# -------------- SUMMARY OF RESTRAINTS ---------------
# TOTAL NUMBER OF NOE RESTRAINTS : 2481
# INTRA-RESIDUE RESTRAINTS (I=J) : 559
# SEQUENTIAL RESTRAINTS (I-J)=1 : 599
# BACKBONE-BACKBONE : 108
# BACKBONE-SIDE CHAIN : 104
# SIDE CHAIN-SIDE CHAIN : 387
# MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 469
# BACKBONE-BACKBONE : 105
# BACKBONE-SIDE CHAIN : 101
# SIDE CHAIN-SIDE CHAIN : 263
# LONG RANGE RESTRAINTS (I-J)>=5 : 854
# TOTAL HYDROGEN BOND RESTRAINTS : 0
# LONG RANGE H-BOND RESTR. (I-J)>=5 : 0
# DISULFIDE RESTRAINTS : 0
# INTRA-CHAIN RESTRAINTS : 2481
# 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
GLY 2 0 0.0 0.0 0.0 0.0 0.0
HIS 3 0 0.0 0.0 0.0 0.0 0.0
HIS 4 0 0.0 0.0 0.0 0.0 0.0
HIS 5 0 0.0 0.0 0.0 0.0 0.0
HIS 6 0 0.0 0.0 0.0 0.0 0.0
HIS 7 0 0.0 0.0 0.0 0.0 0.0
HIS 8 0 0.0 0.0 0.0 0.0 0.0
SER 9 0 0.0 0.0 0.0 0.0 0.0
HIS 10 1 5.0 2.0 3.0 0.0 0.0
MET 11 10 14.0 7.5 0.0 6.5 0.0
LEU 12 10 26.5 11.0 8.0 7.5 0.0
THR 13 2 18.5 6.5 1.5 10.5 0.0
LYS 14 13 4.0 4.0 0.0 0.0 0.0
HIS 15 1 6.5 4.5 2.0 0.0 0.0
GLY 16 0 8.0 3.0 5.0 0.0 0.0
LYS 17 23 16.0 6.5 4.5 5.0 0.0
ASN 18 5 23.5 9.5 11.0 3.0 0.0
PRO 19 0 41.5 9.0 4.5 28.0 0.0
VAL 20 5 40.0 12.0 11.5 16.5 0.0
MET 21 10 26.0 11.5 14.5 0.0 0.0
GLU 22 8 32.5 7.0 13.0 12.5 0.0
LEU 23 12 35.5 6.5 12.5 16.5 0.0
ASN 24 7 19.0 6.5 9.0 3.5 0.0
GLU 25 7 14.0 8.5 5.5 0.0 0.0
LYS 26 29 28.5 8.5 9.5 10.5 0.0
ARG 27 12 30.0 8.5 7.5 14.0 0.0
ARG 28 8 13.0 11.0 2.0 0.0 0.0
GLY 29 0 9.0 9.0 0.0 0.0 0.0
LEU 30 8 31.5 9.0 9.0 13.5 0.0
LYS 31 15 18.5 11.5 4.0 3.0 0.0
TYR 32 6 47.0 10.0 2.5 34.5 0.0
GLU 33 5 21.0 9.0 7.0 5.0 0.0
LEU 34 11 38.5 12.5 7.0 19.0 0.0
ILE 35 11 46.5 14.0 3.0 29.5 0.0
SER 36 1 19.0 9.5 3.0 6.5 0.0
GLU 37 5 15.5 7.5 3.5 4.5 0.0
THR 38 2 13.5 7.0 0.5 6.0 0.0
GLY 39 0 3.5 3.0 0.0 0.5 0.0
GLY 40 0 2.0 0.5 1.5 0.0 0.0
SER 41 0 0.0 0.0 0.0 0.0 0.0
HIS 42 1 2.5 2.5 0.0 0.0 0.0
ASP 43 0 5.5 5.0 0.5 0.0 0.0
LYS 44 29 14.0 2.5 8.5 3.0 0.0
ARG 45 4 6.5 0.0 1.0 5.5 0.0
PHE 46 2 35.0 3.0 8.0 24.0 0.0
VAL 47 4 35.0 6.5 2.0 26.5 0.0
MET 48 11 61.5 7.0 0.5 54.0 0.0
GLU 49 6 46.5 10.5 1.0 35.0 0.0
VAL 50 5 48.5 11.0 3.5 34.0 0.0
GLU 51 9 40.5 10.0 6.5 24.0 0.0
VAL 52 4 41.0 9.5 11.5 20.0 0.0
ASP 53 2 17.0 6.0 5.0 6.0 0.0
GLY 54 0 12.0 5.5 6.5 0.0 0.0
GLN 55 14 29.5 8.0 16.0 5.5 0.0
LYS 56 20 37.5 10.0 4.0 23.5 0.0
PHE 57 5 58.5 8.5 5.5 44.5 0.0
GLN 58 15 39.0 7.5 2.0 29.5 0.0
GLY 59 0 21.5 8.0 0.0 13.5 0.0
ALA 60 1 20.5 7.5 0.5 12.5 0.0
GLY 61 0 16.0 4.0 1.5 10.5 0.0
SER 62 0 4.0 1.5 1.5 1.0 0.0
ASN 63 4 20.5 3.0 14.0 3.5 0.0
LYS 64 20 27.5 6.0 2.5 19.0 0.0
LYS 65 31 20.0 10.5 8.0 1.5 0.0
VAL 66 5 34.5 10.5 19.5 4.5 0.0
ALA 67 1 31.0 5.5 9.0 16.5 0.0
LYS 68 23 47.5 4.5 9.5 33.5 0.0
ALA 69 1 25.0 6.5 9.5 9.0 0.0
TYR 70 6 38.0 8.0 18.0 12.0 0.0
ALA 71 1 39.0 6.0 10.0 23.0 0.0
ALA 72 1 30.5 3.5 9.5 17.5 0.0
LEU 73 11 37.5 6.0 20.0 11.5 0.0
ALA 74 1 24.0 7.0 12.0 5.0 0.0
ALA 75 1 27.5 7.0 11.0 9.5 0.0
LEU 76 12 44.0 8.5 18.0 17.5 0.0
GLU 77 6 19.0 7.0 11.5 0.5 0.0
LYS 78 19 30.5 14.5 7.0 9.0 0.0
LEU 79 12 44.5 21.5 6.0 17.0 0.0
PHE 80 6 42.0 14.0 12.5 15.5 0.0
PRO 81 0 14.0 9.0 5.0 0.0 0.0
ASP 82 2 7.5 7.0 0.5 0.0 0.0
THR 83 3 12.5 9.5 3.0 0.0 0.0
PRO 84 0 11.0 11.0 0.0 0.0 0.0
LEU 85 10 9.0 8.0 1.0 0.0 0.0
ALA 86 1 6.5 6.0 0.5 0.0 0.0
LEU 87 11 6.5 6.5 0.0 0.0 0.0
ASP 88 3 7.5 7.0 0.5 0.0 0.0
ALA 89 1 3.5 3.5 0.0 0.0 0.0
ASN 90 2 1.5 1.5 0.0 0.0 0.0
LYS 91 6 0.5 0.5 0.0 0.0 0.0
# TOTAL 559 1922.0 599.0 469.0 854.0 0.0
# TOTAL NUMBER OF RESTRAINTS (CHECKING): 2481.0
List of conformationally-resticting NOE constraints
assign ((resid 10 and name HA )) ( (resid 11 and name HN )) 3.54 1.74 0.35
assign ((resid 10 and name HB2 )) ( (resid 11 and name HN )) 5.65 3.85 0.56
assign ((resid 10 and name HB1 )) ( (resid 11 and name HN )) 5.65 3.85 0.56
assign ((resid 10 and name HD2 )) ( (resid 11 and name HN )) 6.02 4.22 0.60
assign ((resid 11 and name HA )) ( (resid 12 and name HN )) 3.18 1.38 0.32
assign ((resid 11 and name HB2 )) ( (resid 12 and name HN )) 5.14 3.34 0.51
assign ((resid 11 and name HB1 )) ( (resid 12 and name HN )) 5.14 3.34 0.51
assign ((resid 12 and name HB2 )) ( (resid 13 and name HN )) 4.84 3.04 0.48
assign ((resid 12 and name HB1 )) ( (resid 13 and name HN )) 4.35 2.55 0.44
assign ((resid 12 and name HG )) ( (resid 13 and name HN )) 6.20 4.40 0.62
assign ((resid 15 and name HN )) ( (resid 16 and name HN )) 5.73 3.93 0.57
assign ((resid 15 and name HB1 )) ( (resid 16 and name HN )) 5.25 3.45 0.53
assign ((resid 17 and name HN )) ( (resid 18 and name HN )) 5.38 3.58 0.54
assign ((resid 17 and name HA )) ( (resid 18 and name HN )) 3.47 1.67 0.35
assign ((resid 17 and name HG2 )) ( (resid 18 and name HN )) 5.64 3.84 0.56
assign ((resid 19 and name HG2 )) ( (resid 20 and name HN )) 2.93 1.13 0.29
assign ((resid 19 and name HG1 )) ( (resid 20 and name HN )) 3.76 1.96 0.38
assign ((resid 19 and name HD2 )) ( (resid 20 and name HN )) 4.22 2.42 0.42
assign ((resid 19 and name HD1 )) ( (resid 20 and name HN )) 4.22 2.42 0.42
assign ((resid 20 and name HB )) ( (resid 21 and name HN )) 3.16 1.36 0.32
assign ((resid 20 and name HG1* )) ( (resid 21 and name HN )) 3.38 1.58 0.34
assign ((resid 21 and name HN )) ( (resid 22 and name HN )) 3.14 1.34 0.31
assign ((resid 21 and name HB2 )) ( (resid 22 and name HN )) 3.47 1.67 0.35
assign ((resid 22 and name HN )) ( (resid 25 and name HG1 )) 6.20 4.40 0.62
assign ((resid 22 and name HB1 )) ( (resid 23 and name HN )) 3.46 1.66 0.35
assign ((resid 22 and name HB2 )) ( (resid 23 and name HN )) 3.80 2.00 0.38
assign ((resid 22 and name HG2 )) ( (resid 23 and name HN )) 4.05 2.25 0.41
assign ((resid 22 and name HG1 )) ( (resid 23 and name HN )) 4.05 2.25 0.41
assign ((resid 23 and name HN )) ( (resid 24 and name HN )) 3.27 1.47 0.33
assign ((resid 23 and name HB1 )) ( (resid 24 and name HN )) 3.55 1.75 0.35
assign ((resid 23 and name HB2 )) ( (resid 24 and name HN )) 4.20 2.40 0.42
assign ((resid 23 and name HG )) ( (resid 24 and name HN )) 4.58 2.78 0.46
assign ((resid 23 and name HD2* )) ( (resid 24 and name HN )) 4.61 2.81 0.46
assign ((resid 24 and name HB1 )) ( (resid 25 and name HN )) 3.64 1.84 0.36
assign ((resid 24 and name HB2 )) ( (resid 25 and name HN )) 3.80 2.00 0.38
assign ((resid 25 and name HN )) ( (resid 26 and name HN )) 3.07 1.27 0.31
assign ((resid 25 and name HB2 )) ( (resid 26 and name HN )) 3.82 2.02 0.38
assign ((resid 25 and name HB1 )) ( (resid 26 and name HN )) 3.93 2.13 0.39
assign ((resid 25 and name HG1 )) ( (resid 26 and name HN )) 4.81 3.01 0.48
assign ((resid 26 and name HN )) ( (resid 27 and name HN )) 2.85 1.05 0.28
assign ((resid 26 and name HB1 )) ( (resid 27 and name HN )) 3.75 1.95 0.38
assign ((resid 27 and name HN )) ( (resid 30 and name HD1* )) 3.66 1.86 0.37
assign ((resid 26 and name HG1 )) ( (resid 27 and name HN )) 4.78 2.98 0.48
assign ((resid 27 and name HN )) ( (resid 30 and name HD2* )) 4.31 2.51 0.43
assign ((resid 27 and name HN )) ( (resid 28 and name HN )) 4.43 2.63 0.44
assign ((resid 27 and name HA )) ( (resid 28 and name HN )) 2.81 1.01 0.28
assign ((resid 27 and name HB1 )) ( (resid 28 and name HN )) 3.52 1.72 0.35
assign ((resid 27 and name HG2 )) ( (resid 28 and name HN )) 5.04 3.24 0.50
assign ((resid 28 and name HN )) ( (resid 30 and name HG )) 5.04 3.24 0.50
assign ((resid 27 and name HD1 )) ( (resid 28 and name HN )) 4.50 2.70 0.45
assign ((resid 28 and name HA )) ( (resid 29 and name HN )) 2.95 1.15 0.30
assign ((resid 28 and name HD2 )) ( (resid 29 and name HN )) 5.82 4.02 0.58
assign ((resid 28 and name HD1 )) ( (resid 29 and name HN )) 5.82 4.02 0.58
assign ((resid 30 and name HA )) ( (resid 31 and name HN )) 2.65 0.85 0.27
assign ((resid 30 and name HB1 )) ( (resid 31 and name HN )) 3.00 1.20 0.30
assign ((resid 30 and name HG )) ( (resid 31 and name HN )) 5.06 3.26 0.51
assign ((resid 30 and name HD1* )) ( (resid 31 and name HN )) 4.48 2.68 0.45
assign ((resid 31 and name HN )) ( (resid 32 and name HN )) 4.13 2.33 0.41
assign ((resid 31 and name HA )) ( (resid 32 and name HN )) 2.54 0.74 0.25
assign ((resid 31 and name HB1 )) ( (resid 32 and name HN )) 4.50 2.70 0.45
assign ((resid 31 and name HG2 )) ( (resid 32 and name HN )) 4.19 2.39 0.42
assign ((resid 31 and name HG1 )) ( (resid 32 and name HN )) 3.94 2.14 0.39
assign ((resid 32 and name HA )) ( (resid 33 and name HN )) 2.75 0.95 0.28
assign ((resid 32 and name HB2 )) ( (resid 33 and name HN )) 4.68 2.88 0.47
assign ((resid 32 and name HB1 )) ( (resid 33 and name HN )) 4.27 2.47 0.43
assign ((resid 32 and name HD* )) ( (resid 33 and name HN )) 4.84 3.04 0.48
assign ((resid 33 and name HA )) ( (resid 34 and name HN )) 2.67 0.87 0.27
assign ((resid 33 and name HB2 )) ( (resid 34 and name HN )) 3.06 1.26 0.31
assign ((resid 33 and name HB1 )) ( (resid 34 and name HN )) 3.85 2.05 0.38
assign ((resid 33 and name HG1 )) ( (resid 34 and name HN )) 4.13 2.33 0.41
assign ((resid 33 and name HG2 )) ( (resid 34 and name HN )) 4.05 2.25 0.41
assign ((resid 34 and name HA )) ( (resid 35 and name HN )) 2.91 1.11 0.29
assign ((resid 34 and name HB1 )) ( (resid 35 and name HN )) 4.47 2.67 0.45
assign ((resid 34 and name HB2 )) ( (resid 35 and name HN )) 4.39 2.59 0.44
assign ((resid 34 and name HG )) ( (resid 35 and name HN )) 3.97 2.17 0.40
assign ((resid 34 and name HD2* )) ( (resid 35 and name HN )) 4.52 2.72 0.45
assign ((resid 34 and name HD1* )) ( (resid 35 and name HN )) 3.31 1.51 0.33
assign ((resid 35 and name HN )) ( (resid 35 and name HG12 )) 3.50 1.70 0.35
assign ((resid 35 and name HN )) ( (resid 36 and name HN )) 2.90 1.10 0.29
assign ((resid 35 and name HB )) ( (resid 36 and name HN )) 3.14 1.34 0.31
assign ((resid 36 and name HN )) ( (resid 47 and name HG2* )) 4.81 3.01 0.48
assign ((resid 35 and name HG11 )) ( (resid 36 and name HN )) 4.64 2.84 0.46
assign ((resid 34 and name HD1* )) ( (resid 36 and name HN )) 3.30 1.50 0.33
assign ((resid 36 and name HB2 )) ( (resid 37 and name HN )) 4.23 2.43 0.42
assign ((resid 37 and name HA )) ( (resid 38 and name HN )) 2.98 1.18 0.30
assign ((resid 37 and name HB1 )) ( (resid 38 and name HN )) 4.59 2.79 0.46
assign ((resid 37 and name HG2 )) ( (resid 38 and name HN )) 5.23 3.43 0.52
assign ((resid 37 and name HB2 )) ( (resid 38 and name HN )) 4.59 2.79 0.46
assign ((resid 37 and name HG1 )) ( (resid 38 and name HN )) 5.23 3.43 0.52
assign ((resid 43 and name HA )) ( (resid 44 and name HN )) 3.56 1.76 0.36
assign ((resid 43 and name HB2 )) ( (resid 44 and name HN )) 4.93 3.13 0.49
assign ((resid 46 and name HA )) ( (resid 47 and name HN )) 2.81 1.01 0.28
assign ((resid 46 and name HB1 )) ( (resid 47 and name HN )) 3.59 1.79 0.36
assign ((resid 46 and name HB2 )) ( (resid 47 and name HN )) 4.18 2.38 0.42
assign ((resid 46 and name HD* )) ( (resid 47 and name HN )) 4.44 2.64 0.44
assign ((resid 47 and name HN )) ( (resid 48 and name HN )) 4.49 2.69 0.45
assign ((resid 47 and name HA )) ( (resid 48 and name HN )) 2.75 0.95 0.28
assign ((resid 47 and name HG1* )) ( (resid 48 and name HN )) 3.15 1.35 0.32
assign ((resid 48 and name HA )) ( (resid 49 and name HN )) 2.91 1.11 0.29
assign ((resid 48 and name HB1 )) ( (resid 49 and name HN )) 3.40 1.60 0.34
assign ((resid 48 and name HB2 )) ( (resid 49 and name HN )) 3.63 1.83 0.36
assign ((resid 48 and name HG1 )) ( (resid 49 and name HN )) 5.14 3.34 0.51
assign ((resid 48 and name HG2 )) ( (resid 49 and name HN )) 4.99 3.19 0.50
assign ((resid 49 and name HN )) ( (resid 50 and name HN )) 4.61 2.81 0.46
assign ((resid 49 and name HA )) ( (resid 50 and name HN )) 2.78 0.98 0.28
assign ((resid 49 and name HB1 )) ( (resid 50 and name HN )) 4.23 2.43 0.42
assign ((resid 49 and name HG1 )) ( (resid 50 and name HN )) 3.30 1.50 0.33
assign ((resid 49 and name HG2 )) ( (resid 50 and name HN )) 3.46 1.66 0.35
assign ((resid 50 and name HN )) ( (resid 51 and name HN )) 4.38 2.58 0.44
assign ((resid 50 and name HA )) ( (resid 51 and name HN )) 2.70 0.90 0.27
assign ((resid 50 and name HB )) ( (resid 51 and name HN )) 4.39 2.59 0.44
assign ((resid 50 and name HG1* )) ( (resid 51 and name HN )) 4.17 2.37 0.42
assign ((resid 50 and name HG2* )) ( (resid 51 and name HN )) 2.90 1.10 0.29
assign ((resid 51 and name HA )) ( (resid 52 and name HN )) 2.74 0.94 0.27
assign ((resid 51 and name HB2 )) ( (resid 52 and name HN )) 4.54 2.74 0.45
assign ((resid 51 and name HB1 )) ( (resid 52 and name HN )) 4.54 2.74 0.45
assign ((resid 51 and name HG2 )) ( (resid 52 and name HN )) 4.23 2.43 0.42
assign ((resid 51 and name HG1 )) ( (resid 52 and name HN )) 4.23 2.43 0.42
assign ((resid 52 and name HN )) ( (resid 53 and name HN )) 4.25 2.45 0.43
assign ((resid 52 and name HA )) ( (resid 53 and name HN )) 2.54 0.74 0.25
assign ((resid 52 and name HB )) ( (resid 53 and name HN )) 4.55 2.75 0.46
assign ((resid 52 and name HG1* )) ( (resid 53 and name HN )) 3.01 1.21 0.30
assign ((resid 53 and name HA )) ( (resid 54 and name HN )) 3.19 1.39 0.32
assign ((resid 53 and name HB2 )) ( (resid 54 and name HN )) 4.72 2.92 0.47
assign ((resid 53 and name HB1 )) ( (resid 54 and name HN )) 4.72 2.92 0.47
assign ((resid 55 and name HA )) ( (resid 56 and name HN )) 2.59 0.79 0.26
assign ((resid 55 and name HB1 )) ( (resid 56 and name HN )) 3.66 1.86 0.37
assign ((resid 21 and name HB1 )) ( (resid 22 and name HN )) 4.09 2.29 0.41
assign ((resid 56 and name HN )) ( (resid 57 and name HN )) 4.62 2.82 0.46
assign ((resid 56 and name HB2 )) ( (resid 57 and name HN )) 4.36 2.56 0.44
assign ((resid 12 and name HB1 )) ( (resid 18 and name HN )) 3.93 2.13 0.39
assign ((resid 56 and name HB1 )) ( (resid 57 and name HN )) 4.34 2.54 0.43
assign ((resid 56 and name HG1 )) ( (resid 57 and name HN )) 4.60 2.80 0.46
assign ((resid 56 and name HG2 )) ( (resid 57 and name HN )) 5.26 3.46 0.53
assign ((resid 57 and name HN )) ( (resid 71 and name HB* )) 4.90 3.10 0.49
assign ((resid 57 and name HB1 )) ( (resid 58 and name HN )) 4.05 2.25 0.41
assign ((resid 57 and name HB2 )) ( (resid 58 and name HN )) 4.45 2.65 0.44
assign ((resid 57 and name HD* )) ( (resid 58 and name HN )) 4.39 2.59 0.44
assign ((resid 58 and name HA )) ( (resid 59 and name HN )) 2.77 0.97 0.28
assign ((resid 58 and name HB1 )) ( (resid 59 and name HN )) 3.33 1.53 0.33
assign ((resid 58 and name HG1 )) ( (resid 59 and name HN )) 4.37 2.57 0.44
assign ((resid 58 and name HG2 )) ( (resid 59 and name HN )) 4.21 2.41 0.42
assign ((resid 59 and name HA1 )) ( (resid 60 and name HN )) 3.16 1.36 0.32
assign ((resid 59 and name HA2 )) ( (resid 60 and name HN )) 2.86 1.06 0.29
assign ((resid 60 and name HA )) ( (resid 61 and name HN )) 3.06 1.26 0.31
assign ((resid 62 and name HN )) ( (resid 63 and name HN )) 4.00 2.20 0.40
assign ((resid 63 and name HB2 )) ( (resid 64 and name HN )) 4.41 2.61 0.44
assign ((resid 64 and name HB2 )) ( (resid 65 and name HN )) 3.67 1.87 0.37
assign ((resid 65 and name HN )) ( (resid 66 and name HN )) 2.99 1.19 0.30
assign ((resid 65 and name HB2 )) ( (resid 66 and name HN )) 3.06 1.26 0.31
assign ((resid 65 and name HB1 )) ( (resid 66 and name HN )) 3.62 1.82 0.36
assign ((resid 65 and name HG2 )) ( (resid 66 and name HN )) 4.81 3.01 0.48
assign ((resid 65 and name HG1 )) ( (resid 66 and name HN )) 4.81 3.01 0.48
assign ((resid 87 and name HB2 )) ( (resid 88 and name HN )) 4.28 2.48 0.43
assign ((resid 63 and name HB1 )) ( (resid 66 and name HN )) 5.40 3.60 0.54
assign ((resid 63 and name HB2 )) ( (resid 66 and name HN )) 5.40 3.60 0.54
assign ((resid 67 and name HN )) ( (resid 68 and name HN )) 3.13 1.33 0.31
assign ((resid 68 and name HB2 )) ( (resid 69 and name HN )) 3.39 1.59 0.34
assign ((resid 68 and name HB1 )) ( (resid 69 and name HN )) 3.51 1.71 0.35
assign ((resid 69 and name HN )) ( (resid 70 and name HN )) 3.13 1.33 0.31
assign ((resid 69 and name HB* )) ( (resid 70 and name HN )) 2.94 1.14 0.29
assign ((resid 70 and name HB2 )) ( (resid 71 and name HN )) 3.74 1.94 0.37
assign ((resid 70 and name HB1 )) ( (resid 71 and name HN )) 3.82 2.02 0.38
assign ((resid 70 and name HD* )) ( (resid 71 and name HN )) 4.96 3.16 0.50
assign ((resid 71 and name HN )) ( (resid 72 and name HN )) 3.02 1.22 0.30
assign ((resid 72 and name HN )) ( (resid 72 and name HB* )) 2.63 0.83 0.26
assign ((resid 72 and name HB* )) ( (resid 73 and name HN )) 3.18 1.38 0.32
assign ((resid 73 and name HN )) ( (resid 74 and name HN )) 3.20 1.40 0.32
assign ((resid 74 and name HN )) ( (resid 74 and name HB* )) 2.63 0.83 0.26
assign ((resid 73 and name HB2 )) ( (resid 74 and name HN )) 3.48 1.68 0.35
assign ((resid 73 and name HD1* )) ( (resid 74 and name HN )) 4.83 3.03 0.48
assign ((resid 73 and name HD2* )) ( (resid 74 and name HN )) 4.83 3.03 0.48
assign ((resid 74 and name HN )) ( (resid 75 and name HN )) 3.00 1.20 0.30
assign ((resid 74 and name HB* )) ( (resid 75 and name HN )) 2.92 1.12 0.29
assign ((resid 76 and name HN )) ( (resid 77 and name HN )) 3.46 1.66 0.35
assign ((resid 73 and name HA )) ( (resid 77 and name HN )) 4.42 2.62 0.44
assign ((resid 76 and name HB1 )) ( (resid 77 and name HN )) 3.84 2.04 0.38
assign ((resid 76 and name HG )) ( (resid 77 and name HN )) 5.03 3.23 0.50
assign ((resid 76 and name HD1* )) ( (resid 77 and name HN )) 4.69 2.89 0.47
assign ((resid 77 and name HN )) ( (resid 78 and name HN )) 3.33 1.53 0.33
assign ((resid 77 and name HB2 )) ( (resid 78 and name HN )) 3.39 1.59 0.34
assign ((resid 78 and name HN )) ( (resid 79 and name HN )) 2.90 1.10 0.29
assign ((resid 78 and name HB2 )) ( (resid 79 and name HN )) 3.78 1.98 0.38
assign ((resid 78 and name HB1 )) ( (resid 79 and name HN )) 3.29 1.49 0.33
assign ((resid 78 and name HD2 )) ( (resid 79 and name HN )) 3.90 2.10 0.39
assign ((resid 78 and name HD1 )) ( (resid 79 and name HN )) 4.63 2.83 0.46
assign ((resid 79 and name HN )) ( (resid 80 and name HN )) 2.95 1.15 0.30
assign ((resid 79 and name HB2 )) ( (resid 80 and name HN )) 3.75 1.95 0.38
assign ((resid 79 and name HB1 )) ( (resid 80 and name HN )) 4.08 2.28 0.41
assign ((resid 79 and name HG )) ( (resid 80 and name HN )) 4.42 2.62 0.44
assign ((resid 81 and name HB2 )) ( (resid 82 and name HN )) 4.07 2.27 0.41
assign ((resid 81 and name HB1 )) ( (resid 82 and name HN )) 4.07 2.27 0.41
assign ((resid 81 and name HG2 )) ( (resid 82 and name HN )) 4.14 2.34 0.41
assign ((resid 81 and name HG1 )) ( (resid 82 and name HN )) 4.14 2.34 0.41
assign ((resid 81 and name HD1 )) ( (resid 82 and name HN )) 4.91 3.11 0.49
assign ((resid 81 and name HD2 )) ( (resid 82 and name HN )) 4.95 3.15 0.49
assign ((resid 82 and name HN )) ( (resid 83 and name HN )) 3.50 1.70 0.35
assign ((resid 82 and name HA )) ( (resid 83 and name HN )) 3.09 1.29 0.31
assign ((resid 84 and name HA )) ( (resid 85 and name HN )) 2.83 1.03 0.28
assign ((resid 84 and name HB2 )) ( (resid 85 and name HN )) 4.56 2.76 0.46
assign ((resid 85 and name HA )) ( (resid 86 and name HN )) 2.66 0.86 0.27
assign ((resid 85 and name HB2 )) ( (resid 86 and name HN )) 4.19 2.39 0.42
assign ((resid 85 and name HB1 )) ( (resid 86 and name HN )) 4.19 2.39 0.42
assign ((resid 85 and name HD1* )) ( (resid 86 and name HN )) 4.66 2.86 0.47
assign ((resid 85 and name HD2* )) ( (resid 86 and name HN )) 4.86 3.06 0.49
assign ((resid 86 and name HA )) ( (resid 87 and name HN )) 2.80 1.00 0.28
assign ((resid 86 and name HB* )) ( (resid 87 and name HN )) 3.78 1.98 0.38
assign ((resid 87 and name HA )) ( (resid 88 and name HN )) 3.50 1.70 0.35
assign ((resid 87 and name HB1 )) ( (resid 88 and name HN )) 4.28 2.48 0.43
assign ((resid 22 and name HN )) ( (resid 76 and name HD1* )) 5.03 3.23 0.50
assign ((resid 87 and name HD2* )) ( (resid 88 and name HN )) 5.54 3.74 0.55
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assign ((resid 17 and name HB* )) ( (resid 18 and name HN )) 4.15 2.35 0.42
assign ((resid 17 and name HB* )) ( (resid 21 and name HE* )) 4.26 2.46 0.43
assign ((resid 17 and name HB* )) ( (resid 22 and name HN )) 5.25 3.45 0.53
assign ((resid 17 and name HB* )) ( (resid 22 and name HA )) 5.12 3.32 0.51
assign ((resid 17 and name HB* )) ( (resid 22 and name HB2 )) 4.13 2.33 0.41
assign ((resid 17 and name HG* )) ( (resid 17 and name HE* )) 3.22 1.42 0.32
assign ((resid 17 and name HG* )) ( (resid 18 and name HN )) 4.77 2.97 0.48
assign ((resid 17 and name HD* )) ( (resid 18 and name HN )) 6.00 4.20 0.60
assign ((resid 17 and name HD* )) ( (resid 21 and name HE* )) 5.01 3.21 0.50
assign ((resid 18 and name HN )) ( (resid 19 and name HD* )) 4.79 2.99 0.48
assign ((resid 18 and name HA )) ( (resid 18 and name HD2* )) 4.27 2.47 0.43
assign ((resid 18 and name HA )) ( (resid 19 and name HD* )) 3.10 1.30 0.31
assign ((resid 18 and name HB2 )) ( (resid 18 and name HD2* )) 3.54 1.74 0.35
assign ((resid 18 and name HB2 )) ( (resid 19 and name HD* )) 5.34 3.54 0.53
assign ((resid 18 and name HB2 )) ( (resid 21 and name HG* )) 4.36 2.56 0.44
assign ((resid 18 and name HB1 )) ( (resid 19 and name HD* )) 4.60 2.80 0.46
assign ((resid 18 and name HD2* )) ( (resid 19 and name HD* )) 4.93 3.13 0.49
assign ((resid 18 and name HD2* )) ( (resid 20 and name HN )) 5.69 3.89 0.57
assign ((resid 18 and name HD2* )) ( (resid 20 and name HG2* )) 4.25 2.45 0.43
assign ((resid 18 and name HD2* )) ( (resid 21 and name HG* )) 5.08 3.28 0.51
assign ((resid 18 and name HD2* )) ( (resid 69 and name HB* )) 5.80 4.00 0.58
assign ((resid 19 and name HA )) ( (resid 22 and name HG* )) 4.55 2.75 0.46
assign ((resid 19 and name HD* )) ( (resid 20 and name HN )) 3.63 1.83 0.36
assign ((resid 19 and name HD* )) ( (resid 20 and name HG2* )) 4.51 2.71 0.45
assign ((resid 19 and name HD* )) ( (resid 69 and name HB* )) 3.46 1.66 0.35
assign ((resid 19 and name HD* )) ( (resid 73 and name HD2* )) 5.16 3.36 0.52
assign ((resid 19 and name HD* )) ( (resid 76 and name HD1* )) 5.46 3.66 0.55
assign ((resid 20 and name HN )) ( (resid 21 and name HG* )) 5.00 3.20 0.50
assign ((resid 20 and name HG1* )) ( (resid 21 and name HG* )) 4.19 2.39 0.42
assign ((resid 20 and name HG2* )) ( (resid 21 and name HG* )) 5.25 3.45 0.53
assign ((resid 21 and name HG* )) ( (resid 21 and name HE* )) 2.96 1.16 0.30
assign ((resid 21 and name HG* )) ( (resid 22 and name HN )) 4.06 2.26 0.41
assign ((resid 22 and name HN )) ( (resid 22 and name HG* )) 4.07 2.27 0.41
assign ((resid 22 and name HA )) ( (resid 22 and name HG* )) 3.05 1.25 0.31
assign ((resid 22 and name HG* )) ( (resid 23 and name HN )) 3.51 1.71 0.35
assign ((resid 22 and name HG* )) ( (resid 26 and name HB2 )) 4.32 2.52 0.43
assign ((resid 22 and name HG* )) ( (resid 26 and name HG2 )) 5.99 4.19 0.60
assign ((resid 22 and name HG* )) ( (resid 26 and name HG1 )) 5.12 3.32 0.51
assign ((resid 22 and name HG* )) ( (resid 26 and name HD* )) 4.06 2.26 0.41
assign ((resid 22 and name HG* )) ( (resid 26 and name HE* )) 4.87 3.07 0.49
assign ((resid 22 and name HG* )) ( (resid 76 and name HD1* )) 3.84 2.04 0.38
assign ((resid 22 and name HG* )) ( (resid 76 and name HD2* )) 3.39 1.59 0.34
assign ((resid 23 and name HA )) ( (resid 26 and name HD* )) 4.78 2.98 0.48
assign ((resid 23 and name HD1* )) ( (resid 27 and name HD* )) 6.00 4.20 0.60
assign ((resid 25 and name HN )) ( (resid 26 and name HD* )) 6.00 4.20 0.60
assign ((resid 26 and name HN )) ( (resid 26 and name HD* )) 3.82 2.02 0.38
assign ((resid 26 and name HA )) ( (resid 26 and name HD* )) 3.13 1.33 0.31
assign ((resid 26 and name HA )) ( (resid 26 and name HE* )) 4.99 3.19 0.50
assign ((resid 26 and name HB2 )) ( (resid 26 and name HE* )) 5.44 3.64 0.54
assign ((resid 26 and name HG2 )) ( (resid 26 and name HD* )) 2.51 0.71 0.25
assign ((resid 26 and name HG2 )) ( (resid 26 and name HE* )) 3.71 1.91 0.37
assign ((resid 26 and name HG1 )) ( (resid 26 and name HE* )) 3.58 1.78 0.36
assign ((resid 26 and name HD* )) ( (resid 80 and name HB1 )) 6.00 4.20 0.60
assign ((resid 26 and name HE* )) ( (resid 76 and name HD2* )) 4.13 2.33 0.41
assign ((resid 26 and name HE* )) ( (resid 80 and name HB2 )) 5.12 3.32 0.51
assign ((resid 26 and name HE* )) ( (resid 80 and name HB1 )) 4.39 2.59 0.44
assign ((resid 26 and name HE* )) ( (resid 80 and name HD* )) 4.38 2.58 0.44
assign ((resid 26 and name HE* )) ( (resid 80 and name HE* )) 4.90 3.10 0.49
assign ((resid 27 and name HN )) ( (resid 27 and name HD* )) 4.98 3.18 0.50
assign ((resid 27 and name HA )) ( (resid 27 and name HD* )) 3.45 1.65 0.34
assign ((resid 27 and name HB2 )) ( (resid 27 and name HD* )) 3.52 1.72 0.35
assign ((resid 27 and name HB1 )) ( (resid 27 and name HD* )) 3.43 1.63 0.34
assign ((resid 27 and name HD* )) ( (resid 28 and name HN )) 3.75 1.95 0.38
assign ((resid 27 and name HD* )) ( (resid 30 and name HD1* )) 6.00 4.20 0.60
assign ((resid 27 and name HD* )) ( (resid 30 and name HD2* )) 4.45 2.65 0.44
assign ((resid 27 and name HD* )) ( (resid 52 and name HG1* )) 4.01 2.21 0.40
assign ((resid 27 and name HD* )) ( (resid 79 and name HD1* )) 5.61 3.81 0.56
assign ((resid 27 and name HD* )) ( (resid 80 and name HZ )) 5.22 3.42 0.52
assign ((resid 27 and name HE )) ( (resid 53 and name HB* )) 4.32 2.52 0.43
assign ((resid 28 and name HN )) ( (resid 28 and name HB* )) 2.71 0.91 0.27
assign ((resid 28 and name HN )) ( (resid 28 and name HG* )) 2.98 1.18 0.30
assign ((resid 28 and name HA )) ( (resid 28 and name HG* )) 3.56 1.76 0.36
assign ((resid 28 and name HB* )) ( (resid 28 and name HD* )) 3.34 1.54 0.33
assign ((resid 28 and name HB* )) ( (resid 29 and name HN )) 3.38 1.58 0.34
assign ((resid 28 and name HB* )) ( (resid 29 and name HA* )) 3.96 2.16 0.40
assign ((resid 28 and name HG* )) ( (resid 29 and name HN )) 4.69 2.89 0.47
assign ((resid 28 and name HG* )) ( (resid 29 and name HA* )) 5.79 3.99 0.58
assign ((resid 28 and name HD* )) ( (resid 29 and name HN )) 5.01 3.21 0.50
assign ((resid 29 and name HA* )) ( (resid 30 and name HB2 )) 5.99 4.19 0.60
assign ((resid 29 and name HA* )) ( (resid 30 and name HD2* )) 5.09 3.29 0.51
assign ((resid 31 and name HA )) ( (resid 31 and name HD* )) 4.58 2.78 0.46
assign ((resid 31 and name HA )) ( (resid 31 and name HE* )) 5.41 3.61 0.54
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assign ((resid 31 and name HB1 )) ( (resid 31 and name HE* )) 4.63 2.83 0.46
assign ((resid 31 and name HG1 )) ( (resid 31 and name HE* )) 3.56 1.76 0.36
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assign ((resid 34 and name HD1* )) ( (resid 36 and name HB* )) 4.73 2.93 0.47
assign ((resid 34 and name HD1* )) ( (resid 37 and name HB* )) 3.89 2.09 0.39
assign ((resid 34 and name HD1* )) ( (resid 37 and name HG* )) 4.70 2.90 0.47
assign ((resid 34 and name HD1* )) ( (resid 64 and name HG* )) 3.90 2.10 0.39
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assign ((resid 34 and name HD2* )) ( (resid 37 and name HB* )) 3.27 1.47 0.33
assign ((resid 34 and name HD2* )) ( (resid 37 and name HG* )) 4.78 2.98 0.48
assign ((resid 34 and name HD2* )) ( (resid 64 and name HE* )) 4.40 2.60 0.44
assign ((resid 35 and name HB )) ( (resid 36 and name HB* )) 4.95 3.15 0.49
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assign ((resid 36 and name HN )) ( (resid 36 and name HB* )) 3.39 1.59 0.34
assign ((resid 36 and name HB* )) ( (resid 37 and name HN )) 3.67 1.87 0.37
assign ((resid 36 and name HB* )) ( (resid 37 and name HB* )) 5.34 3.54 0.53
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assign ((resid 36 and name HB* )) ( (resid 47 and name HB )) 3.21 1.41 0.32
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assign ((resid 37 and name HA )) ( (resid 37 and name HG* )) 3.59 1.79 0.36
assign ((resid 37 and name HB* )) ( (resid 38 and name HN )) 3.96 2.16 0.40
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assign ((resid 38 and name HN )) ( (resid 44 and name HD* )) 5.09 3.29 0.51
assign ((resid 38 and name HN )) ( (resid 45 and name HB* )) 5.16 3.36 0.52
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assign ((resid 38 and name HB )) ( (resid 39 and name HA* )) 5.73 3.93 0.57
assign ((resid 38 and name HB )) ( (resid 44 and name HD* )) 6.00 4.20 0.60
assign ((resid 38 and name HB )) ( (resid 45 and name HB* )) 6.00 4.20 0.60
assign ((resid 38 and name HG2* )) ( (resid 45 and name HB* )) 4.07 2.27 0.41
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assign ((resid 39 and name HA* )) ( (resid 40 and name HN )) 2.96 1.16 0.30
assign ((resid 39 and name HA* )) ( (resid 44 and name HA )) 4.02 2.22 0.40
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assign ((resid 43 and name HB* )) ( (resid 44 and name HN )) 4.34 2.54 0.43
assign ((resid 44 and name HN )) ( (resid 44 and name HB* )) 3.15 1.35 0.32
assign ((resid 44 and name HN )) ( (resid 44 and name HG* )) 3.70 1.90 0.37
assign ((resid 44 and name HN )) ( (resid 44 and name HD* )) 4.34 2.54 0.43
assign ((resid 44 and name HA )) ( (resid 44 and name HG* )) 3.41 1.61 0.34
assign ((resid 44 and name HA )) ( (resid 44 and name HD* )) 3.20 1.40 0.32
assign ((resid 44 and name HA )) ( (resid 44 and name HE* )) 4.70 2.90 0.47
assign ((resid 44 and name HB* )) ( (resid 44 and name HD* )) 3.04 1.24 0.30
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assign ((resid 44 and name HB* )) ( (resid 46 and name HD* )) 4.95 3.15 0.49
assign ((resid 44 and name HB* )) ( (resid 46 and name HE* )) 4.28 2.48 0.43
assign ((resid 44 and name HB* )) ( (resid 46 and name HZ )) 5.52 3.72 0.55
assign ((resid 44 and name HB* )) ( (resid 62 and name HA )) 6.00 4.20 0.60
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assign ((resid 44 and name HG* )) ( (resid 44 and name HE* )) 3.15 1.35 0.32
assign ((resid 44 and name HG* )) ( (resid 46 and name HE* )) 3.93 2.13 0.39
assign ((resid 44 and name HG* )) ( (resid 46 and name HZ )) 5.35 3.55 0.54
assign ((resid 44 and name HD* )) ( (resid 46 and name HE* )) 4.27 2.47 0.43
assign ((resid 44 and name HD* )) ( (resid 46 and name HZ )) 4.30 2.50 0.43
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assign ((resid 44 and name HE* )) ( (resid 46 and name HZ )) 4.53 2.73 0.45
assign ((resid 45 and name HA )) ( (resid 45 and name HD* )) 4.94 3.14 0.49
assign ((resid 45 and name HB* )) ( (resid 45 and name HD* )) 3.01 1.21 0.30
assign ((resid 45 and name HG* )) ( (resid 47 and name HG2* )) 3.45 1.65 0.34
assign ((resid 45 and name HD* )) ( (resid 47 and name HG2* )) 4.72 2.92 0.47
assign ((resid 45 and name HD* )) ( (resid 60 and name HB* )) 4.25 2.45 0.43
assign ((resid 46 and name HB2 )) ( (resid 64 and name HG* )) 4.86 3.06 0.49
assign ((resid 46 and name HB1 )) ( (resid 64 and name HG* )) 5.24 3.44 0.52
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assign ((resid 46 and name HE* )) ( (resid 64 and name HG* )) 5.76 3.96 0.58
assign ((resid 46 and name HE* )) ( (resid 64 and name HD* )) 5.25 3.45 0.53
assign ((resid 46 and name HZ )) ( (resid 64 and name HG* )) 5.92 4.12 0.59
assign ((resid 47 and name HN )) ( (resid 64 and name HG* )) 6.00 4.20 0.60
assign ((resid 48 and name HG2 )) ( (resid 64 and name HG* )) 5.39 3.59 0.54
assign ((resid 48 and name HG1 )) ( (resid 64 and name HG* )) 5.38 3.58 0.54
assign ((resid 48 and name HE* )) ( (resid 64 and name HB* )) 3.94 2.14 0.39
assign ((resid 48 and name HE* )) ( (resid 64 and name HG* )) 3.53 1.73 0.35
assign ((resid 48 and name HE* )) ( (resid 64 and name HD* )) 3.81 2.01 0.38
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assign ((resid 51 and name HN )) ( (resid 51 and name HB* )) 2.82 1.02 0.28
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assign ((resid 51 and name HA )) ( (resid 51 and name HG* )) 3.44 1.64 0.34
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assign ((resid 51 and name HB* )) ( (resid 56 and name HB1 )) 5.44 3.64 0.54
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assign ((resid 51 and name HB* )) ( (resid 56 and name HG1 )) 3.86 2.06 0.39
assign ((resid 51 and name HB* )) ( (resid 56 and name HD2 )) 4.19 2.39 0.42
assign ((resid 51 and name HB* )) ( (resid 56 and name HD1 )) 5.04 3.24 0.50
assign ((resid 51 and name HB* )) ( (resid 56 and name HE* )) 4.02 2.22 0.40
assign ((resid 51 and name HG* )) ( (resid 52 and name HN )) 3.60 1.80 0.36
assign ((resid 51 and name HG* )) ( (resid 52 and name HA )) 5.11 3.31 0.51
assign ((resid 51 and name HG* )) ( (resid 53 and name HN )) 4.69 2.89 0.47
assign ((resid 51 and name HG* )) ( (resid 54 and name HN )) 3.38 1.58 0.34
assign ((resid 51 and name HG* )) ( (resid 54 and name HA2 )) 4.47 2.67 0.45
assign ((resid 51 and name HG* )) ( (resid 54 and name HA1 )) 5.01 3.21 0.50
assign ((resid 51 and name HG* )) ( (resid 55 and name HN )) 4.57 2.77 0.46
assign ((resid 51 and name HG* )) ( (resid 56 and name HA )) 5.47 3.67 0.55
assign ((resid 51 and name HG* )) ( (resid 56 and name HG2 )) 4.59 2.79 0.46
assign ((resid 51 and name HG* )) ( (resid 56 and name HG1 )) 4.11 2.31 0.41
assign ((resid 51 and name HG* )) ( (resid 56 and name HD2 )) 4.43 2.63 0.44
assign ((resid 51 and name HG* )) ( (resid 56 and name HD1 )) 4.98 3.18 0.50
assign ((resid 51 and name HG* )) ( (resid 56 and name HE* )) 3.67 1.87 0.37
assign ((resid 52 and name HG1* )) ( (resid 53 and name HB* )) 3.74 1.94 0.37
assign ((resid 53 and name HN )) ( (resid 53 and name HB* )) 3.54 1.74 0.35
assign ((resid 53 and name HB* )) ( (resid 54 and name HN )) 4.02 2.22 0.40
assign ((resid 53 and name HB* )) ( (resid 55 and name HN )) 4.47 2.67 0.45
assign ((resid 53 and name HB* )) ( (resid 55 and name HE21 )) 4.35 2.55 0.44
assign ((resid 53 and name HB* )) ( (resid 55 and name HE22 )) 4.24 2.44 0.42
assign ((resid 53 and name HB* )) ( (resid 79 and name HD1* )) 3.41 1.61 0.34
assign ((resid 55 and name HE21 )) ( (resid 78 and name HE* )) 5.82 4.02 0.58
assign ((resid 55 and name HE22 )) ( (resid 78 and name HE* )) 4.71 2.91 0.47
assign ((resid 56 and name HN )) ( (resid 56 and name HE* )) 4.76 2.96 0.48
assign ((resid 56 and name HB2 )) ( (resid 56 and name HE* )) 4.52 2.72 0.45
assign ((resid 56 and name HB1 )) ( (resid 56 and name HE* )) 5.22 3.42 0.52
assign ((resid 56 and name HG2 )) ( (resid 56 and name HE* )) 3.34 1.54 0.33
assign ((resid 56 and name HG1 )) ( (resid 56 and name HE* )) 3.63 1.83 0.36
assign ((resid 57 and name HE* )) ( (resid 78 and name HE* )) 4.39 2.59 0.44
assign ((resid 57 and name HZ )) ( (resid 78 and name HE* )) 5.00 3.20 0.50
assign ((resid 62 and name HB* )) ( (resid 63 and name HN )) 3.59 1.79 0.36
assign ((resid 62 and name HB* )) ( (resid 66 and name HG1* )) 5.57 3.77 0.56
assign ((resid 63 and name HB* )) ( (resid 63 and name HD22 )) 3.35 1.55 0.34
assign ((resid 63 and name HB* )) ( (resid 64 and name HN )) 3.81 2.01 0.38
assign ((resid 63 and name HB* )) ( (resid 65 and name HN )) 4.19 2.39 0.42
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assign ((resid 63 and name HB* )) ( (resid 66 and name HN )) 4.58 2.78 0.46
assign ((resid 63 and name HB* )) ( (resid 66 and name HG2* )) 4.32 2.52 0.43
assign ((resid 64 and name HN )) ( (resid 64 and name HG* )) 4.09 2.29 0.41
assign ((resid 64 and name HN )) ( (resid 65 and name HG* )) 5.23 3.43 0.52
assign ((resid 64 and name HA )) ( (resid 64 and name HG* )) 3.22 1.42 0.32
assign ((resid 64 and name HA )) ( (resid 64 and name HD* )) 4.27 2.47 0.43
assign ((resid 64 and name HB* )) ( (resid 64 and name HD* )) 3.04 1.24 0.30
assign ((resid 64 and name HB* )) ( (resid 64 and name HE* )) 4.21 2.41 0.42
assign ((resid 64 and name HB* )) ( (resid 65 and name HN )) 3.19 1.39 0.32
assign ((resid 64 and name HB* )) ( (resid 65 and name HA )) 4.40 2.60 0.44
assign ((resid 64 and name HG* )) ( (resid 64 and name HE* )) 3.27 1.47 0.33
assign ((resid 64 and name HG* )) ( (resid 65 and name HN )) 4.98 3.18 0.50
assign ((resid 65 and name HN )) ( (resid 65 and name HG* )) 3.40 1.60 0.34
assign ((resid 65 and name HN )) ( (resid 65 and name HD* )) 4.67 2.87 0.47
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assign ((resid 65 and name HA )) ( (resid 65 and name HG* )) 3.11 1.31 0.31
assign ((resid 65 and name HA )) ( (resid 65 and name HD* )) 4.60 2.80 0.46
assign ((resid 65 and name HA )) ( (resid 65 and name HE* )) 4.79 2.99 0.48
assign ((resid 65 and name HB2 )) ( (resid 65 and name HD* )) 3.64 1.84 0.36
assign ((resid 65 and name HB2 )) ( (resid 65 and name HE* )) 4.62 2.82 0.46
assign ((resid 65 and name HB1 )) ( (resid 65 and name HD* )) 3.44 1.64 0.34
assign ((resid 65 and name HB1 )) ( (resid 65 and name HE* )) 4.68 2.88 0.47
assign ((resid 65 and name HG* )) ( (resid 65 and name HE* )) 3.23 1.43 0.32
assign ((resid 65 and name HG* )) ( (resid 66 and name HN )) 4.23 2.43 0.42
assign ((resid 73 and name HG )) ( (resid 77 and name HG* )) 5.37 3.57 0.54
assign ((resid 73 and name HD1* )) ( (resid 77 and name HG* )) 4.04 2.24 0.40
assign ((resid 73 and name HD2* )) ( (resid 77 and name HG* )) 4.14 2.34 0.41
assign ((resid 74 and name HN )) ( (resid 77 and name HG* )) 5.20 3.40 0.52
assign ((resid 74 and name HA )) ( (resid 77 and name HG* )) 4.18 2.38 0.42
assign ((resid 76 and name HB1 )) ( (resid 77 and name HG* )) 5.28 3.48 0.53
assign ((resid 77 and name HN )) ( (resid 77 and name HG* )) 3.21 1.41 0.32
assign ((resid 77 and name HA )) ( (resid 77 and name HG* )) 3.16 1.36 0.32
assign ((resid 77 and name HG* )) ( (resid 78 and name HN )) 4.30 2.50 0.43
assign ((resid 77 and name HG* )) ( (resid 78 and name HA )) 6.00 4.20 0.60
assign ((resid 78 and name HA )) ( (resid 78 and name HE* )) 5.17 3.37 0.52
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assign ((resid 78 and name HB1 )) ( (resid 78 and name HE* )) 4.32 2.52 0.43
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assign ((resid 81 and name HB* )) ( (resid 82 and name HN )) 3.38 1.58 0.34
assign ((resid 81 and name HB* )) ( (resid 83 and name HN )) 4.14 2.34 0.41
assign ((resid 81 and name HB* )) ( (resid 83 and name HB )) 6.00 4.20 0.60
assign ((resid 81 and name HG* )) ( (resid 82 and name HN )) 3.51 1.71 0.35
assign ((resid 81 and name HG* )) ( (resid 83 and name HN )) 5.19 3.39 0.52
assign ((resid 83 and name HA )) ( (resid 84 and name HG* )) 4.27 2.47 0.43
assign ((resid 83 and name HB )) ( (resid 84 and name HG* )) 6.00 4.20 0.60
assign ((resid 83 and name HB )) ( (resid 84 and name HD* )) 3.30 1.50 0.33
assign ((resid 83 and name HG2* )) ( (resid 84 and name HD* )) 3.37 1.57 0.34
assign ((resid 84 and name HB* )) ( (resid 85 and name HN )) 3.96 2.16 0.40
assign ((resid 84 and name HB* )) ( (resid 85 and name HD1* )) 4.69 2.89 0.47
assign ((resid 84 and name HG* )) ( (resid 85 and name HN )) 5.07 3.27 0.51
assign ((resid 85 and name HN )) ( (resid 85 and name HB* )) 3.45 1.65 0.34
assign ((resid 85 and name HB* )) ( (resid 85 and name HD2* )) 3.12 1.32 0.31
assign ((resid 85 and name HB* )) ( (resid 86 and name HN )) 3.55 1.75 0.35
assign ((resid 86 and name HN )) ( (resid 87 and name HD* )) 5.36 3.56 0.54
assign ((resid 87 and name HN )) ( (resid 87 and name HB* )) 3.02 1.22 0.30
assign ((resid 87 and name HN )) ( (resid 87 and name HD* )) 4.25 2.45 0.43
assign ((resid 87 and name HA )) ( (resid 87 and name HD* )) 2.87 1.07 0.29
assign ((resid 87 and name HB* )) ( (resid 87 and name HG )) 2.31 0.51 0.23
assign ((resid 87 and name HB* )) ( (resid 88 and name HN )) 3.68 1.88 0.37
assign ((resid 87 and name HD* )) ( (resid 88 and name HN )) 4.60 2.80 0.46
assign ((resid 88 and name HN )) ( (resid 88 and name HB* )) 3.15 1.35 0.32
assign ((resid 88 and name HB* )) ( (resid 89 and name HN )) 3.95 2.15 0.40
assign ((resid 91 and name HN )) ( (resid 91 and name HG* )) 4.62 2.82 0.46
assign ((resid 91 and name HB* )) ( (resid 91 and name HD* )) 2.34 0.54 0.23
list of removed NOE constraints
217-> ASN 24 HB1 - ASN 24 HD21 1.80 3.70 # NoRestrctn I [2.10 3.57] -- intra
222-> ASN 63 HB2 - ASN 63 HD21 1.80 3.88 # NoRestrctn I [2.10 3.57] -- intra
223-> ASN 63 HB1 - ASN 63 HD21 1.80 3.88 # NoRestrctn I [2.10 3.57] -- intra
242-> GLN 58 HG1 - GLN 58 HE22 1.80 4.15 # NoRestrctn I [3.46 4.15] -- intra
245-> LEU 12 HN - LEU 12 HB1 1.80 4.41 # NoRestrctn I [2.00 4.30] -- intra
249-> LYS 14 HN - LYS 14 HG1 1.80 6.80 # NoRestrctn I [2.35 6.01] -- intra
311-> SER 36 HN - SER 36 HB2 1.80 4.31 # NoRestrctn I [2.00 4.30] -- intra
312-> SER 36 HN - SER 36 HB1 1.80 4.31 # NoRestrctn I [2.00 4.30] -- intra
313-> GLU 37 HN - GLU 37 HB2 1.80 4.53 # NoRestrctn I [2.00 4.30] -- intra
341-> ASP 53 HN - ASP 53 HB2 1.80 4.44 # NoRestrctn I [2.00 4.30] -- intra
342-> ASP 53 HN - ASP 53 HB1 1.80 4.44 # NoRestrctn I [2.00 4.30] -- intra
343-> GLY 54 HN - GLY 54 HA2 1.80 3.17 # NoRestrctn I [2.00 2.99] -- intra
353-> PHE 57 HN - PHE 57 HB1 1.80 4.41 # NoRestrctn I [2.00 4.30] -- intra
361-> ASN 63 HN - ASN 63 HB2 1.80 4.39 # NoRestrctn I [2.00 4.30] -- intra
362-> ASN 63 HN - ASN 63 HB1 1.80 4.39 # NoRestrctn I [2.00 4.30] -- intra
410-> PHE 80 HN - PHE 80 HB1 1.80 4.35 # NoRestrctn I [2.00 4.30] -- intra
569-> ARG 27 HN - ARG 28 HA 1.80 5.22 # NoRestrctn S [2.00 3.99] -- sequential
675-> PHE 57 HN - GLN 58 HA 1.80 5.79 # NoRestrctn S [2.00 3.99] -- sequential
792-> LYS 78 HN - LEU 79 HA 1.80 5.85 # NoRestrctn S [2.00 3.99] -- sequential
794-> LEU 79 HN - PHE 80 HA 1.80 5.60 # NoRestrctn S [2.00 3.99] -- sequential
844-> LYS 14 HN - LYS 14 HG2 1.80 6.80 # NoRestrctn I [2.35 6.01] -- intra
903-> LEU 30 HA - LEU 30 HG 1.80 4.48 # NoRestrctn I [2.06 4.26] -- intra
922-> GLU 33 HN - GLU 33 HB2 1.80 4.38 # NoRestrctn I [2.00 4.30] -- intra
925-> LEU 34 HA - LEU 34 HG 1.80 4.70 # NoRestrctn I [2.06 4.26] -- intra
936-> ILE 35 HB - ILE 35 HD1* 1.80 3.83 # NoRestrctn I [2.63 3.78] -- intra
942-> ILE 35 HG2* - ILE 35 HD1* 1.80 2.84 # TooRestrct I [2.92 5.00] -- intra
943-> GLU 37 HN - GLU 37 HB1 1.80 4.53 # NoRestrctn I [2.00 4.30] -- intra
996-> LYS 56 HA - LYS 56 HG2 1.80 4.62 # NoRestrctn I [2.06 4.60] -- intra
1058-> LEU 73 HA - LEU 73 HG 1.80 4.33 # NoRestrctn I [2.06 4.26] -- intra
1114-> LEU 85 HN - LEU 85 HB2 1.80 4.36 # NoRestrctn I [2.00 4.30] -- intra
1115-> LEU 85 HN - LEU 85 HB1 1.80 4.36 # NoRestrctn I [2.00 4.30] -- intra
1122-> LEU 85 HA - LEU 85 HG 1.80 4.53 # NoRestrctn I [2.06 4.26] -- intra
1284-> ASN 18 HA - PRO 19 HD2 1.80 3.98 # NoRestrctn S [2.00 3.95] -- sequential
1286-> ASN 18 HA - PRO 19 HD1 1.80 3.98 # NoRestrctn S [2.00 3.95] -- sequential
1321-> VAL 20 HN - MET 21 HA 1.80 6.08 # NoRestrctn S [2.00 3.99] -- sequential
1881-> ALA 74 HA - ALA 75 HB* 1.80 6.50 # NoRestrctn S [2.00 6.01] -- sequential
2059-> GLU 49 HN - VAL 50 HA 1.80 6.82 # NoRestrctn S [2.00 3.99] -- sequential
2235-> GLY 16 HN - LYS 17 HB* 1.80 6.60 # NoRestrctn S [2.00 6.01] -- sequential
2255-> ASN 18 HN - ASN 18 HD2* 1.80 6.57 # NoRestrctn I [2.29 6.01] -- intra
2327-> LYS 31 HN - LYS 31 HD* 1.80 6.20 # NoRestrctn I [2.29 6.01] -- intra
2480-> LYS 65 HD* - LYS 65 HE* 1.80 2.58 # NoRestrctn I [2.27 2.51] -- intra
2497-> PHE 80 HN - PRO 81 HB* 1.80 6.56 # NoRestrctn S [2.00 6.01] -- sequential
2507-> PRO 84 HA - LEU 85 HB* 1.80 6.08 # NoRestrctn S [2.00 6.01] -- sequential
2514-> LEU 85 HB* - ALA 86 HA 1.80 6.45 # NoRestrctn S [2.00 6.01] -- sequential
2516-> ALA 86 HA - LEU 87 HB* 1.80 6.60 # NoRestrctn S [2.00 6.01] -- sequential
2525-> ASN 90 HN - ASN 90 HB* 1.80 3.99 # NoRestrctn I [2.29 3.93] -- intra
2526-> ASN 90 HN - ASN 90 HD2* 1.80 6.59 # NoRestrctn I [2.29 6.01] -- intra
2527-> LYS 91 HN - LYS 91 HB* 1.80 3.99 # NoRestrctn I [2.29 3.93] -- intra
====== TOTAL ======: 48
table of distance constraints violations
Residual Violations greater than 0.10
16-> PRO 19 HG2 - VAL 20 HN [ 1.80 3.22] 1.27 1.25 1.12 1.12 1.17 1.23 1.19 1.22 1.19 1.16 1.23 1.15 1.20 1.17 0.00 1.16 1.17 1.20 1.13 1.19 - 19 [ 1.12 .. 1.27]
17-> PRO 19 HG3 - VAL 20 HN [ 1.80 4.14] 0.69 0.69 0.63 0.60 0.62 0.64 0.63 0.63 0.64 0.59 0.66 0.60 0.64 0.63 0.25 0.62 0.59 0.64 0.56 0.62 - 20 [ 0.25 .. 0.69]
24-> GLU 22 HN - GLU 25 HG3 [ 1.80 6.82] 0.00 0.00 0.00 0.65 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.65 .. 1.20]
27-> GLU 22 HG2 - LEU 23 HN [ 1.80 4.46] 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.22 0.68 0.00 0.14 0.00 - 6 [ 0.13 .. 0.68]
28-> GLU 22 HG3 - LEU 23 HN [ 1.80 4.46] 0.27 0.18 0.00 0.25 0.19 0.16 0.00 0.00 0.14 0.18 0.00 0.23 0.11 0.25 0.00 0.00 0.00 0.21 0.00 0.14 - 12 [ 0.11 .. 0.27]
42-> ARG 27 HN - LEU 30 HD1* [ 1.80 4.03] 0.27 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 - 3 [ 0.12 .. 0.27]
44-> ARG 27 HN - LEU 30 HD2* [ 1.80 4.74] 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.29 .. 0.53]
47-> ARG 27 HB3 - ARG 28 HN [ 1.80 3.87] 0.55 0.52 0.00 0.00 0.23 0.57 0.40 0.44 0.38 0.38 0.37 0.00 0.50 0.00 0.00 0.00 0.00 0.55 0.36 0.38 - 13 [ 0.23 .. 0.57]
61-> LYS 31 HG2 - TYR 32 HN [ 1.80 4.61] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.01 0.00 0.00 0.00 0.03 0.27 0.00 - 4 [ 0.01 .. 0.27]
62-> LYS 31 HG3 - TYR 32 HN [ 1.80 4.33] 0.87 0.87 0.87 0.81 0.00 0.87 0.90 0.81 0.00 0.84 0.00 0.88 0.81 0.86 0.78 0.00 0.00 0.88 0.00 0.00 - 13 [ 0.78 .. 0.90]
68-> GLU 33 HB2 - LEU 34 HN [ 1.80 3.37] 0.60 0.58 0.50 0.45 0.54 0.56 0.62 0.52 0.00 0.57 0.53 0.40 0.56 0.58 0.51 0.57 0.52 0.58 0.51 0.00 - 18 [ 0.40 .. 0.62]
70-> GLU 33 HG3 - LEU 34 HN [ 1.80 4.54] 0.43 0.42 0.38 0.33 0.35 0.41 0.42 0.38 0.00 0.41 0.30 0.32 0.39 0.40 0.37 0.37 0.40 0.40 0.39 0.00 - 18 [ 0.30 .. 0.43]
71-> GLU 33 HG2 - LEU 34 HN [ 1.80 4.46] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 - 2 [ 0.20 .. 0.28]
113-> VAL 50 HG2* - GLU 51 HN [ 1.80 3.19] 0.00 0.00 0.00 0.00 0.85 0.00 0.88 0.00 0.85 0.00 0.82 0.87 0.00 0.88 0.84 0.83 0.00 0.00 0.90 0.85 - 10 [ 0.82 .. 0.90]
127-> GLN 55 HB3 - LYS 56 HN [ 1.80 4.03] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 - 2 [ 0.32 .. 0.33]
131-> LEU 12 HB3 - ASN 18 HN [ 1.80 4.32] 0.00 0.00 0.00 4.57 0.00 0.00 1.07 0.51 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 1.05 1.30 0.00 - 6 [ 0.51 .. 4.57]
150-> LYS 65 HB2 - VAL 66 HN [ 1.80 3.37] 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.48 .. 0.48]
158-> LYS 68 HB2 - ALA 69 HN [ 1.80 3.73] 0.00 0.13 0.13 0.18 0.09 0.00 0.00 0.00 0.13 0.09 0.05 0.00 0.00 0.04 0.00 0.00 0.14 0.00 0.00 0.00 - 9 [ 0.04 .. 0.18]
170-> LEU 73 HB2 - ALA 74 HN [ 1.80 3.83] 0.05 0.08 0.02 0.10 0.07 0.09 0.04 0.05 0.06 0.04 0.06 0.05 0.04 0.08 0.07 0.06 0.10 0.08 0.04 0.07 - 20 [ 0.02 .. 0.10]
181-> GLU 77 HB2 - LYS 78 HN [ 1.80 3.73] 0.00 0.16 0.00 0.32 0.00 0.00 0.00 0.31 0.00 0.00 0.52 0.13 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.28 - 7 [ 0.13 .. 0.52]
184-> LYS 78 HB3 - LEU 79 HN [ 1.80 3.62] 0.30 0.00 0.37 0.29 0.27 0.00 0.30 0.30 0.35 0.22 0.20 0.00 0.29 0.00 0.33 0.32 0.00 0.00 0.31 0.40 - 14 [ 0.20 .. 0.40]
185-> LYS 78 HD2 - LEU 79 HN [ 1.80 4.29] 1.55 0.66 1.56 1.54 1.55 0.59 1.53 1.55 1.54 1.45 1.47 0.54 1.52 0.65 1.54 1.54 0.52 0.85 1.53 1.58 - 20 [ 0.52 .. 1.58]
186-> LYS 78 HD3 - LEU 79 HN [ 1.80 5.09] 0.14 0.42 0.12 0.06 0.14 0.35 0.11 0.07 0.14 0.06 0.13 0.00 0.11 0.41 0.12 0.10 0.30 0.51 0.15 0.05 - 19 [ 0.05 .. 0.51]
192-> PRO 81 HB3 - ASP 82 HN [ 1.80 4.48] 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.00 .. 0.25]
194-> PRO 81 HG3 - ASP 82 HN [ 1.80 4.55] 0.00 0.18 0.00 0.00 0.75 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.15 .. 0.75]
198-> ASP 82 HA - THR 83 HN [ 1.80 3.40] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.18 0.00 0.15 0.00 0.15 0.00 0.15 0.15 0.02 0.00 0.13 - 8 [ 0.02 .. 0.18]
213-> ASP 88 HA - ALA 89 HN [ 1.80 3.44] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.04 - 2 [ 0.04 .. 0.13]
225-> GLN 55 HN - GLN 55 HE22 [ 1.80 6.16] 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 - 3 [ 0.26 .. 0.37]
228-> GLN 55 HB2 - GLN 55 HE22 [ 1.80 4.63] 0.72 0.72 0.72 0.71 0.65 0.71 0.73 0.75 0.73 0.71 0.73 0.00 0.71 0.72 0.73 0.69 0.72 0.00 0.72 0.72 - 18 [ 0.65 .. 0.75]
229-> GLN 55 HN - GLN 55 HE21 [ 1.80 4.94] 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 - 3 [ 0.77 .. 0.87]
232-> GLN 55 HB2 - GLN 55 HE21 [ 1.80 4.30] 0.19 0.21 0.21 0.19 0.08 0.18 0.21 0.25 0.21 0.18 0.22 0.04 0.18 0.20 0.22 0.15 0.21 0.00 0.19 0.21 - 19 [ 0.04 .. 0.25]
235-> ILE 35 HB - GLN 58 HE21 [ 1.80 5.63] 1.34 1.17 1.05 0.63 0.57 1.53 0.80 1.06 0.62 0.34 0.38 1.41 1.28 1.03 1.18 1.00 1.33 1.24 1.24 1.02 - 20 [ 0.34 .. 1.53]
253-> ASN 18 HN - ASN 18 HB2 [ 1.80 3.52] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 - 1 [ 0.34 .. 0.34]
269-> GLU 25 HN - GLU 25 HG2 [ 1.80 3.78] 0.00 0.00 0.00 0.76 0.00 0.77 0.00 0.01 0.00 0.00 0.00 0.05 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 - 6 [ 0.01 .. 0.77]
270-> GLU 25 HN - GLU 25 HG3 [ 1.80 3.59] 0.00 0.00 0.00 0.82 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.82 .. 0.82]
281-> ARG 27 HN - ARG 27 HG2 [ 1.80 4.42] 0.66 0.68 0.00 0.00 0.76 0.64 0.72 0.67 0.72 0.72 0.70 0.00 0.71 0.00 0.00 0.00 0.00 0.64 0.72 0.71 - 13 [ 0.64 .. 0.76]
283-> ARG 27 HN - ARG 28 HD2 [ 1.80 6.82] 1.66 1.06 0.80 1.05 0.66 1.65 0.30 1.88 0.96 1.12 1.04 1.25 1.65 1.24 1.03 1.04 0.87 0.92 1.73 1.08 - 20 [ 0.30 .. 1.88]
284-> ARG 27 HN - ARG 28 HD3 [ 1.80 6.82] 0.51 1.52 0.00 1.65 0.00 0.54 0.46 0.76 0.34 1.61 1.57 0.14 0.49 0.19 0.30 1.69 0.07 1.42 0.58 1.57 - 18 [ 0.07 .. 1.69]
285-> ARG 27 HD2 - ARG 28 HN [ 1.80 4.95] 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 - 2 [ 0.13 .. 0.15]
286-> ARG 28 HN - ARG 28 HD3 [ 1.80 5.42] 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 - 2 [ 0.08 .. 0.11]
293-> LYS 31 HN - VAL 50 HB [ 1.80 6.19] 0.00 0.00 0.00 0.00 0.23 0.00 0.05 0.00 0.15 0.00 0.38 0.03 0.00 0.13 0.28 0.29 0.00 0.00 0.29 0.41 - 10 [ 0.03 .. 0.41]
294-> LEU 30 HB2 - LYS 31 HN [ 1.80 3.53] 0.50 0.22 0.41 0.22 0.12 0.47 0.15 0.20 0.19 0.13 0.19 0.11 0.29 0.16 0.20 0.31 0.38 0.49 0.23 0.16 - 20 [ 0.11 .. 0.50]
299-> GLU 33 HN - MET 48 HE* [ 1.80 5.03] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.89 .. 0.89]
300-> GLU 33 HN - GLU 33 HB3 [ 1.80 3.45] 0.37 0.35 0.38 0.37 0.31 0.36 0.34 0.36 0.00 0.34 0.26 0.31 0.25 0.34 0.25 0.30 0.34 0.36 0.34 0.00 - 18 [ 0.25 .. 0.38]
331-> MET 48 HE* - GLU 49 HN [ 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 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.66 .. 0.66]
333-> VAL 50 HN - VAL 50 HG1* [ 1.80 3.23] 0.00 0.00 0.00 0.00 0.63 0.00 0.64 0.00 0.65 0.00 0.61 0.64 0.00 0.65 0.62 0.65 0.00 0.00 0.63 0.64 - 10 [ 0.61 .. 0.65]
337-> LYS 31 HB3 - GLU 51 HN [ 1.80 3.77] 0.16 0.19 0.31 0.38 0.00 0.20 0.30 0.34 0.00 0.19 0.00 0.14 1.67 0.15 0.16 0.00 0.00 0.14 0.00 0.00 - 13 [ 0.14 .. 1.67]
345-> GLN 55 HN - GLN 55 HG3 [ 1.80 3.71] 0.28 0.14 0.30 0.19 0.12 0.27 0.11 0.39 0.11 0.20 0.09 0.34 0.14 0.31 0.10 0.23 0.14 0.33 0.24 0.10 - 20 [ 0.09 .. 0.39]
348-> LYS 56 HN - LYS 56 HD3 [ 1.80 3.49] 1.51 1.51 1.51 1.50 1.50 1.52 1.53 1.52 1.49 1.50 1.45 1.47 1.46 1.50 1.49 1.85 1.51 1.48 1.49 1.50 - 20 [ 1.45 .. 1.85]
351-> LYS 56 HN - LYS 56 HD2 [ 1.80 3.54] 0.66 0.66 0.66 0.63 0.64 0.67 0.68 0.63 0.59 0.66 0.53 0.60 0.57 0.62 0.63 1.10 0.66 0.63 0.62 0.61 - 20 [ 0.53 .. 1.10]
363-> ASN 63 HN - ASN 63 HD22 [ 1.80 5.52] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.83 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.80 - 4 [ 0.79 .. 0.83]
370-> LYS 65 HN - LYS 65 HG2 [ 1.80 4.28] 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.20 .. 0.20]
371-> LYS 65 HN - LYS 65 HG3 [ 1.80 4.28] 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.20 .. 0.20]
372-> VAL 66 HN - VAL 66 HB [ 1.80 3.13] 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.53 .. 0.53]
380-> LYS 68 HN - LYS 68 HD3 [ 1.80 5.02] 0.00 0.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.93 .. 0.93]
385-> TYR 70 HN - TYR 70 HD* [ 1.80 3.92] 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.24 .. 0.25]
388-> LEU 73 HN - LEU 73 HG [ 1.80 3.77] 0.71 0.70 0.70 0.68 0.70 0.69 0.68 0.67 0.69 0.72 0.71 0.69 0.72 0.71 0.69 0.70 0.70 0.71 0.72 0.69 - 20 [ 0.67 .. 0.72]
398-> LYS 78 HN - LYS 78 HB3 [ 1.80 3.47] 0.24 0.19 0.25 0.23 0.23 0.20 0.24 0.23 0.26 0.23 0.25 0.03 0.24 0.21 0.25 0.25 0.20 0.18 0.25 0.23 - 20 [ 0.03 .. 0.26]
401-> LYS 78 HN - LEU 79 HG [ 1.80 5.65] 0.00 1.20 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.06 1.06 0.00 0.00 - 5 [ 0.97 .. 1.20]
406-> LEU 79 HN - LEU 79 HG [ 1.80 3.40] 0.00 1.08 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.07 1.06 0.00 0.00 - 5 [ 1.06 .. 1.08]
408-> LEU 79 HN - LEU 79 HD2* [ 1.80 3.69] 0.00 0.57 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.56 0.61 0.00 0.00 - 5 [ 0.55 .. 0.61]
415-> ASP 82 HN - ASP 82 HB2 [ 1.80 3.39] 0.30 0.30 0.28 0.23 0.30 0.00 0.23 0.23 0.28 0.32 0.36 0.36 0.23 0.25 0.29 0.36 0.35 0.32 0.00 0.36 - 18 [ 0.23 .. 0.36]
422-> LEU 87 HN - LEU 87 HG [ 1.80 3.69] 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 - 2 [ 0.54 .. 0.73]
470-> PRO 19 HA - GLU 22 HN [ 1.80 4.10] 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.08 .. 0.24]
474-> PRO 19 HA - LEU 23 HN [ 1.80 4.00] 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 0.00 0.00 0.00 - 1 [ 0.23 .. 0.23]
518-> LEU 12 HB2 - GLY 16 HN [ 1.80 6.58] 0.00 0.00 0.00 2.41 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 2.17 0.00 - 4 [ 0.03 .. 2.41]
519-> LEU 12 HD1* - GLY 16 HN [ 1.80 6.35] 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 - 2 [ 0.40 .. 1.25]
522-> LEU 12 HD2* - ASN 18 HN [ 1.80 5.63] 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.00 .. 1.00]
523-> ASN 18 HN - MET 21 HE* [ 1.80 5.26] 2.73 2.50 0.00 1.02 1.14 2.50 2.58 2.58 1.18 0.80 2.92 0.00 2.55 0.00 2.75 1.05 2.28 0.78 2.41 2.55 - 17 [ 0.78 .. 2.92]
528-> ASN 18 HD21 - MET 21 HE* [ 1.80 5.58] 0.68 0.00 0.00 1.12 0.00 0.18 0.79 0.00 0.00 0.00 0.72 0.00 0.30 0.00 0.54 0.00 0.00 2.06 0.71 0.00 - 10 [ 0.00 .. 2.06]
529-> ASN 18 HD21 - PRO 19 HG2 [ 1.80 6.82] 0.83 0.85 0.00 0.00 0.93 0.96 0.10 0.97 0.07 1.04 0.87 0.78 0.88 0.10 0.00 0.13 1.01 0.00 0.99 0.91 - 16 [ 0.07 .. 1.04]
531-> ASN 18 HD22 - MET 21 HE* [ 1.80 5.58] 1.20 0.67 0.50 1.20 0.28 0.89 0.87 0.69 0.10 0.50 1.32 0.76 1.04 0.00 0.57 0.38 0.71 2.50 1.87 0.72 - 19 [ 0.10 .. 2.50]
532-> ASN 18 HD22 - PRO 19 HG2 [ 1.80 6.82] 0.19 0.17 0.00 0.00 0.26 0.31 0.00 0.33 0.00 0.42 0.19 0.06 0.20 0.00 0.00 0.00 0.36 0.00 1.47 0.25 - 12 [ 0.06 .. 1.47]
549-> ASN 24 HN - LEU 30 HD1* [ 1.80 4.20] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.16 .. 0.16]
552-> ASN 24 HN - GLU 25 HG3 [ 1.80 5.52] 0.00 0.00 0.00 1.54 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 1.54 .. 1.74]
556-> ASN 24 HD22 - LEU 30 HB2 [ 1.80 5.49] 1.73 0.00 0.13 0.00 0.24 1.66 0.23 0.13 0.00 0.00 1.76 0.69 0.00 0.00 0.00 0.00 0.04 1.92 0.00 0.00 - 10 [ 0.04 .. 1.92]
557-> VAL 20 HG1* - ASN 24 HD22 [ 1.80 4.61] 1.58 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 - 4 [ 1.58 .. 1.84]
559-> ASN 24 HD21 - LEU 30 HB2 [ 1.80 6.27] 1.34 0.23 0.40 0.05 0.63 1.24 0.50 0.41 0.36 0.03 1.39 1.16 0.00 0.38 0.28 0.27 0.53 1.56 0.36 0.22 - 19 [ 0.03 .. 1.56]
560-> VAL 20 HG1* - ASN 24 HD21 [ 1.80 4.26] 1.39 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 - 4 [ 1.39 .. 1.77]
570-> ARG 28 HN - LEU 30 HD2* [ 1.80 4.91] 0.11 0.00 0.00 0.00 0.00 0.06 0.00 0.04 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.13 0.00 0.00 - 5 [ 0.04 .. 0.22]
571-> ARG 28 HN - LEU 30 HD1* [ 1.80 5.93] 0.06 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 - 3 [ 0.06 .. 0.13]
574-> LEU 30 HN - VAL 50 HG2* [ 1.80 5.98] 0.00 0.00 0.00 0.00 1.79 0.00 1.77 0.00 1.88 0.00 1.38 1.72 0.00 1.82 1.75 1.57 0.00 0.00 1.55 1.82 - 10 [ 1.38 .. 1.88]
577-> LYS 31 HN - VAL 50 HG2* [ 1.80 4.28] 0.00 0.00 0.00 0.00 1.22 0.00 1.13 0.00 1.25 0.00 1.14 1.13 0.00 1.18 1.19 1.30 0.00 0.00 1.31 1.39 - 10 [ 1.13 .. 1.39]
581-> LYS 31 HG3 - GLU 33 HN [ 1.80 5.18] 3.17 2.95 2.94 2.96 0.60 3.13 2.62 2.97 0.76 2.68 0.00 2.52 2.35 2.66 2.23 0.68 0.93 3.06 0.00 0.74 - 18 [ 0.60 .. 3.17]
582-> GLU 33 HN - LYS 68 HG2 [ 1.80 6.56] 0.00 0.26 0.60 0.90 0.21 0.00 0.00 0.00 0.39 0.70 0.43 0.00 0.00 0.56 0.00 0.00 0.90 0.00 0.00 0.00 - 9 [ 0.21 .. 0.90]
583-> GLU 33 HN - ILE 35 HD1* [ 1.80 6.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.31 - 3 [ 0.14 .. 0.41]
599-> GLY 40 HN - LYS 44 HN [ 1.80 6.67] 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.17 - 3 [ 0.17 .. 0.33]
606-> ILE 35 HG12 - MET 48 HN [ 1.80 4.96] 1.90 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.12 0.00 1.52 1.88 0.00 0.00 0.00 0.00 0.00 1.58 1.02 - 7 [ 0.12 .. 1.90]
621-> ILE 35 HG12 - GLU 49 HN [ 1.80 4.49] 0.46 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.45 0.81 0.00 0.00 0.00 0.00 0.00 0.59 0.09 - 6 [ 0.09 .. 0.81]
630-> VAL 50 HN - LYS 56 HA [ 1.80 4.75] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.32 .. 0.32]
634-> LEU 30 HB3 - GLU 51 HN [ 1.80 4.98] 0.41 0.00 0.21 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.46 0.00 0.00 - 5 [ 0.21 .. 0.46]
635-> GLU 51 HN - LYS 56 HE2 [ 1.80 6.82] 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 0.00 0.00 - 1 [ 0.42 .. 0.42]
636-> GLU 51 HN - LYS 56 HE3 [ 1.80 6.82] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.21 0.00 1.39 0.07 0.32 0.00 0.10 0.33 0.00 0.00 0.00 0.40 - 8 [ 0.05 .. 1.39]
643-> VAL 52 HN - PHE 57 HZ [ 1.80 6.63] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.53 .. 0.53]
644-> VAL 52 HN - LYS 56 HD2 [ 1.80 6.16] 0.65 0.69 0.64 1.04 0.96 0.64 0.93 1.24 1.19 1.01 1.64 1.33 1.29 0.82 1.32 1.14 0.64 0.60 1.03 1.29 - 20 [ 0.60 .. 1.64]
646-> VAL 52 HN - LEU 79 HD1* [ 1.80 5.98] 0.00 0.50 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 0.76 0.51 0.00 0.00 - 4 [ 0.49 .. 0.76]
647-> VAL 50 HG2* - VAL 52 HN [ 1.80 6.15] 0.00 0.00 0.00 0.00 0.13 0.00 0.17 0.00 0.11 0.00 0.29 0.26 0.00 0.11 0.22 0.14 0.00 0.00 0.11 0.19 - 10 [ 0.11 .. 0.29]
649-> ASP 53 HN - LEU 79 HD1* [ 1.80 5.61] 0.00 1.21 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 1.55 0.85 0.00 0.00 - 5 [ 0.70 .. 1.55]
655-> GLY 54 HN - GLN 55 HG3 [ 1.80 5.32] 1.23 1.22 1.28 0.97 0.85 1.13 1.05 0.96 1.05 0.99 0.83 1.16 1.15 1.22 0.95 1.04 1.22 1.24 0.98 1.01 - 20 [ 0.83 .. 1.28]
656-> GLN 55 HN - LYS 56 HD2 [ 1.80 5.67] 2.00 1.94 1.96 1.79 1.58 2.00 1.81 1.88 1.90 1.75 1.78 2.35 2.07 1.82 1.98 2.14 2.01 2.20 1.75 1.84 - 20 [ 1.58 .. 2.35]
658-> GLN 55 HN - LEU 79 HD1* [ 1.80 5.33] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.40 .. 0.40]
660-> GLN 55 HN - PHE 57 HE* [ 1.80 4.65] 0.00 0.00 0.00 0.00 0.18 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.01 0.00 0.00 0.00 0.03 0.00 - 5 [ 0.01 .. 0.19]
663-> GLN 55 HE22 - LEU 79 HG [ 1.80 6.38] 1.97 2.32 2.37 1.89 0.06 2.42 1.59 2.15 1.97 1.73 1.28 3.06 1.72 2.49 1.77 2.20 2.73 3.57 1.63 1.52 - 20 [ 0.06 .. 3.57]
664-> GLN 55 HE22 - LEU 79 HD2* [ 1.80 3.72] 1.98 2.40 2.35 1.83 0.22 2.47 1.58 2.22 1.93 1.77 1.33 4.48 1.79 2.90 1.70 2.13 2.81 3.00 1.53 1.51 - 20 [ 0.22 .. 4.48]
665-> GLN 55 HE21 - LEU 79 HD2* [ 1.80 4.10] 0.93 1.15 1.30 0.88 0.00 1.14 0.69 1.03 1.05 0.99 0.61 3.33 0.74 1.64 0.80 0.81 1.58 1.64 0.69 0.75 - 19 [ 0.61 .. 3.33]
666-> ASP 53 HB3 - GLN 55 HE21 [ 1.80 5.43] 0.18 0.08 0.38 0.00 1.68 0.05 0.00 0.03 0.00 0.00 0.07 4.04 0.00 0.21 0.00 0.00 0.15 2.96 0.00 0.00 - 11 [ 0.03 .. 4.04]
667-> ASP 53 HB2 - GLN 55 HE21 [ 1.80 5.43] 1.96 1.86 2.16 0.00 0.94 1.83 1.47 0.03 1.43 1.45 0.00 2.84 1.73 1.99 0.00 1.45 1.93 4.16 1.34 1.57 - 17 [ 0.03 .. 4.16]
668-> ASP 53 HB3 - GLN 55 HE22 [ 1.80 5.32] 1.91 1.83 2.12 1.67 3.06 1.79 1.46 1.86 1.41 1.44 1.91 4.79 1.70 1.95 1.70 1.41 1.88 3.98 1.34 1.57 - 20 [ 1.34 .. 4.79]
669-> ASP 53 HB2 - GLN 55 HE22 [ 1.80 5.32] 3.66 3.60 3.88 1.57 2.47 3.54 3.22 1.74 3.18 3.22 1.33 3.81 3.47 3.72 1.62 3.19 3.65 5.36 3.11 3.35 - 20 [ 1.33 .. 5.36]
683-> VAL 50 HG1* - GLN 58 HN [ 1.80 6.54] 0.00 0.00 0.00 0.00 0.70 0.00 0.68 0.00 0.75 0.00 0.37 0.66 0.00 0.68 0.60 0.66 0.00 0.00 0.67 0.56 - 10 [ 0.37 .. 0.75]
690-> ILE 35 HG13 - GLN 58 HE21 [ 1.80 4.75] 1.28 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 1.05 1.24 0.00 0.00 0.00 0.00 0.02 0.91 0.54 - 7 [ 0.02 .. 1.35]
691-> ILE 35 HG2* - GLN 58 HE21 [ 1.80 4.08] 1.53 0.80 0.71 0.29 0.36 1.64 0.57 0.72 0.33 0.27 0.15 1.50 1.49 0.81 0.75 0.72 1.05 0.83 1.36 0.83 - 20 [ 0.15 .. 1.64]
692-> ILE 35 HD1* - GLN 58 HE21 [ 1.80 3.95] 0.00 0.43 0.29 0.00 0.17 0.00 0.52 0.00 0.00 0.49 0.00 0.00 0.00 0.63 0.05 0.26 0.48 0.68 0.00 0.00 - 10 [ 0.05 .. 0.68]
693-> ILE 35 HG13 - GLN 58 HE22 [ 1.80 5.07] 1.51 0.03 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 0.00 0.00 0.14 0.29 1.18 0.86 - 9 [ 0.03 .. 1.62]
694-> ILE 35 HG2* - GLN 58 HE22 [ 1.80 4.07] 1.13 0.57 0.52 0.00 0.00 1.31 0.42 0.30 0.00 0.01 0.00 1.28 1.13 0.58 0.47 0.49 0.87 0.68 0.96 0.43 - 16 [ 0.01 .. 1.31]
695-> ILE 35 HD1* - GLN 58 HE22 [ 1.80 4.61] 0.00 0.33 0.23 0.00 0.00 0.00 0.52 0.00 0.00 0.45 0.00 0.00 0.00 0.56 0.00 0.18 0.41 0.64 0.00 0.00 - 8 [ 0.18 .. 0.64]
696-> ILE 35 HG12 - GLN 58 HE22 [ 1.80 6.26] 0.00 0.56 0.48 0.00 0.02 0.00 0.44 0.06 0.00 0.07 0.00 0.00 0.00 0.51 0.40 0.35 0.63 0.84 0.00 0.00 - 11 [ 0.02 .. 0.84]
697-> GLU 49 HB2 - GLN 58 HE22 [ 1.80 4.69] 0.11 0.29 0.34 0.11 0.04 0.27 0.38 0.17 0.16 0.17 0.00 0.39 0.31 0.18 0.26 0.31 0.39 0.31 0.24 0.33 - 19 [ 0.04 .. 0.39]
699-> GLY 59 HN - ALA 67 HB* [ 1.80 5.27] 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 - 2 [ 0.08 .. 0.13]
711-> ALA 60 HN - TYR 70 HB2 [ 1.80 4.35] 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
715-> GLY 61 HN - VAL 66 HG1* [ 1.80 5.26] 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.50 .. 1.50]
716-> VAL 47 HG2* - GLY 61 HN [ 1.80 4.98] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
720-> ASN 63 HN - VAL 66 HB [ 1.80 3.49] 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.32 .. 1.32]
722-> ASN 63 HN - VAL 66 HG1* [ 1.80 4.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.10 .. 0.40]
724-> GLY 61 HA3 - ASN 63 HN [ 1.80 4.65] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.48 .. 0.48]
725-> ASN 63 HD21 - VAL 66 HB [ 1.80 5.71] 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.04 .. 0.19]
726-> ASN 63 HD21 - VAL 66 HG2* [ 1.80 3.97] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.07 .. 0.35]
727-> ASN 63 HD22 - VAL 66 HB [ 1.80 5.01] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.74 - 4 [ 0.74 .. 1.92]
728-> ASN 63 HD22 - VAL 66 HG2* [ 1.80 3.66] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 1.67 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.40 - 4 [ 0.34 .. 1.67]
729-> ASN 63 HD22 - VAL 66 HG1* [ 1.80 5.32] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 1.25 2.28 1.43 0.00 0.00 0.00 0.00 0.00 0.00 1.26 - 5 [ 0.21 .. 2.28]
733-> ASN 63 HD22 - VAL 66 HN [ 1.80 5.29] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.72 .. 0.72]
735-> ASN 63 HN - LYS 65 HN [ 1.80 5.49] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.17 - 3 [ 0.07 .. 0.17]
745-> MET 48 HG2 - LYS 68 HN [ 1.80 4.94] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.35 .. 0.35]
747-> VAL 20 HG2* - LYS 68 HN [ 1.80 5.16] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.29 0.00 0.00 0.00 0.20 0.00 0.00 0.20 0.00 0.00 0.00 - 4 [ 0.13 .. 0.29]
749-> PRO 19 HG2 - ALA 69 HN [ 1.80 5.46] 0.39 0.24 0.58 0.55 0.02 0.64 1.14 0.41 0.12 0.16 0.69 0.29 0.36 0.23 0.00 0.09 0.08 0.21 0.52 0.42 - 19 [ 0.02 .. 1.14]
752-> VAL 66 HG1* - TYR 70 HN [ 1.80 5.01] 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.71 .. 0.71]
753-> TYR 70 HN - LEU 73 HD1* [ 1.80 4.94] 1.95 1.65 1.60 1.80 1.72 1.70 2.11 1.58 1.55 1.66 1.80 1.75 1.90 1.67 1.80 1.67 1.58 2.02 2.12 1.80 - 20 [ 1.55 .. 2.12]
755-> TYR 70 HN - LEU 73 HB2 [ 1.80 5.39] 0.10 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.18 0.28 0.00 - 5 [ 0.03 .. 0.28]
756-> PRO 19 HG2 - TYR 70 HN [ 1.80 5.81] 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.54 .. 0.54]
758-> TYR 32 HE* - ALA 71 HN [ 1.80 6.68] 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.07 .. 0.22]
763-> ALA 71 HN - LEU 73 HD1* [ 1.80 6.82] 0.41 0.26 0.17 0.23 0.27 0.29 0.54 0.13 0.14 0.18 0.33 0.29 0.45 0.22 0.22 0.22 0.16 0.49 0.57 0.29 - 20 [ 0.13 .. 0.57]
765-> VAL 50 HG1* - ALA 71 HN [ 1.80 6.19] 0.00 0.00 0.00 0.00 0.26 0.00 0.25 0.00 0.41 0.00 0.10 0.12 0.00 0.27 0.24 0.42 0.00 0.00 0.06 0.14 - 10 [ 0.06 .. 0.42]
767-> PRO 19 HG2 - ALA 71 HN [ 1.80 6.82] 0.00 0.02 0.00 0.45 0.00 0.56 1.03 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.25 0.07 - 7 [ 0.02 .. 1.03]
770-> ALA 72 HN - LEU 73 HB2 [ 1.80 4.84] 0.08 0.02 0.14 0.21 0.16 0.07 0.21 0.09 0.01 0.09 0.18 0.12 0.14 0.14 0.13 0.12 0.02 0.08 0.20 0.17 - 20 [ 0.01 .. 0.21]
777-> TYR 32 HD* - ALA 72 HN [ 1.80 5.73] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 - 1 [ 0.16 .. 0.16]
778-> TYR 32 HE* - ALA 72 HN [ 1.80 4.06] 0.00 0.06 0.00 0.00 0.45 0.00 0.44 0.33 0.33 0.07 0.65 0.54 0.00 0.22 0.29 0.24 0.00 0.00 0.69 0.49 - 13 [ 0.06 .. 0.69]
783-> VAL 50 HG1* - ALA 75 HN [ 1.80 4.65] 0.00 0.00 0.00 0.00 0.54 0.00 0.99 0.00 0.62 0.00 0.26 1.02 0.00 1.06 0.44 0.77 0.00 0.00 0.84 0.58 - 10 [ 0.26 .. 1.06]
791-> LYS 78 HN - LEU 79 HD2* [ 1.80 5.59] 0.00 0.56 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.49 0.47 0.00 0.00 - 5 [ 0.36 .. 0.56]
797-> LYS 78 HB3 - PHE 80 HN [ 1.80 5.36] 0.60 0.30 0.73 0.45 0.49 0.28 0.68 0.72 0.65 0.62 0.59 0.00 0.61 0.12 0.67 0.61 0.28 0.43 0.56 0.71 - 19 [ 0.12 .. 0.73]
803-> ASP 82 HN - THR 83 HG2* [ 1.80 6.12] 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 0.32 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.12 .. 0.32]
807-> PRO 81 HA - THR 83 HN [ 1.80 4.89] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.46 0.00 - 2 [ 0.03 .. 0.46]
809-> ARG 27 HE - PHE 80 HZ [ 1.80 5.95] 0.65 0.28 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.02 0.00 0.00 - 5 [ 0.02 .. 0.65]
810-> ARG 27 HE - GLN 55 HE22 [ 1.80 6.43] 7.22 7.41 7.09 4.53 5.54 7.19 4.23 5.19 4.13 4.19 4.86 6.50 7.65 4.03 4.49 4.13 6.54 8.62 4.12 4.24 - 20 [ 4.03 .. 8.62]
816-> ALA 86 HB* - ASP 88 HN [ 1.80 4.51] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 - 2 [ 0.05 .. 0.44]
840-> GLY 61 HA3 - VAL 66 HG1* [ 1.80 3.85] 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 [ 0.98 .. 0.98]
842-> LYS 14 HA - LYS 14 HD2 [ 1.80 4.39] 0.00 0.30 0.00 0.00 0.30 0.33 0.29 0.00 0.00 0.00 0.00 0.27 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.28 - 7 [ 0.27 .. 0.33]
843-> LYS 14 HA - LYS 14 HD3 [ 1.80 4.39] 0.30 0.00 0.32 0.00 0.00 0.00 0.00 0.31 0.30 0.00 0.28 0.00 0.00 0.27 0.29 0.31 0.32 0.28 0.31 0.00 - 11 [ 0.27 .. 0.32]
863-> MET 21 HN - MET 21 HG2 [ 1.80 3.96] 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.48 .. 0.48]
865-> MET 21 HN - MET 21 HG3 [ 1.80 3.96] 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.52 .. 0.53]
868-> MET 21 HB2 - MET 21 HE* [ 1.80 2.99] 0.55 0.54 0.17 0.53 0.10 0.55 0.53 0.54 0.06 0.02 0.55 0.09 0.54 0.14 0.53 0.09 0.53 0.55 0.54 0.54 - 20 [ 0.02 .. 0.55]
900-> ARG 28 HA - ARG 28 HD3 [ 1.80 4.59] 0.00 0.05 0.13 0.07 0.14 0.00 0.00 0.00 0.10 0.05 0.06 0.19 0.00 0.23 0.12 0.07 0.13 0.07 0.00 0.06 - 14 [ 0.05 .. 0.23]
901-> ARG 28 HN - ARG 28 HD2 [ 1.80 5.42] 0.63 0.00 0.00 0.00 0.00 0.62 0.00 0.65 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.67 0.00 - 5 [ 0.62 .. 0.67]
902-> ARG 28 HA - ARG 28 HD2 [ 1.80 4.59] 0.03 0.00 0.00 0.00 0.00 0.03 0.11 0.02 0.00 0.00 0.00 0.15 0.04 0.18 0.00 0.00 0.00 0.00 0.05 0.00 - 8 [ 0.02 .. 0.18]
918-> LYS 31 HG3 - GLU 33 HB3 [ 1.80 4.37] 5.68 5.09 5.03 5.11 2.03 5.57 4.66 5.15 0.02 4.87 1.12 4.58 4.67 4.61 4.56 2.12 2.54 5.49 0.69 0.01 - 20 [ 0.01 .. 5.68]
939-> ILE 35 HG12 - VAL 47 HG1* [ 1.80 4.23] 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.11 .. 0.20]
940-> ILE 35 HA - ILE 35 HD1* [ 1.80 3.26] 0.57 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.55 0.57 0.00 0.00 0.00 0.00 0.00 0.56 0.57 - 6 [ 0.55 .. 0.57]
941-> ILE 35 HD1* - GLU 49 HB3 [ 1.80 3.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 - 1 [ 0.19 .. 0.19]
949-> LYS 44 HA - LYS 44 HD2 [ 1.80 4.06] 0.61 0.00 0.61 0.59 0.58 0.61 0.60 0.00 0.59 0.57 0.60 0.58 0.63 0.00 0.00 0.65 0.00 0.61 0.61 0.00 - 14 [ 0.57 .. 0.65]
950-> LYS 44 HA - LYS 44 HD3 [ 1.80 4.06] 0.29 0.00 0.23 0.31 0.18 0.19 0.23 0.00 0.34 0.24 0.23 0.22 0.24 0.00 0.00 0.29 0.00 0.25 0.30 0.00 - 14 [ 0.18 .. 0.34]
951-> LYS 31 HG2 - GLU 33 HB3 [ 1.80 4.29] 4.95 4.36 4.38 4.31 0.94 4.85 3.94 4.33 0.00 4.06 0.38 3.84 4.09 3.80 3.70 0.89 1.30 4.75 1.63 0.00 - 18 [ 0.38 .. 4.95]
956-> LYS 44 HB3 - LYS 44 HE2 [ 1.80 5.38] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 - 1 [ 0.13 .. 0.13]
970-> MET 48 HB3 - MET 48 HE* [ 1.80 3.66] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.37 .. 0.37]
971-> MET 48 HB2 - MET 48 HE* [ 1.80 4.05] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.26 .. 0.26]
972-> MET 48 HG3 - MET 48 HE* [ 1.80 3.27] 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 0.12 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.12 .. 0.12]
987-> ARG 27 HE - ASP 53 HB3 [ 1.80 5.48] 1.27 1.25 1.02 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.87 1.23 0.00 0.00 - 7 [ 0.87 .. 1.75]
990-> GLN 55 HN - GLN 55 HG2 [ 1.80 4.40] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 - 2 [ 0.40 .. 0.43]
998-> LYS 56 HB2 - LYS 56 HD3 [ 1.80 2.86] 0.24 0.24 0.25 0.21 0.23 0.25 0.21 0.22 0.21 0.24 0.17 0.25 0.20 0.20 0.22 0.28 0.25 0.23 0.23 0.22 - 20 [ 0.17 .. 0.28]
1042-> LYS 68 HB2 - LYS 68 HD3 [ 1.80 3.74] 0.00 0.10 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.10 .. 0.11]
1053-> LYS 68 HB3 - LYS 68 HE3 [ 1.80 3.99] 0.68 0.00 0.72 0.70 0.00 0.00 0.00 0.00 0.71 0.71 0.00 0.00 0.68 0.72 0.00 0.69 0.70 0.00 0.00 0.00 - 9 [ 0.68 .. 0.72]
1056-> TYR 70 HN - TYR 70 HE* [ 1.80 5.61] 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.62 .. 0.63]
1059-> LEU 73 HA - LEU 73 HD2* [ 1.80 3.29] 0.57 0.58 0.58 0.57 0.58 0.59 0.58 0.60 0.59 0.56 0.58 0.58 0.57 0.56 0.57 0.59 0.58 0.58 0.57 0.59 - 20 [ 0.56 .. 0.60]
1061-> LEU 73 HB2 - LEU 73 HG [ 1.80 2.75] 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.28 0.28 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 - 20 [ 0.28 .. 0.29]
1063-> LEU 23 HA - LYS 26 HG2 [ 1.80 3.54] 0.00 0.00 0.00 0.25 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.17 .. 0.25]
1082-> GLU 77 HN - GLU 77 HG2 [ 1.80 4.05] 0.00 0.47 0.00 0.49 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.49 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.51 - 6 [ 0.44 .. 0.53]
1083-> GLU 77 HN - GLU 77 HG3 [ 1.80 4.05] 0.00 0.41 0.00 0.35 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.37 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.32 - 6 [ 0.31 .. 0.43]
1084-> GLU 22 HA - GLU 25 HG3 [ 1.80 4.09] 0.00 0.00 0.00 1.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 1.00 .. 1.45]
1089-> LYS 78 HB3 - LEU 79 HG [ 1.80 4.47] 0.00 2.51 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 0.00 0.00 2.54 2.43 0.00 0.00 - 5 [ 2.43 .. 2.66]
1090-> PHE 57 HE* - LYS 78 HG3 [ 1.80 3.85] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 - 2 [ 0.04 .. 0.11]
1094-> LYS 78 HB3 - LYS 78 HD2 [ 1.80 2.75] 0.00 0.13 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.26 0.00 0.00 0.24 0.21 0.00 0.00 - 6 [ 0.13 .. 1.04]
1095-> LYS 78 HD2 - LEU 79 HG [ 1.80 4.43] 1.85 4.31 1.88 2.08 1.79 4.24 1.79 1.85 1.88 1.83 1.67 2.14 1.80 4.50 1.92 1.84 4.30 4.35 1.85 2.04 - 20 [ 1.67 .. 4.50]
1097-> LYS 78 HB3 - LYS 78 HD3 [ 1.80 3.26] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.39 .. 0.39]
1101-> LEU 79 HA - LEU 79 HD2* [ 1.80 3.01] 0.00 0.81 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.82 0.82 0.00 0.00 - 5 [ 0.81 .. 0.83]
1117-> LEU 85 HN - LEU 85 HG [ 1.80 4.40] 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.11 0.08 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.04 .. 0.11]
1123-> LYS 91 HN - LYS 91 HE2 [ 1.80 6.82] 0.00 0.00 0.00 0.14 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.23 0.00 0.00 0.13 0.00 0.00 0.00 - 5 [ 0.06 .. 0.23]
1124-> LYS 91 HN - LYS 91 HE3 [ 1.80 6.82] 0.00 0.00 0.00 0.26 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.30 0.00 0.00 0.26 0.00 0.00 0.00 - 5 [ 0.19 .. 0.40]
1156-> THR 38 HB - GLY 39 HN [ 1.80 4.27] 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.14 0.07 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.01 .. 0.14]
1162-> ARG 27 HE - VAL 52 HG1* [ 1.80 4.03] 1.22 1.42 1.31 0.00 0.00 1.35 0.27 0.03 0.14 0.23 0.11 0.00 1.08 0.51 0.34 0.25 1.36 1.28 0.18 0.17 - 17 [ 0.03 .. 1.42]
1173-> LYS 65 HE2 - VAL 66 HN [ 1.80 6.82] 0.00 0.33 0.34 0.30 0.37 0.40 0.32 0.32 0.28 0.32 0.54 0.45 0.49 0.29 0.35 0.26 0.28 0.30 0.33 0.48 - 19 [ 0.26 .. 0.54]
1174-> LYS 65 HE3 - VAL 66 HN [ 1.80 6.82] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.07 - 3 [ 0.04 .. 0.13]
1175-> VAL 66 HB - ALA 67 HN [ 1.80 3.74] 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.30 .. 0.30]
1200-> PRO 19 HA - GLU 22 HB2 [ 1.80 4.18] 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.07 .. 0.13]
1204-> MET 21 HA - ASN 24 HB3 [ 1.80 3.99] 0.00 0.13 0.12 0.16 0.18 0.00 0.08 0.22 0.37 0.35 0.00 0.17 0.13 0.23 0.27 0.40 0.00 0.00 0.02 0.07 - 15 [ 0.02 .. 0.40]
1221-> MET 11 HE* - TYR 70 HA [ 1.80 4.51] 0.00 0.00 0.00 2.08 0.00 0.00 0.00 2.31 0.19 2.03 0.00 0.00 0.00 0.00 2.99 0.00 0.28 0.70 0.00 0.68 - 8 [ 0.19 .. 2.99]
1223-> TYR 70 HA - LEU 73 HB2 [ 1.80 3.85] 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 - 2 [ 0.25 .. 0.34]
1232-> LEU 73 HA - LEU 76 HB3 [ 1.80 4.02] 0.00 0.00 0.16 0.00 0.00 0.00 0.01 0.34 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.00 .. 0.34]
1234-> ALA 74 HA - GLU 77 HB2 [ 1.80 4.26] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.78 .. 0.78]
1240-> ALA 75 HA - LYS 78 HB3 [ 1.80 4.15] 0.89 1.02 1.06 1.26 0.88 0.88 1.02 1.35 1.03 0.99 1.00 0.71 0.93 1.09 0.99 1.06 0.63 0.92 1.00 1.23 - 20 [ 0.63 .. 1.35]
1241-> LEU 76 HA - PHE 80 HD* [ 1.80 3.48] 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 0.37 0.00 0.00 - 2 [ 0.13 .. 0.37]
1242-> MET 11 HE* - VAL 66 HA [ 1.80 4.91] 1.53 0.73 0.00 0.00 0.00 0.00 2.19 5.89 2.51 0.00 2.19 0.11 0.00 0.00 2.24 0.66 1.63 2.39 2.46 3.01 - 13 [ 0.11 .. 5.89]
1243-> MET 11 HE* - LEU 73 HD1* [ 1.80 4.63] 0.00 0.00 0.00 2.69 1.46 0.00 0.00 0.00 0.00 2.82 0.00 0.00 0.00 0.97 2.88 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.97 .. 2.88]
1244-> MET 11 HE* - VAL 66 HG2* [ 1.80 4.84] 1.25 0.80 0.00 0.00 0.00 0.01 1.99 5.06 1.87 0.00 1.99 0.55 0.01 0.00 0.67 0.72 1.42 1.97 2.21 2.62 - 15 [ 0.01 .. 5.06]
1245-> MET 11 HG3 - TYR 70 HE* [ 1.80 6.82] 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.85 .. 0.85]
1247-> MET 11 HE* - TYR 70 HN [ 1.80 5.42] 0.00 0.00 0.00 0.36 0.00 0.00 0.20 3.62 0.87 0.49 0.57 0.00 0.00 0.00 2.43 0.00 0.67 1.13 0.38 1.46 - 11 [ 0.20 .. 3.62]
1248-> LEU 12 HD2* - LYS 17 HN [ 1.80 5.71] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.46 .. 0.46]
1249-> HIS 10 HD2 - LEU 12 HD2* [ 1.80 6.70] 0.00 0.00 0.69 0.00 0.00 1.77 0.00 0.00 0.00 2.17 0.00 0.09 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.09 .. 2.17]
1250-> LEU 12 HD2* - ASN 18 HA [ 1.80 4.14] 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.23 .. 1.23]
1255-> MET 11 HA - LEU 12 HD1* [ 1.80 5.16] 0.00 0.00 0.53 0.52 0.00 0.30 0.00 0.00 0.02 1.05 0.00 0.08 0.26 0.33 0.00 0.00 0.00 0.06 0.00 0.00 - 9 [ 0.02 .. 1.05]
1256-> LEU 12 HD1* - GLY 16 HA3 [ 1.80 4.38] 0.00 0.00 0.00 2.39 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 1.50 0.00 - 4 [ 0.68 .. 2.39]
1257-> HIS 10 HB2 - LEU 12 HD1* [ 1.80 6.82] 0.00 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 0.00 0.00 0.00 0.00 0.20 0.00 - 2 [ 0.20 .. 0.25]
1258-> HIS 10 HB3 - LEU 12 HD1* [ 1.80 6.82] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.79 .. 0.79]
1259-> LEU 12 HD2* - GLY 16 HA3 [ 1.80 5.39] 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.31 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.24 .. 1.98]
1263-> LEU 12 HD2* - ASN 18 HB2 [ 1.80 5.01] 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 - 3 [ 0.05 .. 2.21]
1266-> THR 13 HG2* - PRO 19 HA [ 1.80 3.51] 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 1.00 0.00 1.01 0.00 0.00 0.02 0.00 1.34 0.00 0.00 0.00 - 5 [ 0.02 .. 1.34]
1267-> THR 13 HB - LEU 73 HD2* [ 1.80 5.41] 0.10 0.18 1.18 0.09 0.08 2.06 0.00 0.67 0.00 0.64 1.39 0.00 0.50 0.16 0.00 0.24 0.38 0.13 0.00 0.11 - 15 [ 0.08 .. 2.06]
1268-> THR 13 HB - LEU 76 HD1* [ 1.80 5.90] 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 0.00 - 1 [ 0.22 .. 0.22]
1269-> THR 13 HG2* - LEU 73 HD2* [ 1.80 3.83] 0.13 0.01 1.00 0.00 0.00 2.08 0.89 0.17 0.00 1.47 0.92 0.00 0.00 0.00 0.23 0.55 0.32 0.00 1.18 0.00 - 12 [ 0.01 .. 2.08]
1271-> THR 13 HA - LEU 73 HG [ 1.80 5.72] 1.09 0.65 1.16 0.00 1.70 2.81 0.19 0.00 0.00 0.36 1.38 2.46 2.34 0.82 0.00 1.30 1.08 1.28 0.00 0.00 - 14 [ 0.19 .. 2.81]
1272-> LEU 12 HN - THR 13 HG2* [ 1.80 6.51] 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.00 .. 0.32]
1275-> LEU 12 HD1* - GLY 16 HA2 [ 1.80 4.38] 0.00 0.00 0.00 1.18 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 - 3 [ 0.43 .. 1.18]
1276-> LEU 12 HD2* - GLY 16 HA2 [ 1.80 5.39] 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 0.66 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.66 .. 0.66]
1279-> ASN 18 HB2 - MET 21 HE* [ 1.80 4.32] 2.05 1.62 0.00 1.33 0.41 1.75 1.46 1.66 0.07 0.37 2.27 0.38 1.84 0.00 1.46 0.21 1.47 1.92 1.57 1.66 - 18 [ 0.07 .. 2.27]
1280-> ASN 18 HB3 - MET 21 HE* [ 1.80 4.93] 0.59 0.33 0.00 0.13 0.00 0.37 0.27 0.38 0.00 0.00 0.78 0.00 0.46 0.00 0.31 0.00 0.18 0.50 2.34 0.37 - 13 [ 0.13 .. 2.34]
1285-> LEU 12 HA - PRO 19 HD2 [ 1.80 5.01] 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.38 .. 0.38]
1290-> LEU 12 HD2* - PRO 19 HD2 [ 1.80 5.35] 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]
1297-> PRO 19 HG3 - ALA 69 HA [ 1.80 5.03] 0.25 0.17 0.44 0.45 0.02 0.41 0.64 0.05 0.07 0.00 0.33 0.13 0.14 0.30 0.00 0.00 0.10 0.00 0.13 0.10 - 16 [ 0.02 .. 0.64]
1298-> PRO 19 HB2 - LEU 76 HD1* [ 1.80 4.11] 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.12 .. 0.12]
1301-> THR 13 HG2* - PRO 19 HG2 [ 1.80 5.02] 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 - 3 [ 0.59 .. 1.07]
1303-> PRO 19 HG3 - ALA 72 HB* [ 1.80 5.15] 0.00 0.00 0.00 0.27 0.03 0.18 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.00 .. 0.27]
1304-> PRO 19 HG2 - ALA 72 HB* [ 1.80 4.85] 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 0.00 0.00 0.00 0.00 - 1 [ 0.29 .. 0.29]
1311-> VAL 20 HG1* - LYS 68 HB3 [ 1.80 5.08] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.46 0.00 0.00 0.00 0.26 0.00 0.00 0.42 0.00 0.00 0.00 - 4 [ 0.13 .. 0.46]
1324-> ASN 18 HB3 - MET 21 HB3 [ 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 0.72 0.00 - 1 [ 0.72 .. 0.72]
1329-> VAL 20 HG1* - MET 21 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 0.12 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.12 .. 0.12]
1330-> VAL 20 HG1* - MET 21 HG2 [ 1.80 5.28] 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.67 .. 0.78]
1334-> THR 13 HG2* - GLU 22 HB3 [ 1.80 5.16] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 - 2 [ 0.04 .. 1.35]
1337-> THR 13 HG2* - GLU 22 HB2 [ 1.80 5.29] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 - 2 [ 0.06 .. 1.54]
1341-> PRO 19 HA - GLU 22 HG3 [ 1.80 5.93] 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 0.00 0.00 0.00 - 1 [ 0.23 .. 0.23]
1342-> GLU 22 HG3 - LYS 26 HB2 [ 1.80 5.49] 1.04 1.51 0.00 0.61 0.40 0.79 0.00 2.76 0.32 0.44 0.00 0.36 0.75 1.46 0.18 0.27 3.39 1.30 0.00 0.49 - 16 [ 0.18 .. 3.39]
1343-> THR 13 HG2* - GLU 22 HG3 [ 1.80 5.58] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.46 .. 2.68]
1344-> GLU 22 HG3 - LEU 76 HD2* [ 1.80 4.59] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 - 2 [ 1.04 .. 1.27]
1345-> THR 13 HG2* - GLU 22 HG2 [ 1.80 5.58] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 2.38 .. 2.38]
1350-> LEU 23 HD1* - VAL 50 HG2* [ 1.80 4.95] 0.00 0.00 0.00 0.00 0.54 0.05 0.78 0.00 0.61 0.00 0.64 1.01 0.00 0.69 0.67 0.92 0.04 0.12 0.85 0.81 - 13 [ 0.04 .. 1.01]
1352-> LEU 23 HD1* - PHE 80 HD* [ 1.80 3.83] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.64 .. 0.64]
1355-> LEU 73 HD2* - GLU 77 HB3 [ 1.80 5.98] 0.28 0.00 0.24 0.04 0.24 0.14 0.29 0.00 0.15 0.46 0.00 0.00 0.29 0.00 0.22 0.07 0.00 0.03 0.28 0.05 - 14 [ 0.03 .. 0.46]
1360-> LEU 23 HA - LYS 26 HD2 [ 1.80 5.96] 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 0.00 0.00 - 1 [ 0.13 .. 0.13]
1362-> LYS 26 HE2 - PHE 80 HD* [ 1.80 5.60] 0.04 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.03 0.04 0.00 0.00 0.00 0.69 0.00 0.00 - 6 [ 0.03 .. 0.69]
1365-> LEU 23 HD1* - ARG 27 HB2 [ 1.80 4.36] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.30 .. 0.30]
1368-> LEU 23 HD1* - ARG 27 HG2 [ 1.80 4.89] 0.00 0.38 0.00 0.00 0.01 0.00 0.12 0.49 0.10 0.37 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.29 - 9 [ 0.01 .. 0.49]
1374-> LEU 30 HA - VAL 50 HG2* [ 1.80 4.64] 0.00 0.00 0.00 0.00 2.30 0.00 2.10 0.00 2.10 0.00 2.05 2.19 0.00 2.27 2.27 2.21 0.00 0.00 2.06 2.26 - 10 [ 2.05 .. 2.30]
1375-> LEU 30 HG - VAL 50 HG2* [ 1.80 5.61] 0.00 0.00 0.00 0.00 1.82 0.00 1.64 0.00 1.73 0.00 1.59 1.72 0.00 1.87 1.84 1.69 0.00 0.00 1.46 1.70 - 10 [ 1.46 .. 1.87]
1376-> ARG 27 HB2 - LEU 30 HD1* [ 1.80 4.22] 1.03 0.33 0.00 0.00 0.00 1.03 0.19 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.17 0.19 - 8 [ 0.17 .. 1.03]
1381-> LEU 30 HD2* - PHE 80 HE* [ 1.80 6.05] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.88 .. 0.88]
1384-> LEU 30 HA - LYS 31 HB3 [ 1.80 5.12] 0.50 0.56 0.51 0.54 0.00 0.58 0.57 0.57 0.00 0.51 0.00 0.55 0.57 0.53 0.54 0.00 0.00 0.51 0.00 0.00 - 13 [ 0.50 .. 0.58]
1386-> LEU 30 HB3 - LYS 31 HB3 [ 1.80 5.90] 0.53 0.21 0.49 0.16 0.00 0.42 0.27 0.12 0.00 0.24 0.00 0.23 0.31 0.25 0.22 0.00 0.00 0.49 0.00 0.00 - 13 [ 0.12 .. 0.53]
1388-> TYR 32 HA - VAL 50 HB [ 1.80 4.55] 0.00 0.00 0.00 0.00 0.49 0.00 0.38 0.00 0.46 0.00 0.72 0.11 0.00 0.19 0.44 0.29 0.00 0.00 0.57 0.61 - 10 [ 0.11 .. 0.72]
1390-> TYR 32 HB2 - MET 48 HE* [ 1.80 4.79] 0.00 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 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.49 .. 0.49]
1391-> TYR 32 HB2 - GLU 33 HB3 [ 1.80 6.82] 0.12 0.19 0.15 0.21 0.18 0.17 0.24 0.21 0.00 0.23 0.26 0.27 0.30 0.19 0.33 0.26 0.22 0.18 0.27 0.00 - 18 [ 0.12 .. 0.33]
1394-> TYR 32 HB2 - LYS 68 HG2 [ 1.80 5.15] 0.00 0.47 0.56 0.99 0.31 0.00 0.00 0.00 0.87 0.79 0.83 0.00 0.00 0.48 0.00 0.00 0.40 0.00 0.00 0.02 - 10 [ 0.02 .. 0.99]
1395-> TYR 32 HB3 - MET 48 HB2 [ 1.80 6.27] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.23 0.36 0.13 0.00 0.08 0.00 0.00 0.00 0.00 0.04 0.21 - 8 [ 0.00 .. 0.44]
1400-> TYR 32 HA - GLU 33 HB3 [ 1.80 5.35] 0.39 0.35 0.36 0.35 0.41 0.39 0.40 0.36 0.00 0.37 0.48 0.40 0.45 0.37 0.44 0.43 0.34 0.40 0.39 0.00 - 18 [ 0.34 .. 0.48]
1401-> GLU 33 HG3 - LEU 34 HA [ 1.80 5.73] 1.00 1.00 0.98 1.01 1.02 1.01 1.01 1.01 0.00 0.97 1.04 0.98 1.03 0.98 1.02 1.03 1.01 1.03 0.97 0.00 - 18 [ 0.97 .. 1.04]
1404-> GLU 33 HB2 - ILE 35 HD1* [ 1.80 4.77] 0.16 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.72 0.42 0.00 0.00 0.00 0.00 0.00 0.38 2.06 - 6 [ 0.16 .. 2.06]
1405-> GLU 33 HB3 - ILE 35 HD1* [ 1.80 5.44] 0.18 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.57 0.44 0.00 0.00 0.00 0.00 0.00 0.30 2.08 - 6 [ 0.18 .. 2.08]
1406-> GLU 33 HG3 - ILE 35 HG2* [ 1.80 5.53] 2.95 2.62 2.72 2.74 2.61 3.11 2.50 2.82 0.00 2.44 2.83 3.37 3.04 2.53 2.80 2.82 2.88 2.49 3.15 0.54 - 19 [ 0.54 .. 3.37]
1407-> GLU 33 HG3 - ILE 35 HD1* [ 1.80 5.43] 1.41 0.00 0.00 0.00 0.00 1.58 0.00 0.06 0.00 0.00 0.06 1.99 1.64 0.00 0.04 0.05 0.12 0.00 1.64 0.00 - 10 [ 0.04 .. 1.99]
1408-> LYS 31 HG3 - GLU 33 HG3 [ 1.80 6.82] 0.25 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 - 4 [ 0.05 .. 0.25]
1409-> LYS 31 HG2 - GLU 33 HG3 [ 1.80 5.91] 0.47 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 - 3 [ 0.28 .. 0.47]
1410-> GLU 33 HG2 - ILE 35 HD1* [ 1.80 5.01] 2.47 0.54 0.73 0.75 0.54 2.64 0.40 0.78 0.00 0.29 0.74 2.96 2.73 0.41 0.75 0.74 0.83 0.47 2.64 0.77 - 19 [ 0.29 .. 2.96]
1411-> LYS 31 HG3 - GLU 33 HG2 [ 1.80 6.09] 1.91 1.30 1.27 1.35 0.00 1.77 0.96 1.36 0.00 1.22 0.00 0.85 0.79 0.89 0.77 0.00 0.00 1.70 0.00 0.00 - 13 [ 0.77 .. 1.91]
1412-> LYS 31 HG2 - GLU 33 HG2 [ 1.80 5.56] 1.40 0.77 0.81 0.74 0.00 1.28 0.40 0.75 0.00 0.58 0.00 0.28 0.44 0.25 0.10 0.00 0.00 1.18 0.00 0.00 - 13 [ 0.10 .. 1.40]
1414-> LEU 34 HD2* - LYS 64 HE2 [ 1.80 5.65] 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 - 3 [ 0.05 .. 0.71]
1418-> LEU 34 HD1* - PHE 46 HB3 [ 1.80 3.70] 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.12 0.00 0.00 0.23 0.00 0.04 0.00 0.00 0.00 - 5 [ 0.04 .. 0.25]
1422-> LEU 34 HD2* - PHE 46 HE* [ 1.80 4.87] 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.01 0.00 0.00 0.00 - 5 [ 0.00 .. 0.43]
1423-> LEU 34 HD2* - PHE 46 HD* [ 1.80 4.57] 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.02 .. 0.25]
1424-> LEU 34 HD1* - PHE 46 HE* [ 1.80 4.37] 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.39 0.04 0.00 0.36 0.00 0.00 0.00 0.21 0.00 0.26 0.00 0.13 0.00 - 7 [ 0.04 .. 0.39]
1453-> ILE 35 HD1* - SER 36 HB3 [ 1.80 6.82] 0.00 0.00 0.00 0.00 0.19 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 - 2 [ 0.19 .. 0.26]
1454-> ILE 35 HD1* - GLN 58 HG3 [ 1.80 4.70] 0.00 1.09 1.06 0.42 0.99 0.00 1.18 0.62 0.58 1.30 0.85 0.00 0.00 1.34 0.78 1.03 1.22 1.36 0.00 0.00 - 14 [ 0.42 .. 1.36]
1459-> ILE 35 HG2* - GLU 49 HB2 [ 1.80 4.40] 0.60 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.45 0.60 0.00 0.00 0.00 0.00 0.00 0.50 0.06 - 6 [ 0.06 .. 0.60]
1461-> SER 36 HB2 - VAL 47 HB [ 1.80 4.14] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 - 2 [ 0.25 .. 0.28]
1462-> SER 36 HB2 - VAL 47 HG2* [ 1.80 3.69] 0.00 0.24 0.00 0.00 0.00 0.37 0.35 0.00 0.07 0.00 0.00 0.70 0.17 0.46 0.00 0.12 0.00 0.19 0.18 0.72 - 11 [ 0.07 .. 0.72]
1465-> SER 36 HB3 - VAL 47 HG2* [ 1.80 3.69] 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 - 3 [ 0.10 .. 0.79]
1468-> ILE 35 HG12 - MET 48 HB3 [ 1.80 6.08] 1.29 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.99 1.40 0.00 0.00 0.00 0.00 0.00 1.17 0.70 - 6 [ 0.70 .. 1.40]
1470-> LYS 44 HG3 - PHE 46 HE* [ 1.80 5.20] 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.72 .. 1.03]
1471-> LYS 44 HD2 - PHE 46 HE* [ 1.80 5.47] 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 - 3 [ 0.08 .. 1.45]
1472-> LYS 44 HD3 - PHE 46 HE* [ 1.80 5.47] 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 - 2 [ 0.08 .. 0.24]
1473-> GLY 40 HN - LYS 44 HA [ 1.80 5.19] 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.12 0.00 0.00 - 3 [ 0.01 .. 0.22]
1484-> ILE 35 HG12 - MET 48 HA [ 1.80 4.21] 1.09 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.80 1.19 0.00 0.00 0.00 0.00 0.00 0.94 0.62 - 6 [ 0.62 .. 1.19]
1486-> MET 48 HB3 - LYS 68 HG3 [ 1.80 4.16] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.11 0.00 0.00 0.00 0.00 - 2 [ 0.11 .. 0.46]
1487-> MET 48 HB3 - LYS 68 HG2 [ 1.80 5.19] 0.00 0.00 0.23 0.25 0.00 0.00 0.00 0.00 0.06 0.03 0.00 0.00 0.00 0.89 0.00 0.00 0.22 0.00 0.00 0.00 - 6 [ 0.03 .. 0.89]
1488-> MET 48 HB2 - LYS 68 HG2 [ 1.80 5.41] 0.00 0.03 0.30 0.17 0.00 0.00 0.00 0.00 0.24 0.16 0.00 0.00 0.00 0.76 0.00 0.00 0.23 0.00 0.00 0.00 - 7 [ 0.03 .. 0.76]
1489-> ILE 35 HG12 - MET 48 HB2 [ 1.80 5.67] 2.30 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.09 0.00 1.97 2.34 0.00 0.00 0.00 0.00 0.00 2.11 1.53 - 7 [ 0.09 .. 2.34]
1490-> MET 48 HG3 - LYS 68 HG3 [ 1.80 3.63] 0.00 0.55 0.53 0.58 0.15 0.00 0.00 0.00 0.16 0.03 0.27 0.00 0.00 2.63 0.00 0.00 0.24 0.00 0.00 0.00 - 9 [ 0.03 .. 2.63]
1492-> MET 48 HG3 - LYS 68 HD2 [ 1.80 5.48] 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.12 .. 1.23]
1493-> MET 48 HG2 - ALA 71 HB* [ 1.80 5.10] 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.26 0.00 0.41 0.00 0.00 0.00 0.11 0.48 0.00 - 5 [ 0.11 .. 0.48]
1497-> MET 48 HG2 - LYS 68 HG2 [ 1.80 6.23] 0.00 0.58 0.63 0.63 0.25 0.00 0.00 0.00 0.39 0.28 0.38 0.00 0.00 1.22 0.00 0.00 0.41 0.00 0.00 0.00 - 9 [ 0.25 .. 1.22]
1499-> MET 48 HE* - LYS 68 HD2 [ 1.80 3.10] 0.77 1.12 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.57 0.00 0.00 0.83 0.00 0.00 0.00 0.00 - 6 [ 0.57 .. 1.12]
1501-> MET 48 HE* - LYS 68 HG2 [ 1.80 3.75] 0.00 0.47 0.36 0.69 0.23 0.00 0.00 0.00 0.18 0.09 0.35 0.00 0.00 0.53 0.00 0.00 0.32 0.00 0.00 0.00 - 9 [ 0.09 .. 0.69]
1506-> TYR 32 HB3 - MET 48 HE* [ 1.80 3.90] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.78 .. 0.78]
1507-> MET 48 HE* - LYS 64 HA [ 1.80 4.29] 0.19 0.00 0.02 0.00 0.24 0.01 0.00 0.10 0.40 0.59 0.27 0.00 0.00 0.00 0.10 0.53 0.37 0.00 0.00 0.14 - 12 [ 0.01 .. 0.59]
1508-> MET 48 HE* - LYS 68 HA [ 1.80 4.50] 0.00 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 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.25 .. 0.25]
1509-> MET 48 HE* - LYS 65 HA [ 1.80 5.83] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 - 1 [ 0.36 .. 0.36]
1511-> GLU 33 HA - MET 48 HE* [ 1.80 4.49] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.60 .. 0.60]
1514-> MET 48 HG3 - ALA 71 HB* [ 1.80 5.02] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.15 0.00 - 2 [ 0.11 .. 0.15]
1515-> MET 48 HG2 - LYS 68 HB2 [ 1.80 5.87] 0.25 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.06 0.00 - 4 [ 0.02 .. 0.25]
1519-> TYR 32 HD* - MET 48 HB2 [ 1.80 5.49] 0.00 0.00 0.05 0.00 0.22 0.00 0.03 0.00 0.57 0.40 0.49 0.30 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.17 - 9 [ 0.03 .. 0.63]
1521-> TYR 32 HD* - MET 48 HG3 [ 1.80 6.26] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.41 .. 1.41]
1522-> MET 48 HG3 - ALA 69 HN [ 1.80 6.59] 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 0.21 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.21 .. 0.21]
1526-> TYR 32 HN - MET 48 HE* [ 1.80 6.52] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.51 .. 0.51]
1529-> TYR 32 HE* - MET 48 HE* [ 1.80 6.57] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.77 .. 0.77]
1530-> TYR 32 HD* - MET 48 HE* [ 1.80 4.26] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.48 .. 1.48]
1545-> ILE 35 HG2* - GLU 49 HB3 [ 1.80 5.22] 0.20 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.21 0.24 0.00 0.00 0.00 0.00 0.00 0.36 0.23 - 6 [ 0.20 .. 0.36]
1547-> GLU 49 HB2 - LYS 56 HB3 [ 1.80 5.76] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.14 .. 0.23]
1554-> ILE 35 HG13 - GLU 49 HG3 [ 1.80 5.46] 0.28 0.00 0.00 0.00 0.00 0.23 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 - 3 [ 0.16 .. 0.28]
1559-> ILE 35 HG2* - GLU 49 HG2 [ 1.80 6.58] 0.64 0.00 0.00 0.00 0.00 0.65 0.00 0.11 0.00 0.00 0.00 0.56 0.58 0.00 0.01 0.00 0.00 0.00 0.66 0.30 - 8 [ 0.01 .. 0.66]
1563-> GLU 49 HB3 - GLN 58 HG3 [ 1.80 5.10] 0.39 0.42 0.50 0.35 0.39 0.39 0.44 0.41 0.43 0.43 0.50 0.58 0.56 0.48 0.50 0.56 0.56 0.52 0.46 0.71 - 20 [ 0.35 .. 0.71]
1568-> VAL 50 HG1* - PHE 57 HA [ 1.80 5.85] 0.00 0.00 0.00 0.00 0.66 0.00 0.72 0.00 0.72 0.00 0.44 0.68 0.00 0.79 0.70 0.77 0.00 0.00 0.67 0.65 - 10 [ 0.44 .. 0.79]
1569-> VAL 50 HG2* - LYS 56 HA [ 1.80 5.67] 0.00 0.00 0.00 0.00 0.28 0.00 0.25 0.00 0.45 0.00 0.85 0.50 0.00 0.34 0.41 0.52 0.00 0.00 0.35 0.53 - 10 [ 0.25 .. 0.85]
1572-> VAL 50 HB - LYS 68 HG2 [ 1.80 6.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.73 0.00 0.00 0.00 0.00 0.73 0.37 0.65 0.00 0.00 0.16 0.39 - 7 [ 0.15 .. 0.73]
1575-> TYR 32 HB2 - VAL 50 HB [ 1.80 6.77] 0.00 0.00 0.00 0.00 0.69 0.00 0.62 0.00 0.65 0.00 1.07 0.42 0.00 0.46 0.72 0.56 0.00 0.00 0.84 0.83 - 10 [ 0.42 .. 1.07]
1576-> VAL 50 HG1* - ALA 74 HB* [ 1.80 4.84] 0.00 0.00 0.00 0.00 0.99 0.00 1.28 0.00 1.04 0.00 0.78 1.23 0.00 1.16 0.84 0.99 0.00 0.00 1.13 0.94 - 10 [ 0.78 .. 1.28]
1577-> GLU 49 HG3 - VAL 50 HG1* [ 1.80 5.13] 0.00 0.00 0.00 0.00 0.93 0.00 0.91 0.00 0.84 0.00 0.90 0.97 0.00 0.85 0.96 1.00 0.00 0.00 0.89 0.86 - 10 [ 0.84 .. 1.00]
1578-> GLU 49 HG2 - VAL 50 HG1* [ 1.80 5.41] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.12 0.15 0.00 0.00 0.00 0.00 - 5 [ 0.00 .. 0.15]
1579-> VAL 50 HG1* - PHE 57 HB2 [ 1.80 3.69] 0.00 0.00 0.00 0.00 0.79 0.00 0.86 0.00 0.76 0.00 0.27 0.66 0.00 1.03 0.80 0.80 0.00 0.00 0.74 0.67 - 10 [ 0.27 .. 1.03]
1580-> VAL 50 HG1* - PHE 57 HB3 [ 1.80 4.11] 0.00 0.00 0.00 0.00 1.84 0.00 1.89 0.00 1.81 0.00 1.27 1.67 0.00 2.00 1.82 1.84 0.00 0.00 1.77 1.69 - 10 [ 1.27 .. 2.00]
1583-> LEU 30 HB2 - VAL 50 HG2* [ 1.80 4.08] 0.00 0.00 0.00 0.00 1.80 0.00 1.73 0.00 1.79 0.00 1.43 1.70 0.00 1.85 1.83 1.71 0.12 0.00 1.48 1.75 - 11 [ 0.12 .. 1.85]
1584-> LYS 31 HB3 - VAL 50 HG2* [ 1.80 5.06] 0.00 0.00 0.00 0.21 0.90 0.00 1.25 0.11 0.90 0.08 0.00 1.05 0.00 1.05 1.08 0.53 0.00 0.00 0.88 0.96 - 12 [ 0.08 .. 1.25]
1585-> LEU 30 HB3 - VAL 50 HG2* [ 1.80 3.52] 0.00 0.00 0.00 0.00 1.62 0.00 1.44 0.00 1.51 0.00 1.40 1.52 0.00 1.64 1.58 1.43 0.00 0.00 1.33 1.55 - 10 [ 1.33 .. 1.64]
1586-> VAL 50 HG2* - VAL 52 HG2* [ 1.80 3.34] 0.00 0.00 0.00 0.00 1.05 0.00 0.90 0.00 0.89 0.00 1.16 0.91 0.00 0.77 0.97 0.70 0.00 0.00 0.87 1.10 - 10 [ 0.70 .. 1.16]
1592-> GLU 49 HA - VAL 50 HG1* [ 1.80 4.53] 0.00 0.00 0.00 0.00 0.92 0.00 0.90 0.00 0.93 0.00 0.94 0.92 0.00 0.91 0.93 0.89 0.00 0.00 0.92 0.94 - 10 [ 0.89 .. 0.94]
1596-> VAL 50 HG1* - PHE 57 HN [ 1.80 4.33] 0.00 0.00 0.00 0.00 0.01 0.00 0.04 0.00 0.14 0.00 0.08 0.11 0.00 0.07 0.08 0.22 0.00 0.00 0.06 0.10 - 10 [ 0.01 .. 0.22]
1598-> VAL 50 HG2* - GLU 51 HA [ 1.80 5.47] 0.00 0.00 0.00 0.00 0.15 0.00 0.16 0.00 0.14 0.00 0.13 0.17 0.00 0.17 0.15 0.15 0.00 0.00 0.13 0.15 - 10 [ 0.13 .. 0.17]
1604-> GLU 51 HA - LYS 56 HD2 [ 1.80 6.17] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.41 .. 0.41]
1615-> VAL 52 HA - PHE 57 HE* [ 1.80 6.13] 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 0.42 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.42 .. 0.42]
1617-> ARG 27 HN - VAL 52 HG1* [ 1.80 5.54] 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.24 .. 0.24]
1620-> VAL 52 HG1* - PHE 80 HE* [ 1.80 4.48] 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 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.49 .. 0.49]
1621-> VAL 52 HG1* - GLN 55 HE22 [ 1.80 5.87] 2.55 2.17 2.35 2.31 1.75 2.41 2.15 2.65 2.18 1.94 1.72 2.96 2.50 2.59 2.25 2.78 2.09 2.44 2.03 1.94 - 20 [ 1.72 .. 2.96]
1623-> VAL 50 HG2* - VAL 52 HA [ 1.80 6.27] 0.00 0.00 0.00 0.00 0.53 0.00 0.41 0.00 0.37 0.00 0.56 0.54 0.00 0.39 0.52 0.47 0.00 0.00 0.33 0.43 - 10 [ 0.33 .. 0.56]
1624-> VAL 52 HB - LEU 79 HD1* [ 1.80 3.69] 0.00 1.24 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.35 1.48 0.00 0.00 - 5 [ 0.77 .. 1.48]
1625-> VAL 50 HG2* - VAL 52 HB [ 1.80 6.15] 0.00 0.00 0.00 0.00 0.72 0.00 0.60 0.00 0.58 0.00 0.90 0.56 0.00 0.42 0.64 0.32 0.00 0.00 0.60 0.85 - 10 [ 0.32 .. 0.90]
1626-> ARG 27 HG3 - VAL 52 HB [ 1.80 6.20] 0.06 0.22 0.00 0.00 0.74 0.16 0.32 1.13 0.13 0.39 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.36 0.29 - 12 [ 0.06 .. 1.13]
1636-> ARG 27 HG3 - VAL 52 HG1* [ 1.80 3.58] 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.61 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.12 .. 0.61]
1638-> VAL 52 HG1* - LEU 79 HD1* [ 1.80 2.86] 0.00 1.27 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.30 1.45 0.00 0.00 - 5 [ 1.14 .. 1.45]
1639-> ASP 53 HB2 - LEU 79 HD1* [ 1.80 4.28] 0.00 0.85 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.41 0.00 0.00 1.23 0.18 0.00 0.38 - 7 [ 0.18 .. 1.23]
1643-> GLY 54 HA2 - GLN 55 HG2 [ 1.80 6.82] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 - 2 [ 1.15 .. 1.15]
1649-> GLN 55 HA - LYS 56 HD3 [ 1.80 5.56] 1.41 1.46 1.46 1.38 1.51 1.44 1.41 1.34 1.37 1.48 1.29 1.37 1.32 1.37 1.43 1.16 1.45 1.36 1.46 1.41 - 20 [ 1.16 .. 1.51]
1655-> GLN 55 HG2 - PHE 57 HZ [ 1.80 5.50] 0.00 0.00 0.00 0.00 0.05 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.07 0.00 - 4 [ 0.05 .. 0.23]
1657-> GLY 54 HN - GLN 55 HG2 [ 1.80 6.82] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 - 2 [ 0.63 .. 0.78]
1660-> GLU 49 HG3 - LYS 56 HB2 [ 1.80 5.26] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.13 .. 0.29]
1661-> GLU 51 HB3 - LYS 56 HG3 [ 1.80 4.86] 0.21 0.21 0.17 0.04 0.08 0.31 0.12 0.05 0.09 0.02 0.62 0.16 0.12 0.00 0.08 0.47 0.46 0.24 0.00 0.07 - 18 [ 0.02 .. 0.62]
1667-> GLU 51 HA - LYS 56 HD3 [ 1.80 5.96] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.21 .. 0.21]
1670-> VAL 47 HG1* - GLN 58 HA [ 1.80 4.80] 0.05 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 - 4 [ 0.03 .. 0.10]
1671-> VAL 50 HG1* - GLN 58 HA [ 1.80 6.28] 0.00 0.00 0.00 0.00 0.25 0.00 0.31 0.00 0.29 0.00 0.00 0.25 0.00 0.12 0.13 0.21 0.00 0.00 0.24 0.13 - 9 [ 0.12 .. 0.31]
1673-> GLN 58 HG3 - ALA 71 HB* [ 1.80 5.38] 0.00 0.00 0.08 0.01 0.00 0.00 0.00 0.17 0.19 0.16 0.00 0.00 0.00 0.00 0.10 0.34 0.34 0.00 0.00 0.00 - 8 [ 0.01 .. 0.34]
1675-> ILE 35 HG13 - GLN 58 HG3 [ 1.80 5.90] 1.27 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.99 1.28 0.00 0.00 0.00 0.00 0.00 0.83 0.30 - 6 [ 0.30 .. 1.28]
1676-> ILE 35 HG2* - GLN 58 HG3 [ 1.80 5.24] 1.74 0.97 0.97 0.40 0.66 1.75 0.87 0.80 0.57 0.83 0.76 1.73 1.78 1.16 0.84 0.96 1.28 1.09 1.45 0.86 - 20 [ 0.40 .. 1.78]
1680-> VAL 47 HG1* - GLN 58 HG2 [ 1.80 4.36] 0.59 0.33 0.35 0.00 0.03 0.58 0.37 0.27 0.02 0.00 0.06 0.59 0.51 0.32 0.32 0.46 0.24 0.54 0.44 0.74 - 18 [ 0.02 .. 0.74]
1683-> GLU 49 HN - GLN 58 HG3 [ 1.80 6.75] 0.07 0.16 0.26 0.00 0.00 0.16 0.15 0.10 0.07 0.05 0.00 0.26 0.29 0.16 0.12 0.12 0.27 0.23 0.11 0.22 - 17 [ 0.05 .. 0.29]
1696-> GLY 59 HA2 - TYR 70 HB2 [ 1.80 4.41] 0.07 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.07 .. 0.90]
1706-> ARG 45 HE - ALA 60 HB* [ 1.80 6.38] 0.00 0.00 0.16 0.07 0.00 1.17 0.28 1.54 0.00 0.00 1.61 1.62 0.00 1.09 1.50 0.11 0.12 0.00 0.00 1.78 - 12 [ 0.07 .. 1.78]
1716-> ARG 45 HA - ALA 60 HB* [ 1.80 5.52] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 - 1 [ 0.37 .. 0.37]
1723-> GLY 61 HA2 - VAL 66 HG1* [ 1.80 4.03] 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.82 .. 1.82]
1726-> GLY 54 HA3 - GLN 55 HE21 [ 1.80 6.06] 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 - 3 [ 0.88 .. 1.94]
1728-> GLY 61 HA2 - TYR 70 HE* [ 1.80 5.89] 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.30 .. 0.47]
1744-> PHE 46 HB2 - LYS 64 HG2 [ 1.80 6.07] 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.53 .. 0.88]
1745-> MET 48 HE* - LYS 64 HD2 [ 1.80 4.98] 0.00 0.34 0.69 0.48 1.08 0.00 0.17 0.00 0.97 0.00 1.10 0.17 0.00 0.38 0.85 1.77 0.97 0.18 0.00 0.00 - 13 [ 0.17 .. 1.77]
1746-> MET 48 HE* - LYS 64 HD3 [ 1.80 4.98] 0.00 0.00 0.00 0.00 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 0.00 0.00 - 1 [ 0.44 .. 0.44]
1751-> PHE 46 HD* - LYS 64 HE2 [ 1.80 6.52] 0.00 0.00 0.00 0.00 0.00 0.12 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 - 2 [ 0.12 .. 0.57]
1753-> VAL 20 HG2* - LYS 65 HA [ 1.80 5.09] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.27 0.00 0.00 0.00 0.06 0.00 0.00 0.11 0.00 0.00 0.00 - 4 [ 0.06 .. 0.39]
1754-> VAL 20 HG1* - LYS 65 HA [ 1.80 6.70] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.25 0.00 0.00 0.00 0.05 0.00 0.00 0.23 0.00 0.00 0.00 - 4 [ 0.05 .. 0.25]
1756-> VAL 20 HG2* - VAL 66 HA [ 1.80 6.38] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 - 2 [ 0.01 .. 0.24]
1758-> GLY 61 HA2 - VAL 66 HG2* [ 1.80 5.64] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.04 .. 0.11]
1762-> LYS 44 HB2 - PHE 46 HE* [ 1.80 5.46] 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]
1764-> ALA 67 HA - TYR 70 HE* [ 1.80 6.02] 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.10 .. 0.31]
1783-> VAL 66 HG1* - ALA 67 HA [ 1.80 4.65] 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.87 .. 0.87]
1788-> TYR 32 HE* - LYS 68 HB3 [ 1.80 6.25] 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]
1796-> VAL 20 HG2* - LYS 68 HB2 [ 1.80 4.20] 0.00 0.00 0.31 0.36 0.00 0.00 0.00 0.00 0.36 0.33 0.00 0.00 0.00 0.45 0.00 0.00 0.35 0.00 0.00 0.00 - 6 [ 0.31 .. 0.45]
1798-> MET 48 HE* - LYS 68 HB3 [ 1.80 4.85] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.27 .. 0.27]
1799-> MET 48 HG3 - LYS 68 HB3 [ 1.80 5.48] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.59 .. 0.59]
1800-> MET 48 HG3 - LYS 68 HG2 [ 1.80 4.36] 0.00 0.78 0.76 0.81 0.42 0.00 0.00 0.00 0.51 0.39 0.56 0.00 0.00 2.99 0.00 0.00 0.53 0.00 0.00 0.00 - 9 [ 0.39 .. 2.99]
1801-> TYR 32 HB2 - LYS 68 HD2 [ 1.80 5.41] 0.00 0.22 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.01 - 5 [ 0.01 .. 0.95]
1802-> MET 48 HG3 - LYS 68 HD3 [ 1.80 6.23] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.44 .. 1.44]
1804-> LYS 65 HA - LYS 68 HD3 [ 1.80 4.68] 0.00 0.34 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.20 .. 0.59]
1810-> TYR 32 HB2 - LYS 68 HE3 [ 1.80 4.99] 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 - 3 [ 0.19 .. 0.72]
1812-> MET 48 HG3 - LYS 68 HE2 [ 1.80 6.82] 0.00 0.00 0.09 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.09 .. 2.29]
1814-> VAL 20 HG1* - LYS 68 HE2 [ 1.80 3.70] 2.40 0.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.67 0.00 1.98 0.00 0.00 1.85 0.00 0.00 0.00 0.00 - 6 [ 0.67 .. 2.40]
1815-> VAL 20 HG2* - LYS 68 HE2 [ 1.80 4.17] 1.68 0.45 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.46 0.00 1.54 0.00 0.00 1.31 0.00 0.00 0.00 0.00 - 6 [ 0.43 .. 1.68]
1816-> VAL 20 HG1* - LYS 68 HE3 [ 1.80 3.97] 2.49 0.73 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.50 0.00 2.15 0.00 0.00 2.23 0.00 0.00 0.00 0.00 - 6 [ 0.50 .. 2.49]
1818-> TYR 32 HD* - LYS 68 HE3 [ 1.80 4.54] 0.54 0.08 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.81 0.00 0.00 0.73 0.00 0.00 0.00 0.00 - 6 [ 0.08 .. 0.81]
1821-> TYR 32 HE* - LYS 68 HE2 [ 1.80 5.47] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.20 0.00 0.00 0.00 0.00 - 2 [ 0.20 .. 0.53]
1822-> TYR 32 HN - LYS 68 HE3 [ 1.80 6.39] 0.62 0.89 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.07 0.00 0.00 1.66 0.00 0.00 0.00 0.00 - 6 [ 0.07 .. 1.69]
1824-> PRO 19 HG3 - ALA 69 HB* [ 1.80 3.93] 0.00 0.00 0.23 0.00 0.00 0.14 0.77 0.13 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.11 - 7 [ 0.11 .. 0.77]
1825-> PRO 19 HG2 - ALA 69 HA [ 1.80 4.10] 0.00 0.00 0.08 0.20 0.00 0.06 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.06 .. 0.22]
1828-> TYR 70 HB2 - ALA 71 HA [ 1.80 5.43] 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 0.28 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.28 .. 0.29]
1830-> MET 11 HE* - TYR 70 HB3 [ 1.80 6.31] 0.00 0.00 0.00 1.14 0.00 0.00 0.00 1.56 0.00 0.83 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.44 0.00 0.25 - 6 [ 0.25 .. 1.60]
1835-> VAL 66 HG1* - TYR 70 HB3 [ 1.80 6.51] 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.35 .. 1.35]
1836-> TYR 70 HB3 - LEU 73 HD1* [ 1.80 5.93] 1.18 0.83 0.65 0.68 1.38 0.81 1.51 0.46 0.69 0.89 1.10 0.90 1.24 1.25 0.72 0.69 0.68 1.28 1.67 0.94 - 20 [ 0.46 .. 1.67]
1837-> MET 11 HE* - TYR 70 HB2 [ 1.80 6.82] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.28 0.00 0.30 - 4 [ 0.28 .. 2.01]
1842-> MET 11 HB2 - TYR 70 HE* [ 1.80 6.82] 0.00 0.00 0.22 0.00 1.39 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 - 3 [ 0.22 .. 1.39]
1843-> MET 11 HB3 - TYR 70 HE* [ 1.80 6.82] 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 1.33 .. 1.83]
1844-> VAL 66 HB - TYR 70 HE* [ 1.80 6.82] 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 1.34 .. 2.07]
1850-> TYR 32 HE* - ALA 71 HB* [ 1.80 3.95] 0.00 0.12 0.00 0.00 0.99 0.00 0.59 0.02 0.79 0.43 0.99 0.67 0.00 0.85 0.73 0.47 0.00 0.00 0.68 0.66 - 13 [ 0.02 .. 0.99]
1857-> VAL 50 HG1* - ALA 71 HB* [ 1.80 3.34] 0.00 0.00 0.00 0.00 0.70 0.00 0.55 0.00 0.85 0.00 0.50 0.43 0.00 0.68 0.70 0.72 0.00 0.00 0.45 0.58 - 10 [ 0.43 .. 0.85]
1859-> MET 48 HE* - ALA 71 HB* [ 1.80 5.32] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.47 .. 0.47]
1868-> PRO 19 HB2 - ALA 72 HA [ 1.80 5.67] 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.00 .. 0.41]
1879-> TYR 70 HA - LEU 73 HD1* [ 1.80 3.93] 1.26 0.86 0.71 0.84 0.88 0.88 1.53 0.61 0.72 0.91 1.12 0.96 1.25 0.76 0.89 0.79 0.73 1.35 1.66 1.02 - 20 [ 0.61 .. 1.66]
1907-> ALA 75 HB* - LYS 78 HD2 [ 1.80 5.69] 1.94 0.58 2.00 2.23 1.99 0.33 2.04 2.24 2.00 2.02 2.00 0.91 1.95 0.67 2.01 2.04 0.00 0.49 2.03 2.15 - 19 [ 0.33 .. 2.24]
1909-> ALA 75 HB* - LEU 79 HG [ 1.80 4.29] 0.00 0.23 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.25 0.00 0.00 - 4 [ 0.15 .. 0.25]
1910-> VAL 50 HG1* - ALA 75 HB* [ 1.80 3.53] 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.21 0.00 0.48 0.00 0.02 0.00 0.00 0.03 0.00 - 5 [ 0.02 .. 0.48]
1911-> ALA 75 HA - LEU 79 HD1* [ 1.80 4.39] 0.00 0.78 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.66 0.81 0.00 0.00 - 5 [ 0.44 .. 0.81]
1913-> ALA 75 HA - LEU 79 HG [ 1.80 4.52] 0.00 0.93 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.92 0.90 0.00 0.00 - 5 [ 0.65 .. 0.97]
1919-> GLU 22 HG2 - LEU 76 HD2* [ 1.80 4.59] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 - 2 [ 0.74 .. 1.05]
1921-> LEU 76 HA - PHE 80 HE* [ 1.80 4.82] 0.00 0.71 0.18 0.00 0.00 1.06 0.13 0.47 0.00 0.10 0.16 0.00 0.00 0.00 0.00 0.00 0.66 1.29 0.00 0.00 - 9 [ 0.10 .. 1.29]
1930-> LEU 76 HN - GLU 77 HG3 [ 1.80 6.23] 0.00 0.89 0.00 0.90 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.84 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.90 - 6 [ 0.84 .. 0.92]
1931-> LEU 76 HN - GLU 77 HG2 [ 1.80 6.23] 0.00 0.93 0.00 1.01 0.00 0.00 0.00 0.92 0.00 0.01 0.00 0.93 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.98 - 7 [ 0.01 .. 1.01]
1932-> MET 21 HA - GLU 25 HG3 [ 1.80 5.43] 0.00 0.00 0.00 1.59 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 1.59 .. 2.42]
1934-> LEU 73 HD2* - GLU 77 HG3 [ 1.80 5.24] 0.00 0.85 0.00 0.90 0.00 0.00 0.00 0.94 0.00 0.00 1.42 0.79 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.92 - 7 [ 0.79 .. 1.42]
1935-> LEU 73 HD1* - GLU 77 HG3 [ 1.80 5.14] 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.04 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.15 - 5 [ 0.04 .. 0.71]
1936-> LEU 73 HD2* - GLU 77 HG2 [ 1.80 5.24] 0.00 1.81 0.00 1.93 0.00 0.00 0.00 1.88 0.00 0.00 0.41 1.78 0.00 1.89 0.00 0.00 0.00 0.00 0.00 1.95 - 7 [ 0.41 .. 1.95]
1937-> LYS 78 HG3 - LEU 79 HD2* [ 1.80 4.79] 0.70 2.57 0.60 0.71 0.54 2.62 0.57 0.60 0.67 0.71 0.60 1.38 0.65 2.73 0.71 0.66 2.65 2.62 0.56 0.71 - 20 [ 0.54 .. 2.73]
1938-> LYS 78 HG2 - LEU 79 HD2* [ 1.80 4.40] 1.46 3.56 1.35 1.42 1.32 3.54 1.35 1.36 1.41 1.49 1.40 1.56 1.42 3.73 1.44 1.41 3.58 3.49 1.33 1.40 - 20 [ 1.32 .. 3.73]
1939-> LYS 78 HD3 - LEU 79 HD2* [ 1.80 4.87] 1.35 2.76 1.38 1.41 1.14 2.58 1.27 1.29 1.39 1.40 1.26 1.74 1.33 3.00 1.39 1.37 2.70 2.53 1.29 1.41 - 20 [ 1.14 .. 3.00]
1940-> LYS 78 HD2 - LEU 79 HD2* [ 1.80 4.85] 0.97 2.10 1.01 1.14 0.77 2.02 0.89 0.97 1.00 1.00 0.82 2.04 0.95 2.39 1.03 1.02 2.10 2.06 0.88 1.15 - 20 [ 0.77 .. 2.39]
1941-> LYS 78 HG3 - LEU 79 HA [ 1.80 6.43] 0.30 0.00 0.25 0.30 0.33 0.00 0.28 0.26 0.30 0.27 0.27 0.00 0.29 0.01 0.33 0.28 0.04 0.07 0.29 0.31 - 17 [ 0.01 .. 0.33]
1942-> LYS 78 HG2 - LEU 79 HA [ 1.80 5.61] 0.92 0.76 0.87 0.91 0.94 0.71 0.90 0.89 0.90 0.92 0.91 1.02 0.91 0.81 0.92 0.89 0.80 0.74 0.91 0.89 - 20 [ 0.71 .. 1.02]
1944-> PHE 57 HZ - LYS 78 HG2 [ 1.80 5.61] 0.00 0.44 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.75 0.34 0.00 0.00 - 5 [ 0.26 .. 0.75]
1945-> PHE 57 HZ - LYS 78 HD2 [ 1.80 5.12] 0.56 0.00 0.66 0.38 0.26 0.00 0.18 0.78 0.78 0.56 0.32 0.78 0.51 0.00 0.12 0.87 0.00 0.00 0.27 0.63 - 15 [ 0.12 .. 0.87]
1946-> PHE 57 HZ - LYS 78 HD3 [ 1.80 4.71] 1.69 0.53 1.79 1.47 1.44 0.33 1.30 1.81 1.90 1.69 1.51 0.05 1.59 0.15 1.35 1.93 0.61 0.32 1.37 1.61 - 20 [ 0.05 .. 1.93]
1952-> LYS 78 HA - LEU 79 HD2* [ 1.80 5.39] 0.00 1.68 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 1.68 1.62 0.00 0.00 - 5 [ 1.62 .. 1.72]
1953-> VAL 52 HA - LEU 79 HD1* [ 1.80 5.65] 0.00 1.12 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 1.32 1.10 0.00 0.00 - 5 [ 0.70 .. 1.32]
1954-> ASP 53 HB3 - LEU 79 HD1* [ 1.80 4.28] 0.00 0.00 0.00 0.55 1.18 0.00 0.00 0.00 0.00 0.00 1.22 0.79 0.00 0.00 0.70 0.00 0.41 0.00 0.00 0.00 - 6 [ 0.41 .. 1.22]
1955-> GLN 55 HB2 - LEU 79 HD1* [ 1.80 4.46] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.76 .. 1.76]
1956-> ASP 53 HB2 - LEU 79 HD2* [ 1.80 5.56] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 - 2 [ 0.20 .. 0.29]
1957-> ASP 53 HB3 - LEU 79 HD2* [ 1.80 5.56] 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.58 .. 0.73]
1962-> PHE 57 HE* - LEU 79 HD1* [ 1.80 3.60] 0.00 0.10 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 0.32 0.00 0.00 - 4 [ 0.00 .. 0.32]
1966-> PHE 57 HZ - LEU 79 HD2* [ 1.80 3.76] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
1972-> LEU 76 HD2* - PHE 80 HB3 [ 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 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.40 .. 0.40]
1974-> LYS 26 HE2 - PHE 80 HB3 [ 1.80 5.64] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.15 .. 1.15]
1977-> ARG 27 HB2 - PHE 80 HD* [ 1.80 6.56] 0.00 0.00 0.00 0.00 0.00 0.00 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 [ 1.29 .. 1.29]
1991-> THR 83 HB - PRO 84 HD3 [ 1.80 4.30] 0.00 0.00 0.00 0.51 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.82 0.50 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.36 .. 0.87]
1992-> THR 83 HB - LEU 85 HD1* [ 1.80 6.82] 0.79 0.00 0.00 0.00 0.00 0.18 1.53 0.00 0.14 0.00 0.50 0.00 0.00 0.00 0.77 0.54 1.19 0.00 0.88 0.00 - 9 [ 0.14 .. 1.53]
1998-> THR 83 HB - PRO 84 HD2 [ 1.80 4.30] 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.08 0.25 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.08 .. 0.29]
1999-> PRO 84 HA - LEU 85 HD1* [ 1.80 5.60] 0.00 0.08 0.24 0.00 0.00 0.01 0.00 0.07 0.08 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.14 - 8 [ 0.01 .. 0.27]
2004-> THR 13 HG2* - PRO 19 HB3 [ 1.80 3.70] 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 1.62 0.00 0.12 0.00 0.00 0.00 0.00 1.39 0.00 0.10 0.00 - 5 [ 0.10 .. 1.82]
2005-> ASN 18 HB3 - MET 21 HG3 [ 1.80 5.31] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 - 1 [ 0.66 .. 0.66]
2006-> ASN 24 HB2 - GLU 25 HG3 [ 1.80 5.60] 0.00 0.00 0.00 1.04 0.00 2.27 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 - 2 [ 1.04 .. 2.27]
2011-> ILE 35 HG13 - VAL 47 HB [ 1.80 4.96] 0.10 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.23 0.00 0.00 0.00 0.09 0.00 0.01 0.00 0.00 0.00 0.04 - 7 [ 0.00 .. 0.28]
2012-> LEU 30 HD2* - VAL 50 HG2* [ 1.80 3.51] 0.00 0.00 0.00 0.00 2.47 0.00 2.23 0.00 2.36 0.14 2.43 2.42 0.00 2.53 2.41 2.19 0.00 0.00 2.23 2.40 - 11 [ 0.14 .. 2.53]
2013-> LEU 30 HD1* - VAL 50 HG2* [ 1.80 3.61] 0.00 0.00 0.00 0.00 1.39 0.00 1.16 0.00 1.27 0.00 1.32 1.30 0.00 1.47 1.42 1.28 0.00 0.00 1.02 1.22 - 10 [ 1.02 .. 1.47]
2017-> GLU 51 HB3 - LYS 56 HE3 [ 1.80 5.96] 0.00 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 - 1 [ 0.46 .. 0.46]
2028-> VAL 20 HB - MET 21 HG2 [ 1.80 4.86] 0.00 0.00 1.83 0.00 0.03 0.00 0.00 0.00 0.01 0.17 0.00 0.08 0.00 1.93 0.00 0.07 0.00 0.00 0.00 0.00 - 7 [ 0.01 .. 1.93]
2029-> VAL 20 HB - MET 21 HG3 [ 1.80 4.86] 0.21 0.22 1.50 0.25 0.00 0.26 0.27 0.34 0.00 0.00 0.17 0.00 0.27 1.55 0.35 0.00 0.40 0.29 0.13 0.25 - 15 [ 0.13 .. 1.55]
2037-> VAL 66 HG1* - TYR 70 HB2 [ 1.80 5.08] 1.67 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 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.67 .. 1.67]
2038-> GLY 61 HA2 - VAL 66 HB [ 1.80 4.88] 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.20 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.19 - 5 [ 0.05 .. 0.42]
2045-> LEU 73 HD1* - GLU 77 HG2 [ 1.80 5.14] 0.00 1.28 0.00 1.03 0.00 0.00 0.00 0.92 0.00 0.00 0.00 1.13 0.00 1.35 0.00 0.00 0.00 0.00 0.00 1.22 - 6 [ 0.92 .. 1.35]
2046-> TYR 70 HB2 - LEU 73 HD1* [ 1.80 5.59] 2.09 1.69 1.52 1.66 1.14 1.71 2.29 1.43 1.53 1.72 1.92 1.78 2.05 1.01 1.72 1.62 1.53 2.16 2.38 1.85 - 20 [ 1.01 .. 2.38]
2047-> ALA 69 HB* - LEU 73 HD1* [ 1.80 4.50] 0.62 0.48 0.52 0.83 0.59 0.57 0.77 0.63 0.43 0.47 0.53 0.56 0.59 0.54 0.83 0.62 0.52 0.77 0.68 0.60 - 20 [ 0.43 .. 0.83]
2051-> LYS 26 HG3 - LEU 76 HD1* [ 1.80 4.83] 0.19 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.34 0.00 0.00 0.00 0.00 - 5 [ 0.00 .. 0.52]
2052-> LYS 78 HB3 - LEU 79 HD2* [ 1.80 4.62] 0.00 1.53 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 1.56 1.36 0.00 0.00 - 5 [ 1.36 .. 1.80]
2053-> LYS 78 HD3 - LEU 79 HA [ 1.80 5.09] 1.54 1.38 1.56 1.54 1.51 1.29 1.53 1.51 1.58 1.50 1.55 2.04 1.55 1.41 1.57 1.55 1.48 1.40 1.57 1.54 - 20 [ 1.29 .. 2.04]
2054-> GLU 22 HG2 - LYS 26 HB2 [ 1.80 5.49] 0.00 0.24 0.61 0.00 0.00 0.00 0.36 2.43 0.00 0.00 0.99 0.00 0.00 0.24 1.87 1.94 3.08 0.00 0.95 0.00 - 10 [ 0.24 .. 3.08]
2055-> GLU 22 HB3 - ALA 72 HB* [ 1.80 5.82] 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 0.14 0.00 0.00 0.00 - 2 [ 0.14 .. 0.19]
2056-> LYS 17 HB2 - GLU 22 HB2 [ 1.80 5.29] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
2057-> LYS 17 HB3 - GLU 22 HB2 [ 1.80 5.29] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.40 .. 0.40]
2058-> LEU 30 HA - VAL 50 HA [ 1.80 6.82] 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.10 0.00 0.03 0.00 0.04 0.00 0.11 0.08 0.16 0.00 0.00 0.00 0.07 - 8 [ 0.03 .. 0.16]
2063-> TYR 70 HA - LEU 73 HG [ 1.80 4.85] 0.34 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.36 0.49 0.00 - 5 [ 0.09 .. 0.49]
2064-> PRO 84 HA - LEU 85 HG [ 1.80 5.28] 0.00 0.00 0.00 0.00 0.00 1.36 0.00 1.26 1.22 1.14 1.35 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 1.22 - 7 [ 1.14 .. 1.36]
2071-> PRO 19 HB2 - LEU 73 HG [ 1.80 4.06] 2.07 2.18 2.11 2.47 2.17 2.20 2.02 2.35 2.10 1.79 1.86 2.00 2.03 2.19 1.12 2.06 1.96 1.97 1.83 1.96 - 20 [ 1.12 .. 2.47]
2075-> PRO 19 HB3 - LEU 73 HD2* [ 1.80 3.86] 0.20 0.06 0.26 0.00 0.00 0.35 0.05 0.91 0.17 0.39 0.45 0.18 0.02 0.00 0.00 0.18 0.00 0.20 0.08 0.18 - 16 [ 0.00 .. 0.91]
2076-> LEU 73 HD2* - LEU 76 HB2 [ 1.80 4.23] 0.87 0.83 1.19 1.00 0.94 0.85 1.11 1.68 1.08 1.09 1.12 1.20 0.89 0.87 0.91 0.91 0.74 0.69 0.92 0.98 - 20 [ 0.69 .. 1.68]
2077-> THR 13 HA - LEU 73 HD2* [ 1.80 3.82] 0.56 0.41 1.35 0.02 0.97 2.18 0.36 0.83 0.00 0.39 1.51 1.30 1.52 0.55 0.00 0.65 0.44 0.78 0.10 0.00 - 17 [ 0.02 .. 2.18]
2078-> THR 13 HA - LEU 73 HD1* [ 1.80 4.73] 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.64 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.25 .. 0.64]
2084-> ILE 35 HG12 - GLN 58 HG3 [ 1.80 6.82] 0.59 0.03 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.29 0.63 0.10 0.00 0.00 0.16 0.33 0.09 0.00 - 9 [ 0.03 .. 0.63]
2087-> LEU 73 HD2* - LEU 76 HB3 [ 1.80 4.60] 1.30 1.28 1.77 1.42 1.38 1.31 1.63 2.36 1.59 1.57 1.62 1.74 1.33 1.26 1.32 1.36 1.22 1.09 1.36 1.44 - 20 [ 1.09 .. 2.36]
2088-> ARG 27 HE - LEU 79 HD2* [ 1.80 6.48] 2.79 0.73 0.48 0.00 1.23 0.54 0.56 0.28 0.53 0.83 1.17 0.00 2.65 0.00 0.00 0.00 0.00 0.41 0.71 0.91 - 14 [ 0.28 .. 2.79]
2089-> ARG 27 HG2 - LEU 79 HD1* [ 1.80 5.01] 0.00 1.23 0.00 0.20 0.12 1.55 0.00 0.59 0.00 0.00 0.11 0.00 0.00 1.07 0.25 0.00 0.74 1.54 0.00 0.00 - 10 [ 0.11 .. 1.55]
2090-> GLY 54 HN - LYS 56 HD2 [ 1.80 6.82] 1.34 1.10 1.26 1.25 0.71 1.25 1.04 1.84 1.31 0.96 1.30 2.01 1.60 1.26 1.44 2.04 1.18 1.53 1.10 1.13 - 20 [ 0.71 .. 2.04]
2094-> PRO 19 HD3 - ALA 69 HB* [ 1.80 4.61] 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.24 .. 0.24]
2095-> VAL 47 HG1* - GLN 58 HG3 [ 1.80 4.86] 0.96 0.71 0.73 0.31 0.35 1.00 0.81 0.62 0.37 0.35 0.48 1.06 0.89 0.64 0.71 0.89 0.66 0.95 0.84 1.04 - 20 [ 0.31 .. 1.06]
2099-> LYS 17 HB2 - GLU 22 HA [ 1.80 6.48] 0.00 0.00 0.00 0.00 0.41 0.04 0.00 0.00 0.00 0.69 0.00 0.48 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.04 .. 0.69]
2101-> THR 13 HG2* - LEU 76 HD1* [ 1.80 3.64] 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.09 0.00 1.23 0.00 0.00 0.45 0.00 0.43 0.00 0.00 0.00 - 5 [ 0.09 .. 1.23]
2102-> THR 13 HG2* - LEU 76 HD2* [ 1.80 5.09] 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.84 0.00 0.38 0.00 0.00 0.00 - 4 [ 0.22 .. 1.93]
2103-> HIS 10 HA - HIS 10 HD2 [ 1.80 4.63] 0.00 0.00 0.00 0.00 0.14 0.13 0.00 0.00 0.18 0.00 0.17 0.02 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.02 .. 0.18]
2104-> HIS 15 HA - HIS 15 HD2 [ 1.80 4.32] 0.24 0.27 0.30 0.22 0.35 0.30 0.31 0.13 0.30 0.44 0.25 0.41 0.38 0.52 0.22 0.22 0.17 0.52 0.29 0.26 - 20 [ 0.13 .. 0.52]
2105-> HIS 42 HD2 - ASP 43 HA [ 1.80 6.36] 0.00 1.13 1.00 1.97 1.17 0.00 1.31 2.07 1.26 0.00 0.81 0.00 0.73 1.51 0.00 1.22 1.49 0.51 1.17 1.41 - 15 [ 0.51 .. 2.07]
2113-> TYR 32 HD* - MET 48 HB3 [ 1.80 4.46] 0.00 0.00 0.06 0.00 0.29 0.00 0.04 0.00 0.51 0.32 0.50 0.42 0.00 0.91 0.12 0.00 0.00 0.00 0.00 0.22 - 10 [ 0.04 .. 0.91]
2115-> TYR 32 HD* - ALA 71 HB* [ 1.80 3.99] 0.00 0.00 0.00 0.00 0.36 0.00 0.48 0.00 0.20 0.00 0.50 0.38 0.00 0.21 0.20 0.08 0.00 0.00 0.63 0.45 - 10 [ 0.08 .. 0.63]
2116-> TYR 32 HD* - VAL 50 HB [ 1.80 3.86] 0.00 0.00 0.00 0.00 0.91 0.00 1.10 0.00 1.01 0.00 1.14 0.83 0.00 0.79 1.07 0.95 0.00 0.00 1.23 1.14 - 10 [ 0.79 .. 1.23]
2117-> TYR 32 HD* - LYS 68 HD2 [ 1.80 4.94] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
2122-> TYR 32 HE* - LYS 68 HA [ 1.80 4.83] 0.00 0.00 0.18 0.00 0.48 0.00 0.00 0.00 0.79 0.87 0.69 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.18 .. 0.87]
2123-> ASN 24 HB2 - TYR 32 HE* [ 1.80 5.47] 0.00 0.40 0.38 0.22 0.45 0.00 0.34 0.46 0.48 0.17 0.00 0.77 0.23 0.60 0.53 0.53 1.29 0.03 0.50 0.44 - 17 [ 0.03 .. 1.29]
2124-> TYR 32 HE* - LYS 68 HE3 [ 1.80 5.08] 1.23 0.76 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 1.24 0.00 2.02 0.00 0.00 1.74 0.00 0.00 0.00 0.00 - 6 [ 0.76 .. 2.02]
2127-> TYR 32 HE* - VAL 50 HB [ 1.80 4.09] 0.00 0.00 0.00 0.00 0.70 0.00 0.68 0.00 0.62 0.00 0.77 0.63 0.00 0.62 0.76 0.70 0.00 0.00 0.78 0.70 - 10 [ 0.62 .. 0.78]
2133-> LYS 14 HB2 - HIS 15 HD2 [ 1.80 6.03] 0.00 0.00 0.00 0.00 1.36 0.60 0.23 0.00 0.00 0.48 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.23 .. 1.45]
2134-> LYS 14 HB3 - HIS 15 HD2 [ 1.80 6.03] 0.00 0.00 0.00 0.00 0.68 0.71 0.00 0.00 0.00 0.05 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.05 .. 0.71]
2139-> VAL 52 HB - PHE 57 HZ [ 1.80 5.81] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.39 .. 0.39]
2142-> GLN 55 HB2 - PHE 57 HE* [ 1.80 3.69] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 - 2 [ 0.70 .. 0.77]
2145-> PHE 57 HE* - LEU 79 HG [ 1.80 4.37] 0.00 0.37 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.54 0.39 0.00 0.00 - 5 [ 0.07 .. 0.54]
2146-> VAL 52 HG2* - PHE 57 HE* [ 1.80 4.17] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.05 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.05 .. 0.50]
2148-> GLN 55 HB2 - PHE 57 HD* [ 1.80 4.82] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 - 2 [ 1.08 .. 1.09]
2152-> VAL 50 HG1* - PHE 57 HD* [ 1.80 3.95] 0.00 0.00 0.00 0.00 0.19 0.00 0.42 0.00 0.09 0.00 0.00 0.23 0.00 0.89 0.41 0.16 0.00 0.00 0.28 0.25 - 9 [ 0.09 .. 0.89]
2153-> GLN 55 HB2 - PHE 57 HZ [ 1.80 3.99] 0.00 0.00 0.00 0.00 0.13 0.00 0.08 0.00 0.00 0.00 0.00 0.68 0.00 0.41 0.06 0.00 0.00 0.68 0.09 0.00 - 7 [ 0.06 .. 0.68]
2157-> PHE 57 HZ - LYS 78 HG3 [ 1.80 4.72] 0.00 0.65 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.78 0.00 0.00 1.25 0.65 0.00 0.00 - 6 [ 0.54 .. 1.25]
2158-> PHE 57 HZ - LEU 79 HD1* [ 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 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.18 .. 0.18]
2159-> PHE 57 HZ - LEU 79 HG [ 1.80 3.81] 0.00 1.17 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 1.03 1.13 0.00 0.00 - 5 [ 1.03 .. 1.46]
2161-> MET 11 HE* - TYR 70 HE* [ 1.80 4.65] 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.54 .. 0.66]
2162-> ALA 69 HB* - TYR 70 HE* [ 1.80 5.51] 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 1.33 .. 1.39]
2163-> VAL 66 HG1* - TYR 70 HE* [ 1.80 3.33] 0.94 0.00 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.94 .. 2.70]
2164-> VAL 66 HG2* - TYR 70 HE* [ 1.80 5.36] 0.00 0.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 2.20 .. 2.94]
2165-> TYR 70 HE* - LEU 73 HD1* [ 1.80 4.51] 2.10 1.38 0.80 1.09 1.01 1.48 2.69 0.92 1.17 1.29 1.93 1.56 2.06 0.68 1.38 1.15 0.82 2.26 2.95 1.84 - 20 [ 0.68 .. 2.95]
2167-> MET 11 HE* - TYR 70 HD* [ 1.80 4.62] 0.00 0.00 0.00 0.29 0.00 0.00 0.00 1.15 0.00 0.01 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.11 0.00 0.00 - 5 [ 0.01 .. 1.15]
2169-> TYR 70 HD* - LEU 73 HB2 [ 1.80 4.81] 0.41 0.01 0.00 0.00 0.00 0.08 1.23 0.00 0.00 0.00 0.43 0.14 0.55 0.00 0.03 0.00 0.00 0.58 1.39 0.50 - 11 [ 0.01 .. 1.39]
2170-> ALA 69 HB* - TYR 70 HD* [ 1.80 4.74] 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.36 .. 0.40]
2171-> VAL 66 HG1* - TYR 70 HD* [ 1.80 3.53] 1.52 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.28 .. 1.52]
2172-> VAL 66 HG2* - TYR 70 HD* [ 1.80 5.67] 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.55 .. 1.17]
2173-> TYR 70 HD* - LEU 73 HD1* [ 1.80 4.25] 1.66 1.14 0.66 0.83 0.61 1.19 2.27 0.74 1.00 0.99 1.55 1.25 1.71 0.39 1.06 0.92 0.72 1.81 2.51 1.51 - 20 [ 0.39 .. 2.51]
2174-> LEU 76 HB2 - PHE 80 HD* [ 1.80 5.10] 0.00 0.56 0.35 0.00 0.00 0.84 0.31 0.61 0.11 0.32 0.32 0.00 0.10 0.00 0.00 0.00 0.57 1.13 0.05 0.09 - 14 [ 0.00 .. 1.13]
2176-> LEU 76 HB3 - PHE 80 HD* [ 1.80 4.62] 0.04 0.94 0.17 0.00 0.00 1.21 0.30 0.47 0.02 0.28 0.34 0.00 0.10 0.21 0.00 0.00 0.78 1.54 0.02 0.06 - 16 [ 0.00 .. 1.54]
2177-> LEU 79 HB2 - PHE 80 HD* [ 1.80 4.25] 0.00 0.54 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.49 0.52 0.00 0.00 - 5 [ 0.46 .. 0.54]
2178-> LEU 76 HD1* - PHE 80 HD* [ 1.80 5.07] 0.00 0.31 0.00 0.00 0.00 0.39 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.77 0.00 0.00 - 5 [ 0.01 .. 0.77]
2180-> LEU 23 HA - PHE 80 HE* [ 1.80 4.62] 0.00 0.51 0.35 0.00 0.14 0.63 0.16 0.91 0.08 0.25 0.30 0.00 0.16 0.00 0.19 0.17 0.46 1.31 0.09 0.08 - 16 [ 0.08 .. 1.31]
2184-> LYS 26 HE2 - PHE 80 HE* [ 1.80 6.23] 0.43 0.96 0.09 0.00 0.48 0.69 0.26 0.36 0.24 0.40 0.51 0.00 0.45 0.25 0.00 0.05 0.23 1.50 0.31 0.31 - 17 [ 0.05 .. 1.50]
2185-> LYS 26 HE3 - PHE 80 HE* [ 1.80 6.23] 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 - 2 [ 0.50 .. 1.04]
2186-> ARG 27 HB2 - PHE 80 HE* [ 1.80 5.02] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.79 .. 0.79]
2188-> ARG 27 HG2 - PHE 80 HE* [ 1.80 4.77] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.20 .. 0.20]
2190-> LEU 79 HB2 - PHE 80 HE* [ 1.80 4.17] 0.00 0.84 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.85 0.95 0.00 0.00 - 5 [ 0.73 .. 0.95]
2192-> LEU 76 HD2* - PHE 80 HE* [ 1.80 4.27] 0.00 0.43 0.00 0.00 0.00 0.59 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 1.07 0.00 0.00 - 5 [ 0.06 .. 1.07]
2194-> VAL 52 HG1* - PHE 80 HZ [ 1.80 4.53] 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.42 .. 1.45]
2195-> LEU 79 HB2 - PHE 80 HZ [ 1.80 5.03] 0.00 1.22 0.27 0.00 0.00 1.35 0.13 0.22 0.08 0.06 0.24 0.00 0.05 1.15 0.00 0.00 1.29 1.40 0.04 0.05 - 15 [ 0.00 .. 1.40]
2196-> PHE 57 HZ - LYS 78 HE2 [ 1.80 6.37] 0.81 0.87 0.76 0.58 0.58 0.80 0.26 0.84 0.99 0.72 0.50 0.00 0.62 0.73 0.45 1.01 1.18 0.79 0.34 0.68 - 19 [ 0.26 .. 1.18]
2197-> PHE 57 HZ - LYS 78 HE3 [ 1.80 6.37] 0.23 0.26 0.16 0.02 0.00 0.32 0.00 0.33 0.41 0.23 0.00 0.54 0.08 0.45 0.00 0.50 0.83 0.38 0.00 0.23 - 15 [ 0.02 .. 0.83]
2200-> LEU 34 HG - PHE 46 HD* [ 1.80 6.16] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.16 .. 0.16]
2201-> ARG 27 HG2 - PHE 80 HZ [ 1.80 4.39] 0.28 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.28 .. 1.00]
2202-> ARG 27 HG3 - PHE 80 HZ [ 1.80 4.79] 0.84 0.09 0.00 0.00 0.00 0.62 0.05 1.81 0.26 0.39 0.13 0.46 0.47 0.00 0.00 0.00 0.00 0.56 0.20 0.27 - 13 [ 0.05 .. 1.81]
2204-> HIS 10 HB* - LEU 12 HD1* [ 1.80 5.93] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.58 .. 0.58]
2211-> LEU 12 HB2 - GLY 16 HA* [ 1.80 4.94] 0.00 0.00 0.00 1.65 0.49 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 - 4 [ 0.49 .. 2.55]
2213-> LEU 12 HB3 - GLY 16 HA* [ 1.80 4.69] 0.00 0.00 0.00 0.28 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.14 0.00 - 4 [ 0.14 .. 1.29]
2214-> LEU 12 HB3 - PRO 19 HD* [ 1.80 4.46] 0.02 0.00 0.01 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.01 .. 1.68]
2215-> LEU 12 HD1* - GLY 16 HA* [ 1.80 3.82] 0.00 0.00 0.00 1.50 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 - 3 [ 0.79 .. 1.50]
2216-> LEU 12 HD1* - ASN 18 HD2* [ 1.80 6.59] 0.00 0.00 0.00 2.28 0.00 0.00 0.23 0.32 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 - 5 [ 0.23 .. 2.28]
2217-> LEU 12 HD1* - PRO 19 HD* [ 1.80 6.01] 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.53 .. 0.53]
2218-> LEU 12 HD2* - GLY 16 HA* [ 1.80 4.70] 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 1.08 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.08 .. 1.08]
2222-> THR 13 HG2* - PRO 19 HD* [ 1.80 4.07] 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 - 3 [ 0.75 .. 1.15]
2223-> THR 13 HG2* - GLU 22 HG* [ 1.80 4.85] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 2.37 .. 2.37]
2226-> LYS 14 HA - LYS 14 HD* [ 1.80 3.79] 0.20 0.22 0.20 0.00 0.22 0.22 0.23 0.21 0.20 0.00 0.17 0.19 0.21 0.17 0.18 0.19 0.22 0.18 0.20 0.19 - 18 [ 0.17 .. 0.23]
2230-> LYS 14 HB* - HIS 15 HD2 [ 1.80 5.22] 0.00 0.00 0.00 0.00 1.01 0.73 0.00 0.00 0.00 0.36 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.36 .. 1.02]
2232-> LYS 14 HG* - HIS 15 HD2 [ 1.80 5.20] 0.00 0.23 0.00 0.00 3.10 2.93 0.35 0.00 0.00 2.29 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.23 .. 3.10]
2233-> HIS 15 HB* - LYS 17 HG* [ 1.80 4.86] 0.00 0.00 0.00 0.00 1.89 2.19 0.00 0.00 0.00 3.18 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 1.89 .. 3.18]
2234-> HIS 15 HB* - LYS 17 HD* [ 1.80 5.87] 0.00 0.00 0.00 0.00 0.13 0.59 0.00 0.00 0.00 1.77 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.13 .. 1.77]
2247-> LYS 17 HB* - MET 21 HE* [ 1.80 4.69] 1.44 1.58 0.00 1.58 1.47 2.69 2.15 0.86 0.36 0.84 1.18 0.94 2.63 0.00 2.26 0.56 1.30 1.46 0.00 1.53 - 17 [ 0.36 .. 2.69]
2249-> LYS 17 HB* - GLU 22 HA [ 1.80 5.63] 0.00 0.00 0.00 0.00 0.31 0.09 0.00 0.00 0.00 0.42 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.09 .. 0.42]
2250-> LYS 17 HB* - GLU 22 HB2 [ 1.80 4.54] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 - 2 [ 0.03 .. 0.13]
2254-> LYS 17 HD* - MET 21 HE* [ 1.80 5.51] 1.61 1.94 0.00 0.85 0.00 0.32 1.31 0.75 0.75 0.54 1.98 0.74 0.23 0.00 2.71 1.10 1.63 0.89 0.00 1.85 - 16 [ 0.23 .. 2.71]
2261-> ASN 18 HB2 - MET 21 HG* [ 1.80 4.80] 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 0.30 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.30 .. 0.70]
2266-> ASN 18 HD2* - MET 21 HG* [ 1.80 5.59] 0.00 0.00 0.82 0.00 0.00 0.00 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 .. 0.82]
2268-> PRO 19 HA - GLU 22 HG* [ 1.80 5.01] 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.24 .. 0.24]
2274-> VAL 20 HN - MET 21 HG* [ 1.80 5.50] 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.62 .. 0.75]
2275-> VAL 20 HG1* - MET 21 HG* [ 1.80 4.61] 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.33 .. 0.44]
2276-> VAL 20 HG2* - MET 21 HG* [ 1.80 5.78] 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.76 .. 0.80]
2281-> GLU 22 HG* - LEU 23 HN [ 1.80 3.86] 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 0.30 0.00 0.00 0.00 - 2 [ 0.27 .. 0.30]
2282-> GLU 22 HG* - LYS 26 HB2 [ 1.80 4.75] 0.37 0.73 0.00 0.00 0.00 0.27 0.00 2.44 0.00 0.00 0.10 0.00 0.04 0.73 0.74 0.82 3.01 0.52 0.00 0.00 - 11 [ 0.04 .. 3.01]
2284-> GLU 22 HG* - LYS 26 HG3 [ 1.80 5.63] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 - 2 [ 0.77 .. 1.33]
2285-> GLU 22 HG* - LYS 26 HD* [ 1.80 4.47] 0.49 0.00 0.00 0.11 0.00 0.45 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.32 0.21 0.31 2.67 0.13 0.13 0.00 - 10 [ 0.11 .. 2.67]
2286-> GLU 22 HG* - LYS 26 HE* [ 1.80 5.36] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 - 1 [ 0.26 .. 0.26]
2288-> GLU 22 HG* - LEU 76 HD2* [ 1.80 3.73] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 - 2 [ 1.14 .. 1.39]
2289-> LEU 23 HA - LYS 26 HD* [ 1.80 5.26] 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.14 .. 0.14]
2303-> LYS 26 HE* - PHE 80 HD* [ 1.80 4.82] 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 - 2 [ 0.14 .. 0.37]
2304-> LYS 26 HE* - PHE 80 HE* [ 1.80 5.39] 0.19 0.79 0.00 0.00 0.23 0.37 0.00 0.00 0.02 0.14 0.28 0.00 0.21 0.00 0.00 0.00 0.00 1.27 0.09 0.08 - 11 [ 0.02 .. 1.27]
2312-> ARG 27 HD* - VAL 52 HG1* [ 1.80 4.41] 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]
2313-> ARG 27 HD* - LEU 79 HD1* [ 1.80 6.17] 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 0.06 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.06 .. 0.50]
2315-> ARG 27 HE - ASP 53 HB* [ 1.80 4.75] 0.31 0.11 0.20 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.10 0.25 0.00 0.00 - 7 [ 0.10 .. 0.65]
2316-> ARG 28 HN - ARG 28 HB* [ 1.80 2.98] 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 0.16 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.16 .. 0.23]
2317-> ARG 28 HN - ARG 28 HG* [ 1.80 3.28] 0.76 0.73 0.00 0.76 0.00 0.76 0.00 0.77 0.00 0.74 0.74 0.00 0.76 0.00 0.00 0.78 0.00 0.74 0.77 0.74 - 12 [ 0.73 .. 0.78]
2333-> LYS 31 HD* - GLU 33 HG2 [ 1.80 5.98] 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
2335-> LEU 34 HD1* - GLU 37 HB* [ 1.80 4.28] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.25 .. 0.25]
2339-> LEU 34 HD2* - GLU 37 HB* [ 1.80 3.60] 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 0.00 - 1 [ 0.26 .. 0.26]
2348-> SER 36 HB* - VAL 47 HB [ 1.80 3.53] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 - 2 [ 0.12 .. 0.14]
2360-> THR 38 HN - LYS 44 HD* [ 1.80 5.60] 0.01 0.00 1.19 2.07 0.54 2.52 1.19 0.70 0.45 1.29 2.55 0.81 0.54 0.00 0.14 0.00 0.61 1.90 0.66 0.91 - 17 [ 0.01 .. 2.55]
2364-> THR 38 HB - LYS 44 HD* [ 1.80 6.60] 1.52 0.00 0.00 1.51 1.56 1.52 2.12 0.00 0.58 1.81 1.39 0.71 1.60 0.00 0.61 1.26 0.09 3.20 0.59 1.02 - 16 [ 0.09 .. 3.20]
2367-> THR 38 HG2* - ARG 45 HD* [ 1.80 5.19] 0.00 1.39 0.49 0.11 1.06 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 1.12 0.00 0.00 0.00 - 7 [ 0.11 .. 1.39]
2369-> GLY 39 HA* - LYS 44 HA [ 1.80 4.42] 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 - 2 [ 0.55 .. 0.77]
2371-> HIS 42 HD2 - ASP 43 HB* [ 1.80 4.97] 0.00 2.16 1.31 2.07 2.20 0.33 1.48 2.15 1.18 0.00 1.26 0.00 2.01 2.00 0.00 1.07 2.33 0.45 1.15 1.04 - 16 [ 0.33 .. 2.33]
2377-> LYS 44 HA - LYS 44 HD* [ 1.80 3.52] 0.48 0.00 0.45 0.49 0.41 0.42 0.44 0.00 0.50 0.44 0.44 0.43 0.46 0.00 0.00 0.49 0.00 0.45 0.49 0.00 - 14 [ 0.41 .. 0.50]
2383-> LYS 44 HB* - PHE 46 HZ [ 1.80 6.07] 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.54 .. 0.54]
2387-> LYS 44 HG* - PHE 46 HE* [ 1.80 4.32] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.00 .. 0.42]
2388-> LYS 44 HG* - PHE 46 HZ [ 1.80 5.89] 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.33 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 - 4 [ 0.28 .. 0.39]
2389-> LYS 44 HD* - PHE 46 HE* [ 1.80 4.70] 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 - 2 [ 0.24 .. 0.76]
2390-> LYS 44 HD* - PHE 46 HZ [ 1.80 4.73] 0.00 0.00 0.00 0.00 0.00 2.72 0.00 0.00 0.00 1.01 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 - 5 [ 0.00 .. 2.72]
2391-> LYS 44 HE* - PHE 46 HE* [ 1.80 4.99] 0.00 0.12 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.68 - 6 [ 0.00 .. 0.91]
2392-> LYS 44 HE* - PHE 46 HZ [ 1.80 4.98] 0.00 0.05 0.19 0.11 0.00 2.56 0.04 0.87 0.00 1.80 0.45 0.59 0.00 0.00 0.00 0.00 0.58 0.83 0.00 0.93 - 12 [ 0.04 .. 2.56]
2395-> ARG 45 HG* - VAL 47 HG2* [ 1.80 3.79] 1.60 1.93 1.83 1.61 1.97 1.36 1.71 1.06 1.78 0.00 1.63 1.56 1.75 1.09 1.62 1.67 1.46 0.00 1.42 1.92 - 18 [ 1.06 .. 1.97]
2396-> ARG 45 HD* - VAL 47 HG2* [ 1.80 5.19] 0.00 0.39 0.01 0.00 0.23 0.00 0.21 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 - 6 [ 0.01 .. 0.39]
2397-> ARG 45 HD* - ALA 60 HB* [ 1.80 4.68] 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.92 0.00 0.00 0.83 1.16 0.00 1.38 1.21 0.00 0.00 0.00 0.00 1.10 - 7 [ 0.83 .. 1.41]
2398-> PHE 46 HB2 - LYS 64 HG* [ 1.80 5.35] 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.04 .. 0.39]
2403-> PHE 46 HZ - LYS 64 HG* [ 1.80 6.51] 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.21 .. 0.81]
2407-> MET 48 HE* - LYS 64 HB* [ 1.80 4.33] 0.23 0.00 0.00 0.00 0.00 0.09 0.00 0.14 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.29 - 6 [ 0.09 .. 0.50]
2408-> MET 48 HE* - LYS 64 HG* [ 1.80 3.88] 0.00 0.21 0.49 0.27 0.70 0.00 0.00 0.00 0.79 0.00 0.84 0.00 0.00 0.08 0.47 0.90 0.65 0.00 0.00 0.00 - 10 [ 0.08 .. 0.90]
2409-> MET 48 HE* - LYS 64 HD* [ 1.80 4.19] 0.00 0.00 0.07 0.00 0.43 0.00 0.00 0.00 0.30 0.00 0.52 0.00 0.00 0.00 0.23 1.02 0.29 0.00 0.00 0.00 - 7 [ 0.07 .. 1.02]
2410-> VAL 50 HG2* - GLU 51 HB* [ 1.80 5.30] 0.00 0.00 0.00 0.00 0.16 0.00 0.18 0.00 0.17 0.00 0.15 0.17 0.00 0.18 0.17 0.15 0.00 0.00 0.21 0.17 - 10 [ 0.15 .. 0.21]
2418-> GLU 51 HB* - LYS 56 HD2 [ 1.80 4.61] 0.22 0.23 0.18 0.16 0.13 0.34 0.25 0.25 0.30 0.15 1.08 0.41 0.41 0.02 0.39 0.40 0.50 0.23 0.14 0.34 - 20 [ 0.02 .. 1.08]
2431-> GLU 51 HG* - LYS 56 HD2 [ 1.80 4.87] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.19 0.05 0.00 0.00 0.00 0.03 0.01 0.00 0.00 0.00 - 5 [ 0.01 .. 0.19]
2438-> ASP 53 HB* - GLN 55 HE21 [ 1.80 4.79] 0.66 0.56 0.85 0.00 1.15 0.54 0.20 0.07 0.16 0.18 0.00 2.99 0.45 0.69 0.00 0.18 0.63 3.10 0.08 0.30 - 17 [ 0.07 .. 3.10]
2439-> ASP 53 HB* - GLN 55 HE22 [ 1.80 4.66] 2.29 2.21 2.48 1.52 2.51 2.18 1.88 1.68 1.83 1.86 1.49 3.83 2.09 2.33 1.56 1.83 2.26 4.10 1.76 1.98 - 20 [ 1.49 .. 4.10]
2440-> ASP 53 HB* - LEU 79 HD1* [ 1.80 3.75] 0.00 0.31 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.19 0.15 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.17 - 6 [ 0.15 .. 0.69]
2441-> GLN 55 HE21 - LYS 78 HE* [ 1.80 6.40] 4.78 4.79 4.55 4.98 2.67 4.88 4.52 4.64 4.81 4.87 4.48 0.32 4.29 5.57 4.90 4.61 5.40 1.19 4.70 4.96 - 20 [ 0.32 .. 5.57]
2442-> GLN 55 HE22 - LYS 78 HE* [ 1.80 5.18] 5.60 5.35 5.27 5.71 3.60 5.58 5.12 5.57 5.48 5.45 5.01 2.04 5.00 6.26 5.58 5.73 6.07 2.76 5.32 5.53 - 20 [ 2.04 .. 6.26]
2449-> PHE 57 HZ - LYS 78 HE* [ 1.80 5.50] 0.60 0.64 0.54 0.41 0.37 0.65 0.11 0.67 0.76 0.57 0.30 0.12 0.46 0.69 0.23 0.82 1.06 0.68 0.19 0.56 - 20 [ 0.11 .. 1.06]
2459-> LYS 64 HN - LYS 65 HG* [ 1.80 5.75] 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.59 .. 0.59]
2468-> LYS 65 HN - LYS 65 HG* [ 1.80 3.74] 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.25 .. 0.25]
2482-> LEU 73 HD1* - GLU 77 HG* [ 1.80 4.44] 0.00 0.71 0.00 0.43 0.00 0.00 0.00 0.30 0.00 0.00 0.14 0.51 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.60 - 7 [ 0.14 .. 0.79]
2483-> LEU 73 HD2* - GLU 77 HG* [ 1.80 4.55] 0.00 1.19 0.00 1.26 0.00 0.00 0.00 1.28 0.00 0.00 0.81 1.15 0.00 1.26 0.00 0.00 0.00 0.00 0.00 1.28 - 7 [ 0.81 .. 1.28]
2484-> ALA 74 HN - GLU 77 HG* [ 1.80 5.72] 0.00 1.08 0.00 1.17 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.95 0.00 1.14 0.00 0.00 0.00 0.00 0.00 1.16 - 6 [ 0.95 .. 1.17]
2485-> ALA 74 HA - GLU 77 HG* [ 1.80 4.60] 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.13 - 3 [ 0.04 .. 0.13]
2486-> LEU 76 HB3 - GLU 77 HG* [ 1.80 5.81] 0.00 0.42 0.00 0.24 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.33 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.25 - 6 [ 0.24 .. 0.49]
2487-> GLU 77 HN - GLU 77 HG* [ 1.80 3.53] 0.00 0.47 0.00 0.45 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.46 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.44 - 6 [ 0.44 .. 0.47]
2496-> LYS 78 HE* - LEU 79 HD2* [ 1.80 4.74] 1.92 3.27 1.87 1.98 1.77 3.26 1.82 1.88 1.90 1.93 1.81 2.42 1.89 3.52 1.94 1.92 3.31 3.30 1.80 1.98 - 20 [ 1.77 .. 3.52]
2498-> PRO 81 HB* - ASP 82 HN [ 1.80 3.72] 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 0.00 - 1 [ 0.34 .. 0.34]
2501-> PRO 81 HG* - ASP 82 HN [ 1.80 3.86] 0.00 0.21 0.00 0.00 0.20 0.16 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 .. 0.21]
2505-> THR 83 HB - PRO 84 HD* [ 1.80 3.63] 0.00 0.00 0.00 0.55 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.51 0.52 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.41 .. 0.55]
2509-> PRO 84 HB* - LEU 85 HD1* [ 1.80 5.16] 0.66 0.75 0.83 0.67 0.78 0.62 0.53 0.59 0.67 0.33 0.65 0.67 0.67 0.75 0.64 0.75 0.78 0.70 0.20 0.59 - 20 [ 0.20 .. 0.83]
2532-> PRO 19 O - LEU 23 HN [ 1.80 2.20] 0.00 0.00 0.00 0.37 0.00 0.00 0.11 0.00 0.14 0.00 0.00 0.00 0.00 0.16 0.32 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.11 .. 0.37]
2533-> PRO 19 O - LEU 23 N [ 1.80 3.30] 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.06 .. 0.20]
2536-> GLU 22 O - GLU 25 HN [ 1.80 2.20] 0.61 0.10 0.00 0.47 0.34 0.50 0.43 0.39 0.28 0.38 0.03 0.10 0.31 0.31 0.32 0.26 0.32 0.28 0.43 0.37 - 19 [ 0.03 .. 0.61]
2537-> GLU 22 O - GLU 25 N [ 1.80 3.30] 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
2538-> GLU 22 O - LYS 26 HN [ 1.80 2.20] 0.61 0.60 0.21 0.12 0.00 0.24 0.00 0.03 0.00 0.02 0.09 0.00 0.22 0.60 0.67 1.01 0.81 0.57 0.19 0.07 - 16 [ 0.02 .. 1.01]
2539-> GLU 22 O - LYS 26 N [ 1.80 3.30] 0.18 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.19 0.37 0.35 0.23 0.00 0.00 - 7 [ 0.16 .. 0.37]
2544-> SER 36 HN - VAL 47 O [ 1.80 2.20] 0.23 0.12 0.00 0.02 0.09 0.19 0.03 0.00 0.15 0.05 0.03 0.06 0.37 0.00 0.00 0.05 0.00 0.10 0.13 0.00 - 14 [ 0.02 .. 0.37]
2545-> SER 36 N - VAL 47 O [ 1.80 3.30] 0.08 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.05 .. 0.21]
2558-> ASN 63 O - ALA 67 HN [ 1.80 2.20] 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.05 0.00 0.00 0.00 - 3 [ 0.03 .. 0.19]
2560-> LYS 64 O - LYS 68 HN [ 1.80 2.20] 0.01 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.13 0.00 0.00 0.00 0.00 - 4 [ 0.01 .. 0.13]
2562-> LYS 65 O - ALA 69 HN [ 1.80 2.20] 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.15 .. 0.53]
2563-> LYS 65 O - ALA 69 N [ 1.80 3.30] 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.28 .. 0.28]
2570-> TYR 70 O - ALA 74 HN [ 1.80 2.20] 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 - 2 [ 0.16 .. 0.32]
2571-> TYR 70 O - ALA 74 N [ 1.80 3.30] 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
2572-> ALA 72 O - LEU 76 HN [ 1.80 2.20] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.11 0.01 0.00 0.00 - 4 [ 0.01 .. 0.11]
-------------------------------------------
Number of Violations greater than 0.10 211 221 174 201 233 246 217 198 194 191 237 257 208 283 199 200 211 214 215 228
-------------------------------------------
---- 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: 24 23 21 23 30 22 25 16 37 24 23 32 17 39 24 22 22 19 24 30 24.85
0.2 - 0.5 ang: 48 62 53 61 68 60 68 59 54 69 63 63 57 79 55 53 57 52 56 58 59.75
> 0.5 ang: 139 136 100 117 135 164 124 123 103 98 151 162 134 165 120 125 132 143 135 140 132.30
Total : 241 246 193 226 261 278 247 237 233 227 265 291 237 320 226 230 242 241 240 260 247.05
Minimum Violation : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Maximum Violation : 7.217 7.406 7.093 5.713 5.543 7.187 5.115 5.889 5.479 5.452 5.013 6.496 7.647 6.260 5.584 5.727 6.543 8.622 5.324 5.529 8.622
Max Intra Viol : 1.513 1.506 1.511 1.503 1.503 1.516 1.531 1.517 1.488 1.500 1.451 1.468 1.458 1.502 1.491 1.851 1.505 1.479 1.488 1.495 1.851
Max Seque Viol : 2.003 4.306 1.964 2.079 3.104 4.238 1.825 2.150 1.903 2.287 1.808 2.417 3.073 4.497 1.976 2.137 4.302 4.352 1.847 2.044 4.497
Max Medium Viol : 5.678 5.087 5.030 5.113 3.056 5.569 4.655 5.154 3.179 4.871 2.919 4.793 4.667 4.613 4.562 3.193 3.653 5.489 3.147 3.347 5.678
Max Long Viol : 7.217 7.406 7.093 5.713 5.543 7.187 5.115 5.889 5.479 5.452 5.013 6.496 7.647 6.260 5.584 5.727 6.543 8.622 5.324 5.529 8.622
Average Violation : 0.085 0.082 0.061 0.074 0.076 0.104 0.077 0.079 0.060 0.065 0.081 0.100 0.083 0.100 0.072 0.070 0.081 0.093 0.077 0.078 0.07982
Avge Intra Viol : 0.023 0.023 0.018 0.022 0.022 0.026 0.017 0.018 0.017 0.017 0.021 0.025 0.023 0.026 0.013 0.019 0.019 0.023 0.021 0.021 0.02077
Avge Seque Viol : 0.144 0.118 0.089 0.122 0.095 0.156 0.125 0.121 0.062 0.100 0.102 0.145 0.119 0.108 0.107 0.078 0.103 0.155 0.114 0.106 0.11341
Avge Mediu Viol : 0.063 0.109 0.070 0.077 0.085 0.118 0.064 0.075 0.059 0.070 0.067 0.080 0.081 0.131 0.059 0.063 0.099 0.106 0.066 0.070 0.08059
Avge Long Viol : 0.098 0.080 0.066 0.074 0.094 0.111 0.091 0.094 0.089 0.071 0.114 0.132 0.099 0.125 0.096 0.102 0.097 0.089 0.096 0.102 0.09602
RMS Violation : 0.413 0.402 0.350 0.374 0.335 0.461 0.363 0.405 0.304 0.339 0.344 0.436 0.400 0.426 0.360 0.333 0.400 0.455 0.352 0.348 0.38237
RMS Intra : 0.119 0.128 0.105 0.119 0.120 0.135 0.106 0.110 0.106 0.108 0.118 0.125 0.120 0.129 0.094 0.123 0.115 0.125 0.116 0.119 0.11725
RMS Sequential : 0.559 0.485 0.452 0.484 0.398 0.578 0.503 0.505 0.289 0.452 0.386 0.592 0.504 0.452 0.450 0.351 0.441 0.630 0.446 0.400 0.47477
RMS Medium range : 0.271 0.455 0.289 0.312 0.326 0.476 0.265 0.305 0.266 0.290 0.272 0.326 0.326 0.494 0.263 0.277 0.449 0.447 0.276 0.290 0.34289
RMS Long range : 0.483 0.428 0.404 0.428 0.388 0.501 0.404 0.496 0.410 0.375 0.440 0.494 0.475 0.492 0.442 0.433 0.460 0.455 0.417 0.434 0.44445
Final --global-- Summary for 20 models, 2577 NOEs/model, 51540 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 4113.706
Summ sq. viol : 7535.401
Maximum viol : 8.622
Average viol : 0.07982
RMSD viol : 0.38237
Std. Dev. viol : 0.37394
RMS Intra : 0.11725
RMS Seque : 0.47477
RMS Medi : 0.34289
RMS Long : 0.44445
table of dihedral angle constraints violations
1-> [VAL A 20] PHI -85.8 -45.8 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 1.1 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.1]
5-> [GLU A 22] PHI -84.7 -44.7 0.0 0.0 4.7 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 - 1 [ 0.0 .. 4.7]
12-> [GLU A 25] PSI -60.2 -11.4 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 6.4 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 6.4]
14-> [LYS A 26] PSI -43.9 30.9 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 0.0 0.5 0.0 3.0 0.0 0.0 0.0 - 2 [ 0.0 .. 3.0]
15-> [TYR A 32] PHI -125.8 -56.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 4.3]
16-> [TYR A 32] PSI 102.5 148.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 13.3 0.0 0.2 0.0 2.5 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 13.3]
23-> [GLU A 37] PHI -163.4 -86.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.3 - 2 [ 0.0 .. 2.8]
24-> [GLU A 37] PSI 98.8 169.3 0.0 0.0 0.0 6.3 0.0 0.0 0.0 2.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 28.9 0.0 0.0 0.0 - 3 [ 0.0 .. 28.9]
25-> [THR A 38] PHI -163.0 -85.4 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 3.6 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.6]
26-> [THR A 38] PSI 130.6 -172.6 0.0 0.0 2.8 0.0 0.0 10.6 0.0 23.5 10.6 0.0 9.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.7 - 6 [ 0.0 .. 23.5]
41-> [GLN A 55] PHI -144.8 -92.7 0.0 0.7 0.0 0.0 0.0 0.0 2.7 0.0 2.6 0.0 2.9 2.8 1.7 0.0 2.6 0.0 0.1 0.0 0.0 2.5 - 9 [ 0.0 .. 2.9]
42-> [GLN A 55] PSI 111.0 -172.5 0.0 3.3 0.0 0.8 12.0 0.0 2.1 0.0 0.6 8.3 1.3 0.0 0.0 0.0 1.2 0.0 2.0 0.0 6.9 3.9 - 11 [ 0.0 .. 12.0]
78-> [LEU A 76] PSI -58.3 -18.3 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 7.3 0.0 0.0 0.0 - 1 [ 0.0 .. 7.3]
79-> [GLU A 77] PHI -94.9 -47.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.7 0.0 0.0 0.0 - 1 [ 0.0 .. 2.7]
80-> [GLU A 77] PSI -54.1 -14.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.9]
81-> [LYS A 78] PHI -106.0 -52.2 1.5 0.0 2.4 0.0 0.1 0.0 1.2 0.0 4.0 0.0 4.5 0.0 1.1 0.0 2.9 0.7 0.0 0.0 3.3 0.0 - 10 [ 0.0 .. 4.5]
82-> [LYS A 78] PSI -53.2 9.0 0.0 4.2 0.0 0.0 0.0 5.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.2 0.0 0.0 0.0 - 3 [ 0.0 .. 5.6]
---- 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 : 1 2 3 1 0 1 3 1 2 1 6 2 2 0 6 1 5 0 2 3 2.10
> 10. degrees : 0 0 0 0 1 1 0 1 1 0 1 0 0 0 0 0 1 0 0 0 0.30
Total : 1 3 3 2 2 2 3 3 4 1 7 2 3 0 7 2 7 0 2 4 2.90
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 : 1.5 4.2 4.7 6.3 12.0 10.6 2.7 23.5 10.6 8.3 13.3 2.8 1.7 0.0 3.6 6.4 28.9 0.0 6.9 3.9 28.88
Max PHI Viol : 1.5 0.7 4.7 0.0 0.1 0.0 2.7 0.4 4.0 0.0 4.5 2.8 1.7 0.0 3.6 0.7 2.7 0.0 3.3 2.5 4.68
Max PSI Viol : 0.0 4.2 2.8 6.3 12.0 10.6 2.1 23.5 10.6 8.3 13.3 0.0 0.2 0.0 2.5 6.4 28.9 0.0 6.9 3.9 28.88
Average Violation : 0.0 0.1 0.1 0.1 0.1 0.2 0.1 0.3 0.2 0.1 0.5 0.1 0.0 0.0 0.2 0.1 0.6 0.0 0.1 0.1 0.148
Avge PHI Viol : 0.192 0.133 0.410 0.000 0.042 0.000 0.303 0.096 0.394 0.000 0.526 0.364 0.260 0.000 0.495 0.125 0.258 0.000 0.278 0.340 0.272
Avge PSI Viol : 0.000 0.423 0.259 0.412 0.535 0.622 0.225 0.780 0.518 0.445 0.796 0.000 0.077 0.000 0.316 0.390 1.028 0.000 0.406 0.334 0.471
RMS Violation : 0.169 0.589 0.650 0.694 1.312 1.311 0.394 2.570 1.272 0.907 1.940 0.429 0.224 0.000 0.669 0.702 3.305 0.000 0.834 0.576 1.241
RMS PHI Viol : 0.238 0.115 0.810 0.000 0.011 0.000 0.450 0.060 0.726 0.000 1.054 0.606 0.315 0.000 0.840 0.101 0.414 0.000 0.502 0.529 0.472
RMS PSI Viol : 0.000 0.825 0.435 0.981 1.856 1.855 0.328 3.634 1.646 1.282 2.534 0.000 0.039 0.000 0.435 0.988 4.656 0.000 1.068 0.619 1.691
Final --global-- Summary for 20 models, 84 ACOs/model, 1680 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 248.41
Summ. Sq. Viol. : 2588.17
Max. Viol. : 28.875
Avg. Viol. : 0.14786
RMS Viol. : 1.24120
Std. Dev. Viol. : 1.23236
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 0.563 0.998 0.611 0.648
GLY A 2 0.302 0.248
HIS A 3 0.550 0.424 0.502 0.443
HIS A 4 0.650 0.591 0.605 0.462
HIS A 5 0.870 0.606 0.338 0.340
HIS A 6 0.708 0.705 0.785 0.719
HIS A 7 0.726 0.419 0.521 0.640
HIS A 8 0.637 0.423 0.671 0.732
SER A 9 0.529 0.383 0.199
HIS A 10 0.735 0.722 0.357 0.395
MET A 11 0.874 0.816 0.496 0.316 0.514 11
LEU A 12 0.990 0.882 0.999 0.999 12
THR A 13 0.858 0.445 0.549
LYS A 14 0.708 0.260 0.529 0.862 0.999 1.000
HIS A 15 0.618 0.307 0.698 0.725
GLY A 16 0.264 0.966
LYS A 17 0.981 0.666 0.757 0.734 0.859 0.994
ASN A 18 0.750 0.992 0.932 0.887
PRO A 19 0.997 0.997 0.982 0.970 19 19
VAL A 20 0.994 0.999 1.000 20 20
MET A 21 0.997 0.992 0.864 0.515 0.459 21 21
GLU A 22 0.991 0.995 0.879 0.703 0.790 22 22
LEU A 23 0.998 0.999 1.000 1.000 23 23
ASN A 24 0.997 0.993 0.795 0.845 24 24
GLU A 25 0.994 0.991 0.869 0.999 0.981 25 25
LYS A 26 0.991 0.995 0.994 0.999 0.998 0.937 26 26
ARG A 27 0.991 0.944 0.602 0.460 0.605 0.718 1.000 27 27
ARG A 28 0.934 0.985 0.482 0.998 0.268 0.994 1.000 28 28
GLY A 29 0.993 0.990 29 29
LEU A 30 0.980 0.993 0.997 0.999 30 30
LYS A 31 0.986 0.989 0.627 0.933 0.817 0.928 31 31
TYR A 32 0.986 0.975 0.999 0.995 32 32
GLU A 33 0.985 0.997 0.844 1.000 1.000 33 33
LEU A 34 0.998 0.997 0.999 1.000 34 34
ILE A 35 0.995 0.998 0.998 0.561 35 35
SER A 36 0.991 0.989 0.640 36 36
GLU A 37 0.975 0.910 0.455 0.943 0.959 37 37
THR A 38 0.965 0.922 0.034 38 38
GLY A 39 0.706 0.369
GLY A 40 0.249 0.418
SER A 41 0.528 0.746 0.205
HIS A 42 0.587 0.369 0.348 0.541
ASP A 43 0.465 0.763 0.568 0.969
LYS A 44 0.911 0.895 0.997 0.633 0.997 0.929 44
ARG A 45 0.968 0.950 0.867 0.544 0.939 0.701 1.000 45 45
PHE A 46 0.990 0.995 0.998 0.997 46 46
VAL A 47 0.996 0.998 1.000 47 47
MET A 48 0.997 0.999 1.000 0.939 0.843 48 48
GLU A 49 0.997 0.998 1.000 0.999 0.926 49 49
VAL A 50 0.997 0.997 0.493 50 50
GLU A 51 0.995 0.999 0.999 0.999 0.937 51 51
VAL A 52 0.996 0.990 1.000 52 52
ASP A 53 0.999 0.997 0.771 0.843 53 53
GLY A 54 0.999 0.992 54 54
GLN A 55 0.993 0.979 0.845 0.837 0.829 55 55
LYS A 56 0.991 0.998 1.000 0.999 1.000 1.000 56 56
PHE A 57 0.999 0.999 0.999 0.700 57 57
GLN A 58 1.000 0.999 1.000 1.000 0.999 58 58
GLY A 59 0.997 0.997 59 59
ALA A 60 0.990 0.995 60 60
GLY A 61 0.990 0.932 61 61
SER A 62 0.909 0.936 0.689 62 62
ASN A 63 0.967 0.993 0.675 0.924 63 63
LYS A 64 0.998 0.991 0.718 0.999 1.000 0.999 64 64
LYS A 65 0.993 0.996 0.934 1.000 0.999 1.000 65 65
VAL A 66 0.998 0.995 0.915 66 66
ALA A 67 1.000 0.999 67 67
LYS A 68 0.999 0.998 0.648 0.991 0.341 0.999 68 68
ALA A 69 1.000 0.999 69 69
TYR A 70 0.998 0.996 0.914 0.895 70 70
ALA A 71 0.999 0.999 71 71
ALA A 72 0.999 0.999 72 72
LEU A 73 1.000 0.999 0.999 1.000 73 73
ALA A 74 0.999 1.000 74 74
ALA A 75 1.000 0.999 75 75
LEU A 76 0.998 0.986 0.999 1.000 76 76
GLU A 77 0.983 0.984 0.578 1.000 0.977 77 77
LYS A 78 0.993 0.981 0.993 0.622 0.999 0.998 78 78
LEU A 79 0.973 0.996 0.692 0.658 79 79
PHE A 80 0.997 0.990 0.998 0.898 80 80
PRO A 81 0.990 0.976 0.944 0.908 81 81
ASP A 82 0.991 0.714 0.883 0.905
THR A 83 0.917 0.971 0.655 83 83
PRO A 84 0.988 0.859 0.895 0.812 84
LEU A 85 0.833 0.962 0.226 0.623 85
ALA A 86 0.776 0.747
LEU A 87 0.887 0.950 0.925 0.848 87
ASP A 88 0.689 0.426 0.444 0.904
ALA A 89 0.626 0.514
ASN A 90 0.734 0.416 0.327 0.915
LYS A 91 0.808 0.569 0.932 1.000 1.000
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 `HR4527E_R3_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. A[19..38],A[45..81],for model 1 is: 0.482
> Kabsch RMSD of backbone atoms in res. A[19..38],A[45..81],for model 2 is: 0.432
> Kabsch RMSD of backbone atoms in res. A[19..38],A[45..81],for model 3 is: 0.400
> Kabsch RMSD of backbone atoms in res. A[19..38],A[45..81],for model 4 is: 0.345
> Kabsch RMSD of backbone atoms in res. A[19..38],A[45..81],for model 5 is: 0.395
> Kabsch RMSD of backbone atoms in res. A[19..38],A[45..81],for model 6 is: 0.454
> Kabsch RMSD of backbone atoms in res. A[19..38],A[45..81],for model 7 is: 0.480
> Kabsch RMSD of backbone atoms in res. A[19..38],A[45..81],for model 8 is: 0.444
> Kabsch RMSD of backbone atoms in res. A[19..38],A[45..81],for model 9 is: 0.564
> Kabsch RMSD of backbone atoms in res. A[19..38],A[45..81],for model 10 is: 0.453
> Kabsch RMSD of backbone atoms in res. A[19..38],A[45..81],for model 11 is: 0.430
> Kabsch RMSD of backbone atoms in res. A[19..38],A[45..81],for model 12 is: 0.623
> Kabsch RMSD of backbone atoms in res. A[19..38],A[45..81],for model 13 is: 0.438
> Kabsch RMSD of backbone atoms in res. A[19..38],A[45..81],for model 14 is: 0.565
> Kabsch RMSD of backbone atoms in res. A[19..38],A[45..81],for model 15 is: 0.310 (*)
> Kabsch RMSD of backbone atoms in res. A[19..38],A[45..81],for model 16 is: 0.461
> Kabsch RMSD of backbone atoms in res. A[19..38],A[45..81],for model 17 is: 0.557
> Kabsch RMSD of backbone atoms in res. A[19..38],A[45..81],for model 18 is: 0.546
> Kabsch RMSD of backbone atoms in res. A[19..38],A[45..81],for model 19 is: 0.390
> Kabsch RMSD of backbone atoms in res. A[19..38],A[45..81],for model 20 is: 0.364
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[19..38],[45..81], is: 0.457
> Range of RMSD values to reference struct. is 0.310 to 0.623
> Kabsch RMSD of heavy atoms in res. A[19..38],A[45..81],for model 1 is: 0.890
> Kabsch RMSD of heavy atoms in res. A[19..38],A[45..81],for model 2 is: 0.819
> Kabsch RMSD of heavy atoms in res. A[19..38],A[45..81],for model 3 is: 0.783
> Kabsch RMSD of heavy atoms in res. A[19..38],A[45..81],for model 4 is: 0.735
> Kabsch RMSD of heavy atoms in res. A[19..38],A[45..81],for model 5 is: 0.909
> Kabsch RMSD of heavy atoms in res. A[19..38],A[45..81],for model 6 is: 0.873
> Kabsch RMSD of heavy atoms in res. A[19..38],A[45..81],for model 7 is: 0.773
> Kabsch RMSD of heavy atoms in res. A[19..38],A[45..81],for model 8 is: 0.784
> Kabsch RMSD of heavy atoms in res. A[19..38],A[45..81],for model 9 is: 0.859
> Kabsch RMSD of heavy atoms in res. A[19..38],A[45..81],for model 10 is: 0.880
> Kabsch RMSD of heavy atoms in res. A[19..38],A[45..81],for model 11 is: 0.995
> Kabsch RMSD of heavy atoms in res. A[19..38],A[45..81],for model 12 is: 1.061
> Kabsch RMSD of heavy atoms in res. A[19..38],A[45..81],for model 13 is: 0.811
> Kabsch RMSD of heavy atoms in res. A[19..38],A[45..81],for model 14 is: 1.029
> Kabsch RMSD of heavy atoms in res. A[19..38],A[45..81],for model 15 is: 0.713
> Kabsch RMSD of heavy atoms in res. A[19..38],A[45..81],for model 16 is: 0.887
> Kabsch RMSD of heavy atoms in res. A[19..38],A[45..81],for model 17 is: 0.933
> Kabsch RMSD of heavy atoms in res. A[19..38],A[45..81],for model 18 is: 1.016
> Kabsch RMSD of heavy atoms in res. A[19..38],A[45..81],for model 19 is: 0.660 (*)
> Kabsch RMSD of heavy atoms in res. A[19..38],A[45..81],for model 20 is: 0.768
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[19..38],[45..81], is: 0.859
> Range of RMSD values to reference struct. is 0.660 to 1.061
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..91],for model 1 is: 4.431
> Kabsch RMSD of backb atoms in res. *[1..91],for model 2 is: 3.177
> Kabsch RMSD of backb atoms in res. *[1..91],for model 3 is: 6.349
> Kabsch RMSD of backb atoms in res. *[1..91],for model 4 is: 6.743
> Kabsch RMSD of backb atoms in res. *[1..91],for model 5 is: 4.870
> Kabsch RMSD of backb atoms in res. *[1..91],for model 6 is: 3.495
> Kabsch RMSD of backb atoms in res. *[1..91],for model 7 is: 2.915 (*)
> Kabsch RMSD of backb atoms in res. *[1..91],for model 8 is: 4.961
> Kabsch RMSD of backb atoms in res. *[1..91],for model 9 is: 4.060
> Kabsch RMSD of backb atoms in res. *[1..91],for model 10 is: 3.207
> Kabsch RMSD of backb atoms in res. *[1..91],for model 11 is: 3.543
> Kabsch RMSD of backb atoms in res. *[1..91],for model 12 is: 3.777
> Kabsch RMSD of backb atoms in res. *[1..91],for model 13 is: 4.632
> Kabsch RMSD of backb atoms in res. *[1..91],for model 14 is: 4.285
> Kabsch RMSD of backb atoms in res. *[1..91],for model 15 is: 3.443
> Kabsch RMSD of backb atoms in res. *[1..91],for model 16 is: 3.900
> Kabsch RMSD of backb atoms in res. *[1..91],for model 17 is: 3.544
> Kabsch RMSD of backb atoms in res. *[1..91],for model 18 is: 3.686
> Kabsch RMSD of backb atoms in res. *[1..91],for model 19 is: 6.680
> Kabsch RMSD of backb atoms in res. *[1..91],for model 20 is: 4.334
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..91], is: 4.302
> Range of RMSD values to reference struct. is 2.915 to 6.743
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..91],for model 1 is: 4.675
> Kabsch RMSD of heavy atoms in res. *[1..91],for model 2 is: 3.654
> Kabsch RMSD of heavy atoms in res. *[1..91],for model 3 is: 6.596
> Kabsch RMSD of heavy atoms in res. *[1..91],for model 4 is: 7.063
> Kabsch RMSD of heavy atoms in res. *[1..91],for model 5 is: 5.177
> Kabsch RMSD of heavy atoms in res. *[1..91],for model 6 is: 3.763
> Kabsch RMSD of heavy atoms in res. *[1..91],for model 7 is: 3.442 (*)
> Kabsch RMSD of heavy atoms in res. *[1..91],for model 8 is: 5.426
> Kabsch RMSD of heavy atoms in res. *[1..91],for model 9 is: 4.536
> Kabsch RMSD of heavy atoms in res. *[1..91],for model 10 is: 3.735
> Kabsch RMSD of heavy atoms in res. *[1..91],for model 11 is: 4.008
> Kabsch RMSD of heavy atoms in res. *[1..91],for model 12 is: 4.111
> Kabsch RMSD of heavy atoms in res. *[1..91],for model 13 is: 5.104
> Kabsch RMSD of heavy atoms in res. *[1..91],for model 14 is: 4.875
> Kabsch RMSD of heavy atoms in res. *[1..91],for model 15 is: 3.872
> Kabsch RMSD of heavy atoms in res. *[1..91],for model 16 is: 4.264
> Kabsch RMSD of heavy atoms in res. *[1..91],for model 17 is: 4.115
> Kabsch RMSD of heavy atoms in res. *[1..91],for model 18 is: 4.003
> Kabsch RMSD of heavy atoms in res. *[1..91],for model 19 is: 6.898
> Kabsch RMSD of heavy atoms in res. *[1..91],for model 20 is: 5.058
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..91], is: 4.719
> Range of RMSD values to reference struct. is 3.442 to 7.063
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 4.3 0.5 0.5
All heavy atoms 4.7 0.9 0.9
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 >>>----------+
| |
| HR4527E_R3_em_bcr3_020.rin 0.0 1160 residues |
| |
*| Ramachandran plot: 91.8% core 8.1% allow 0.0% gener 0.1% disall |
| |
+| All Ramachandrans: 3 labelled residues (out of1160) |
+| Chi1-chi2 plots: 1 labelled residues (out of 740) |
JPEG image for all model Ramachandran Plot
Residue Properties for all models
JPEG for all model Residue Properties
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
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
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
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
19 0.23
20 0.18
21 0.72
22 0.66
23 1.03
24 0.84
25 0.37
26 -0.20
27 -1.21
28 -0.40
29 -1.00
30 -0.37
31 -0.81
32 -0.22
33 -0.48
34 -0.15
35 -1.49
36 -0.21
37 -1.27
38 -0.62
44 -0.96
45 -1.01
46 0.06
47 0.35
48 -0.58
49 -0.65
50 0.41
51 -0.77
52 -0.71
53 -0.47
54 0.68
55 -0.68
56 -0.29
57 0.15
58 -0.66
59 -0.18
60 -0.50
61 -0.38
62 0.06
63 -0.52
64 0.97
65 0.61
66 0.67
67 0.92
68 1.17
69 0.97
70 0.81
71 0.85
72 0.75
73 1.13
74 0.86
75 0.85
76 0.81
77 0.24
78 -1.30
79 -0.89
80 -1.86
81 -0.36
#Reported_Model_Average -0.066
#Overall_Average_Reported -0.066
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
19 0.23
20 0.41
21 0.75
22 0.55
23 0.76
24 0.90
25 0.76
26 -0.01
27 -0.65
28 0.18
29 -1.00
30 0.18
31 0.10
32 0.09
33 0.27
34 0.18
35 -0.62
36 0.14
37 -0.53
38 -0.27
44 -0.07
45 -0.22
46 0.07
47 0.42
48 0.10
49 0.08
50 0.08
51 0.01
52 -0.12
53 -0.36
54 0.68
55 -0.11
56 0.50
57 0.23
58 0.24
59 -0.18
60 -0.50
61 -0.38
62 0.37
63 -0.49
64 1.07
65 0.94
66 0.62
67 0.92
68 1.03
69 0.97
70 -0.07
71 0.85
72 0.75
73 0.80
74 0.86
75 0.85
76 0.80
77 0.59
78 -0.45
79 -0.07
80 -0.62
81 -0.36
#Reported_Model_Average 0.211
#Overall_Average_Reported 0.211
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
19 -1.56 -1.56 -0.97 -0.97 -0.97 -0.97 -1.56 -0.97 -1.56 -0.97 -0.97 -0.97 -0.97 -1.56 -1.56 -1.56 -0.97 -1.56 -1.56 -1.56
20 0.30 0.30 -0.62 0.30 0.30 0.30 0.30 -0.29 0.30 -0.29 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 -0.29
21 -0.27 -0.27 0.87 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27
22 -0.43 -0.58 -2.15 -0.58 -0.43 -0.58 -0.58 -0.58 -2.15 -0.58 -0.58 -0.58 -0.58 0.09 -0.43 0.09 -0.58 -0.43 -2.15 -0.58
23 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
24 -0.02 -0.58 -0.02 -0.58 -0.02 -0.02 -0.58 -0.58 -0.02 -0.02 -0.02 -0.02 -0.58 -0.02 -0.58 -0.02 -0.58 -0.02 -0.58 -0.58
25 0.62 0.62 -0.58 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
26 0.66 0.56 0.56 0.66 0.66 0.56 0.56 0.56 0.66 0.56 0.56 0.66 0.66 0.66 0.56 0.66 0.66 0.56 0.66 0.56
27 0.71 0.24 0.24 0.71 0.24 0.71 0.24 0.24 0.24 0.24 0.24 0.71 0.24 0.24 0.71 0.71 0.24 0.71 0.24 0.24
28 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41
29 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
30 0.77 0.77 0.77 0.29 0.29 0.77 0.29 0.29 0.29 0.77 0.29 0.77 0.29 0.29 0.29 0.29 0.29 0.77 0.77 0.77
31 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.35 0.55 -1.54 0.55 0.55 0.55 0.55 0.55 0.55 0.55
32 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 0.17 0.17 1.30 1.30
33 -0.37 0.41 -0.37 0.41 0.41 -0.37 0.41 0.41 0.41 0.41 0.41 0.41 -0.37 0.41 0.41 0.41 0.41 0.41 0.41 0.41
34 -1.33 -1.33 -1.33 -1.33 -0.81 -1.33 -0.81 -1.33 -1.33 0.14 -1.33 -1.33 -0.81 -0.81 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33
35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35
36 0.65 0.65 0.65 0.49 0.65 0.65 0.65 0.65 0.65 0.65 0.65 0.65 0.49 0.65 0.49 0.65 0.49 0.65 0.65 0.65
37 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 -0.68 0.41 0.41 0.41 -0.68 0.41 0.41 0.41 -0.68
38 0.79 -0.17 0.79 0.79 -0.17 0.79 -0.17 0.79 0.79 0.79 0.79 0.79 0.79 -0.17 -0.17 -0.17 -0.17 -0.17 0.79 0.79
44 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
45 0.19 0.19 0.19 0.19 0.84 -1.12 0.84 0.19 0.19 0.19 0.19 0.19 0.19 -1.12 0.19 0.19 0.19 0.19 0.84 0.84
46 0.37 0.37 0.37 0.37 1.32 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 1.32 0.37 0.37 0.37 0.37
47 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
48 0.51 0.49 0.49 0.49 0.49 0.51 0.49 0.51 0.49 0.51 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.51
49 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.68 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42
50 1.18 0.71 0.71 1.18 0.71 0.71 1.18 1.18 0.71 1.18 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 1.18 0.71
51 -0.68 -0.68 -0.68 -0.68 -0.42 -0.68 -0.42 -0.68 -0.68 -0.42 -0.68 -0.42 0.41 -0.68 -0.42 -0.42 -0.68 -0.68 -0.68 -0.42
52 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18
53 0.51 0.23 0.23 0.51 0.51 0.51 0.23 0.34 0.23 0.23 0.51 0.51 0.23 0.51 0.51 0.51 0.51 0.34 0.23 0.23
54 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
55 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 -0.79 0.10 0.10
56 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
57 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 1.32 0.37 0.37 0.37 0.37 1.32 1.32 0.37 0.37
58 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10
59 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75
60 0.59 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.59 -0.52 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.59 0.59 0.59
61 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75
62 0.17 0.17 0.34 0.34 0.59 0.59 0.59 0.34 0.17 0.17 0.17 0.17 0.59 0.34 0.17 0.17 0.17 0.17 0.17 0.17
63 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 -0.26 0.51 -0.26 -0.26 0.51 -0.26 0.51 0.51 0.51 0.51 0.51
64 -0.50 -0.50 -0.50 0.66 0.66 0.66 0.66 0.66 -0.50 -0.50 -0.50 0.66 0.66 0.66 -0.50 0.66 -0.50 -0.50 -0.50 0.66
65 0.66 0.07 0.07 0.07 0.07 0.66 0.66 0.66 0.66 0.07 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66
66 -0.29 -0.29 0.30 0.30 -0.29 0.41 -0.29 -0.62 0.30 0.41 -0.29 0.74 0.41 0.30 0.41 -0.29 0.30 -0.29 -0.29 0.41
67 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
68 -0.94 -0.94 -0.50 -0.50 -0.94 -1.37 -0.94 -1.37 -0.50 -0.50 -0.94 -0.94 0.56 -0.50 -0.50 -0.50 -0.50 -0.94 -0.94 -1.37
69 0.76 0.76 0.76 0.76 0.76 0.76 0.76 -0.02 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
70 -0.55 -0.88 -0.88 0.50 -0.55 0.50 0.50 0.50 0.50 0.50 -0.88 -0.88 -0.88 -0.55 0.50 -0.55 -0.88 0.50 0.50 0.50
71 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
72 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
73 -0.30 -0.30 -0.30 0.16 -0.30 -0.46 0.16 0.71 0.71 0.16 -0.30 -0.30 -0.30 1.30 0.16 -0.30 0.71 0.71 0.16 -0.30
74 -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 -0.02 -0.02 -0.02 0.76 -0.02 -0.02 -0.02
75 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
76 0.71 0.71 1.30 1.30 0.71 0.71 0.71 0.71 0.71 0.71 1.30 0.71 0.71 0.71 1.30 1.30 0.71 0.71 0.71 1.30
77 0.62 0.62 0.62 0.62 0.62 0.62 -0.43 0.62 -0.43 -0.43 -0.43 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
78 0.66 0.56 0.66 0.66 0.66 0.07 0.66 0.66 0.66 0.56 0.66 -0.50 0.66 0.07 0.66 0.66 0.07 0.66 0.66 0.56
79 0.71 -0.30 0.71 0.16 0.71 -0.30 0.71 0.71 0.71 0.71 0.16 0.16 0.71 0.71 0.71 0.71 -0.30 0.71 0.71 0.71
80 1.04 1.04 1.04 1.04 1.40 1.04 1.04 0.71 1.04 1.04 1.04 0.71 1.04 1.40 1.04 1.04 1.04 1.04 1.04 1.04
81 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
#Reported_Model_Average 0.366 0.284 0.313 0.415 0.384 0.353 0.379 0.364 0.355 0.375 0.326 0.349 0.357 0.389 0.371 0.387 0.337 0.366 0.364 0.382
#Overall_Average_Reported 0.361
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
19 -1.56 -1.56 -0.97 -0.97 -0.97 -0.97 -1.56 -0.97 -1.56 -0.97 -0.97 -0.97 -0.97 -1.56 -1.56 -1.56 -0.97 -1.56 -1.56 -1.56
20 0.30 0.30 -0.62 0.30 0.30 0.30 0.30 -0.29 0.30 -0.29 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 -0.29
21 -0.27 -0.27 0.87 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27
22 -0.43 -0.58 -2.15 -0.58 -0.43 -0.58 -0.58 -0.58 -2.15 -0.58 -0.58 -0.58 -0.58 0.09 -0.43 0.09 -0.58 -0.43 -2.15 -0.58
23 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
24 -0.02 -0.58 -0.02 -0.58 -0.02 -0.02 -0.58 -0.58 -0.02 -0.02 -0.02 -0.02 -0.58 -0.02 -0.58 -0.02 -0.58 -0.02 -0.58 -0.58
25 0.62 0.62 -0.58 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
26 0.66 0.56 0.56 0.66 0.66 0.56 0.56 0.56 0.66 0.56 0.56 0.66 0.66 0.66 0.56 0.66 0.66 0.56 0.66 0.56
27 0.71 0.24 0.24 0.71 0.24 0.71 0.24 0.24 0.24 0.24 0.24 0.71 0.24 0.24 0.71 0.71 0.24 0.71 0.24 0.24
28 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41
29 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
30 0.77 0.77 0.77 0.29 0.29 0.77 0.29 0.29 0.29 0.77 0.29 0.77 0.29 0.29 0.29 0.29 0.29 0.77 0.77 0.77
31 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.35 0.55 -1.54 0.55 0.55 0.55 0.55 0.55 0.55 0.55
32 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 0.17 0.17 1.30 1.30
33 -0.37 0.41 -0.37 0.41 0.41 -0.37 0.41 0.41 0.41 0.41 0.41 0.41 -0.37 0.41 0.41 0.41 0.41 0.41 0.41 0.41
34 -1.33 -1.33 -1.33 -1.33 -0.81 -1.33 -0.81 -1.33 -1.33 0.14 -1.33 -1.33 -0.81 -0.81 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33
35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35
36 0.65 0.65 0.65 0.49 0.65 0.65 0.65 0.65 0.65 0.65 0.65 0.65 0.49 0.65 0.49 0.65 0.49 0.65 0.65 0.65
37 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 -0.68 0.41 0.41 0.41 -0.68 0.41 0.41 0.41 -0.68
38 0.79 -0.17 0.79 0.79 -0.17 0.79 -0.17 0.79 0.79 0.79 0.79 0.79 0.79 -0.17 -0.17 -0.17 -0.17 -0.17 0.79 0.79
44 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
45 0.19 0.19 0.19 0.19 0.84 -1.12 0.84 0.19 0.19 0.19 0.19 0.19 0.19 -1.12 0.19 0.19 0.19 0.19 0.84 0.84
46 0.37 0.37 0.37 0.37 1.32 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 1.32 0.37 0.37 0.37 0.37
47 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
48 0.51 0.49 0.49 0.49 0.49 0.51 0.49 0.51 0.49 0.51 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.51
49 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.68 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42
50 1.18 0.71 0.71 1.18 0.71 0.71 1.18 1.18 0.71 1.18 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 1.18 0.71
51 -0.68 -0.68 -0.68 -0.68 -0.42 -0.68 -0.42 -0.68 -0.68 -0.42 -0.68 -0.42 0.41 -0.68 -0.42 -0.42 -0.68 -0.68 -0.68 -0.42
52 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18
53 0.51 0.23 0.23 0.51 0.51 0.51 0.23 0.34 0.23 0.23 0.51 0.51 0.23 0.51 0.51 0.51 0.51 0.34 0.23 0.23
54 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
55 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 -0.79 0.10 0.10
56 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
57 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 1.32 0.37 0.37 0.37 0.37 1.32 1.32 0.37 0.37
58 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10
59 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75
60 0.59 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.59 -0.52 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.59 0.59 0.59
61 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75
62 0.17 0.17 0.34 0.34 0.59 0.59 0.59 0.34 0.17 0.17 0.17 0.17 0.59 0.34 0.17 0.17 0.17 0.17 0.17 0.17
63 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 -0.26 0.51 -0.26 -0.26 0.51 -0.26 0.51 0.51 0.51 0.51 0.51
64 -0.50 -0.50 -0.50 0.66 0.66 0.66 0.66 0.66 -0.50 -0.50 -0.50 0.66 0.66 0.66 -0.50 0.66 -0.50 -0.50 -0.50 0.66
65 0.66 0.07 0.07 0.07 0.07 0.66 0.66 0.66 0.66 0.07 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66
66 -0.29 -0.29 0.30 0.30 -0.29 0.41 -0.29 -0.62 0.30 0.41 -0.29 0.74 0.41 0.30 0.41 -0.29 0.30 -0.29 -0.29 0.41
67 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
68 -0.94 -0.94 -0.50 -0.50 -0.94 -1.37 -0.94 -1.37 -0.50 -0.50 -0.94 -0.94 0.56 -0.50 -0.50 -0.50 -0.50 -0.94 -0.94 -1.37
69 0.76 0.76 0.76 0.76 0.76 0.76 0.76 -0.02 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
70 -0.55 -0.88 -0.88 0.50 -0.55 0.50 0.50 0.50 0.50 0.50 -0.88 -0.88 -0.88 -0.55 0.50 -0.55 -0.88 0.50 0.50 0.50
71 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
72 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
73 -0.30 -0.30 -0.30 0.16 -0.30 -0.46 0.16 0.71 0.71 0.16 -0.30 -0.30 -0.30 1.30 0.16 -0.30 0.71 0.71 0.16 -0.30
74 -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 -0.02 -0.02 -0.02 0.76 -0.02 -0.02 -0.02
75 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
76 0.71 0.71 1.30 1.30 0.71 0.71 0.71 0.71 0.71 0.71 1.30 0.71 0.71 0.71 1.30 1.30 0.71 0.71 0.71 1.30
77 0.62 0.62 0.62 0.62 0.62 0.62 -0.43 0.62 -0.43 -0.43 -0.43 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
78 0.66 0.56 0.66 0.66 0.66 0.07 0.66 0.66 0.66 0.56 0.66 -0.50 0.66 0.07 0.66 0.66 0.07 0.66 0.66 0.56
79 0.71 -0.30 0.71 0.16 0.71 -0.30 0.71 0.71 0.71 0.71 0.16 0.16 0.71 0.71 0.71 0.71 -0.30 0.71 0.71 0.71
80 1.04 1.04 1.04 1.04 1.40 1.04 1.04 0.71 1.04 1.04 1.04 0.71 1.04 1.40 1.04 1.04 1.04 1.04 1.04 1.04
81 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
#Reported_Model_Average 0.366 0.284 0.313 0.415 0.384 0.353 0.379 0.364 0.355 0.375 0.326 0.349 0.357 0.389 0.371 0.387 0.337 0.366 0.364 0.382
#Overall_Average_Reported 0.361
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
19.000 0 1 0 0 1 0 0 0 1 1 0 0 0 1 0 0 1 0 0 1
20.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
21.000 0 0 0 1 0 0 0 0 1 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 1 0 0 1 0 0 0 0 1 0 0 0 0
24.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
25.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
26.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
27.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
28.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
29.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
30.000 0 0 0 0 0 0 0 1 1 1 1 0 0 1 1 0 0 0 0 0
31.000 0 0 0 0 1 0 1 0 1 1 0 1 0 1 1 1 0 0 1 1
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 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 0
35.000 1 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 1 2
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 1 0 0 0 0 0 2 0 0 0
38.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
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 1 0 0 0 0 0 0 0 0 0 0 0 0 0
46.000 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0
47.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
48.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0
49.000 1 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 1 1
50.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
51.000 0 0 0 0 1 0 1 0 1 1 0 2 0 1 1 1 0 0 1 1
52.000 0 0 0 0 0 0 0 0 1 1 0 0 0 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0
56.000 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0
57.000 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0
58.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
59.000 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 1 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 1 0 0 0 0 1 0 1 0 0 0 0 0 0 1
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 1 0 0 0 0 1 0 1 0 0 1 0 0 0 1
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 0 0 0 0 0 0 0 0 0 0 0 0 0 0
73.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
74.000 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
77.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 1 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 1 0 1 1 0 1 0 1 1 1 0 1
#Reported_Model_Average 0.034 0.017 0.052 0.017 0.052 0.103 0.052 0.034 0.121 0.086 0.121 0.121 0.034 0.138 0.103 0.121 0.069 0.052 0.069 0.172
#Overall_Average_Reported 0.078
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1418:A 16 GLY 1HA :A 12 LEU 2HB : -0.454: 0
: 1418:A 35 ILE 1HD1 :A 49 GLU 1HB : -0.412: 0
#sum2 ::1.41 clashscore : 1.41 clashscore B<40
#summary::1418 atoms:1418 atoms B<40:160274 potential dots:10020.0 A^2:2 bumps:2 bumps B<40:517.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1418:A 84 PRO 1HD :A 83 THR HB : -0.429: 0
: 1418:A 85 LEU 2HD1 :A 85 LEU C : -0.417: 0
: 1418:A 12 LEU HA :A 19 PRO 2HD : -0.405: 0
#sum2 ::2.12 clashscore : 2.12 clashscore B<40
#summary::1418 atoms:1418 atoms B<40:160263 potential dots:10020.0 A^2:3 bumps:3 bumps B<40:505 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1418:A 18 ASN HA :A 12 LEU HA : -0.479: 0
: 1418:A 16 GLY 1HA :A 12 LEU 2HB : -0.405: 0
: 1418:A 38 THR 2HG2 :A 40 GLY H : -0.401: 0
: 1418:A 48 MET SD :A 34 LEU HA : -0.401: 0
#sum2 ::2.82 clashscore : 2.82 clashscore B<40
#summary::1418 atoms:1418 atoms B<40:160186 potential dots:10010.0 A^2:4 bumps:4 bumps B<40:511.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1418:A 85 LEU 2HD1 :A 85 LEU C : -0.448: 0
: 1418:A 18 ASN 2HB :A 21 MET 1HB : -0.418: 0
#sum2 ::1.41 clashscore : 1.41 clashscore B<40
#summary::1418 atoms:1418 atoms B<40:160202 potential dots:10010.0 A^2:2 bumps:2 bumps B<40:458 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1418:A 51 GLU 2HB :A 31 LYS 2HB : -0.444: 0
: 1418:A 13 THR 3HG2 :A 19 PRO 2HG : -0.437: 0
#sum2 ::1.41 clashscore : 1.41 clashscore B<40
#summary::1418 atoms:1418 atoms B<40:160263 potential dots:10020.0 A^2:2 bumps:2 bumps B<40:531.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1418:A 66 VAL 2HG1 :A 61 GLY 2HA : -0.419: 0
: 1418:A 35 ILE 1HD1 :A 49 GLU 1HB : -0.411: 0
: 1418:A 63 ASN HA :A 46 PHE CD1 : -0.402: 0
#sum2 ::2.12 clashscore : 2.12 clashscore B<40
#summary::1418 atoms:1418 atoms B<40:160319 potential dots:10020.0 A^2:3 bumps:3 bumps B<40:478.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1418:A 6 HIS ND1 :A 45 ARG NH2 : -0.482: 0
: 1418:A 31 LYS 1HB :A 51 GLU 2HB : -0.443: 0
#sum2 ::1.41 clashscore : 1.41 clashscore B<40
#summary::1418 atoms:1418 atoms B<40:160282 potential dots:10020.0 A^2:2 bumps:2 bumps B<40:488 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1418:A 43 ASP 1HB :A 42 HIS O : -0.519: 0
: 1418:A 30 LEU CD1 :A 23 LEU HG : -0.420: 0
: 1418:A 41 SER 2HB :A 40 GLY O : -0.409: 0
#sum2 ::2.12 clashscore : 2.12 clashscore B<40
#summary::1418 atoms:1418 atoms B<40:160102 potential dots:10010.0 A^2:3 bumps:3 bumps B<40:508.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1418:A 81 PRO O :A 82 ASP 1HB : -0.547: 0
: 1418:A 51 GLU 2HB :A 31 LYS 2HB : -0.462: 0
: 1418:A 12 LEU HA :A 19 PRO 2HD : -0.445: 0
: 1418:A 18 ASN 2HB :A 21 MET 1HB : -0.403: 0
: 1418:A 52 VAL HA :A 30 LEU 2HD2 : -0.401: 0
#sum2 ::3.53 clashscore : 3.53 clashscore B<40
#summary::1418 atoms:1418 atoms B<40:160264 potential dots:10020.0 A^2:5 bumps:5 bumps B<40:481.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1418:A 84 PRO 1HD :A 83 THR HB : -0.485: 0
: 1418:A 52 VAL HA :A 30 LEU 2HD2 : -0.447: 0
: 1418:A 12 LEU HA :A 19 PRO 2HD : -0.431: 0
: 1418:A 12 LEU 2HD2 :A 18 ASN HA : -0.411: 0
: 1418:A 31 LYS 1HB :A 51 GLU 2HB : -0.427: 0
#sum2 ::3.53 clashscore : 3.53 clashscore B<40
#summary::1418 atoms:1418 atoms B<40:160372 potential dots:10020.0 A^2:5 bumps:5 bumps B<40:529.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1418:A 34 LEU 1HD2 :A 37 GLU 1HB : -0.481: 0
: 1418:A 81 PRO O :A 82 ASP 1HB : -0.438: 0
: 1418:A 30 LEU CD1 :A 23 LEU HG : -0.426: 0
: 1418:A 17 LYS 1HE :A 17 LYS 2HB : -0.418: 0
: 1418:A 66 VAL 3HG2 :A 63 ASN 2HB : -0.407: 0
#sum2 ::3.53 clashscore : 3.53 clashscore B<40
#summary::1418 atoms:1418 atoms B<40:160244 potential dots:10020.0 A^2:5 bumps:5 bumps B<40:473.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1418:A 81 PRO O :A 82 ASP 1HB : -0.510: 0
: 1418:A 11 MET O :A 11 MET SD : -0.455: 0
: 1418:A 11 MET SD :A 11 MET C : -0.445: 0
: 1418:A 35 ILE 1HD1 :A 49 GLU 1HB : -0.445: 0
: 1418:A 31 LYS 1HB :A 51 GLU 2HB : -0.429: 0
: 1418:A 51 GLU HA :A 56 LYS HA : -0.408: 0
#sum2 ::4.23 clashscore : 4.23 clashscore B<40
#summary::1418 atoms:1418 atoms B<40:160384 potential dots:10020.0 A^2:6 bumps:6 bumps B<40:467 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1418:A 66 VAL 3HG2 :A 63 ASN 2HB : -0.429: 0
: 1418:A 10 HIS 1HB :A 8 HIS CE1 : -0.421: 0
: 1418:A 17 LYS 1HB :A 14 LYS 1HB : -0.420: 0
#sum2 ::2.12 clashscore : 2.12 clashscore B<40
#summary::1418 atoms:1418 atoms B<40:160172 potential dots:10010.0 A^2:3 bumps:3 bumps B<40:486.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1418:A 12 LEU HA :A 19 PRO 2HD : -0.490: 0
: 1418:A 52 VAL HA :A 30 LEU 2HD2 : -0.476: 0
: 1418:A 31 LYS 1HB :A 51 GLU 2HB : -0.417: 0
: 1418:A 57 PHE CE1 :A 79 LEU 1HB : -0.410: 0
: 1418:A 81 PRO O :A 82 ASP 1HB : -0.409: 0
: 1418:A 6 HIS HA :A 10 HIS 1HB : -0.405: 0
#sum2 ::4.23 clashscore : 4.23 clashscore B<40
#summary::1418 atoms:1418 atoms B<40:160213 potential dots:10010.0 A^2:6 bumps:6 bumps B<40:485.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1418:A 48 MET SD :A 34 LEU HA : -0.464: 0
: 1418:A 31 LYS 1HB :A 51 GLU 2HB : -0.429: 0
: 1418:A 52 VAL HA :A 30 LEU 2HD2 : -0.424: 0
#sum2 ::2.12 clashscore : 2.12 clashscore B<40
#summary::1418 atoms:1418 atoms B<40:160204 potential dots:10010.0 A^2:3 bumps:3 bumps B<40:495.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1418:A 81 PRO O :A 82 ASP 1HB : -0.479: 0
: 1418:A 52 VAL 1HG2 :A 23 LEU 1HD2 : -0.448: 0
: 1418:A 51 GLU 2HB :A 31 LYS 2HB : -0.436: 0
: 1418:A 66 VAL 2HG1 :A 61 GLY 2HA : -0.410: 0
#sum2 ::2.82 clashscore : 2.82 clashscore B<40
#summary::1418 atoms:1418 atoms B<40:160352 potential dots:10020.0 A^2:4 bumps:4 bumps B<40:474.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1418:A 37 GLU 2HG :A 37 GLU O : -0.611: 0
: 1418:A 81 PRO O :A 82 ASP 1HB : -0.431: 0
: 1418:A 12 LEU HA :A 19 PRO 2HD : -0.400: 0
#sum2 ::2.12 clashscore : 2.12 clashscore B<40
#summary::1418 atoms:1418 atoms B<40:160377 potential dots:10020.0 A^2:3 bumps:3 bumps B<40:500.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1418:A 81 PRO O :A 82 ASP 1HB : -0.556: 0
: 1418:A 84 PRO 1HD :A 83 THR HB : -0.429: 0
: 1418:A 48 MET SD :A 34 LEU HA : -0.424: 0
#sum2 ::2.12 clashscore : 2.12 clashscore B<40
#summary::1418 atoms:1418 atoms B<40:160281 potential dots:10020.0 A^2:3 bumps:3 bumps B<40:507.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1418:A 18 ASN 1HB :A 17 LYS O : -0.538: 0
: 1418:A 51 GLU 2HB :A 31 LYS 2HB : -0.446: 0
: 1418:A 35 ILE 1HD1 :A 49 GLU 1HB : -0.434: 0
: 1418:A 14 LYS N :A 13 THR 3HG2 : -0.433: 0
: 1418:A 85 LEU 2HD1 :A 85 LEU C : -0.419: 0
: 1418:A 42 HIS N :A 40 GLY O : -0.414: 0
#sum2 ::4.23 clashscore : 4.23 clashscore B<40
#summary::1418 atoms:1418 atoms B<40:160107 potential dots:10010.0 A^2:6 bumps:6 bumps B<40:444.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1418:A 13 THR C :A 12 LEU O : -0.474: 0
: 1418:A 12 LEU HA :A 19 PRO 2HD : -0.421: 0
: 1418:A 51 GLU 2HB :A 31 LYS 2HB : -0.470: 0
: 1418:A 81 PRO O :A 82 ASP 1HB : -0.447: 0
: 1418:A 35 ILE 1HD1 :A 49 GLU 1HB : -0.435: 0
: 1418:A 35 ILE 2HD1 :A 47 VAL 2HG1 : -0.404: 0
: 1418:A 66 VAL 3HG2 :A 63 ASN 2HB : -0.425: 0
#sum2 ::4.94 clashscore : 4.94 clashscore B<40
#summary::1418 atoms:1418 atoms B<40:160114 potential dots:10010.0 A^2:7 bumps:7 bumps B<40:516.1 score
Output from PDB validation software
Summary from PDB validation
May. 10, 08:44:08 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 0.011 Angstroms
All covalent bonds lie within a 6.0*RMSD range about the
standard dictionary values.
*** Covalent Angle Values:
The RMS deviation for covalent angles relative to the standard
dictionary is 0.6 degrees.
The following table contains a list of the covalent bond angles
greater than 6.0*RMSD.
Deviation Residue Chain Sequence Model AT1 - AT2 - AT3 Bond Dictionary
Name ID Number Angle Value
--------------------------------------------------------------------------------
-3.6 PRO A 81 5 CA - N - CD 108.4 112.0
4.2 HIS A 7 7 N - CA - C 115.4 111.2
3.6 GLY A 16 7 N - CA - C 116.1 112.5
3.7 SER A 9 14 N - CA - C 114.9 111.2
TORSION ANGLES
The torsion angle distributions have been checked. The postscript file of the
conformation rings showing the torsion angle distributions will be sent in a
separate E-mail message.
CHIRALITY
The chirality has been checked. O1P, O2P, and hydrogen atoms which do not
follow the convention defined in the IUBMB (Liebecq, C. Compendium of
Biochemical Nomenclature and Related Documents, 2nd ed.; Portland Press:
London and Chapel Hill, 1992) and IUPAC nomenclature (J.L. Markley, A. Bax,
Y. Arata, C.W. Hilbers, R. Kaptein, B.D. Sykes, P.E. Wright and K. Wüthrich,
Recommendations for the Presentation of NMR Structures of Proteins and
Nucleic Acids, Pure & Appl. Chem., Vol. 70, pp. 117-142, 1998) have been
standardized. Any other stereochemical violations are listed below.
E/Z NOMENCLATURE
E/Z nomenclature of hydrogens and/or nitrogens on Arg, Asn or Gln residues needs
to be corrected to conform with the standard for E/Z orientation presented in
[J.L. Markley, et al., Recommendations for the Presentation of NMR Structures of
Proteins and Nucleic Acids, Pure & Appl. Chem., 1998, 70, 117-142].
Model Chain Residue Residue Atom Name Original
Name Number Atom Name
----- ----- ------- ------- -------- ---------
1 A ASN 18 1HD2
1 A ASN 18 2HD2
1 A ASN 24 1HD2
1 A ASN 24 2HD2
1 A GLN 55 1HE2
1 A GLN 55 2HE2
1 A GLN 58 1HE2
1 A GLN 58 2HE2
1 A ASN 63 1HD2
1 A ASN 63 2HD2
1 A ASN 90 1HD2
1 A ASN 90 2HD2
2 A ASN 18 1HD2
2 A ASN 18 2HD2
2 A ASN 24 1HD2
2 A ASN 24 2HD2
2 A GLN 55 1HE2
2 A GLN 55 2HE2
2 A GLN 58 1HE2
2 A GLN 58 2HE2
2 A ASN 63 1HD2
2 A ASN 63 2HD2
2 A ASN 90 1HD2
2 A ASN 90 2HD2
3 A ASN 18 1HD2
3 A ASN 18 2HD2
3 A ASN 24 1HD2
3 A ASN 24 2HD2
3 A GLN 55 1HE2
3 A GLN 55 2HE2
3 A GLN 58 1HE2
3 A GLN 58 2HE2
3 A ASN 63 1HD2
3 A ASN 63 2HD2
3 A ASN 90 1HD2
3 A ASN 90 2HD2
4 A ASN 18 1HD2
4 A ASN 18 2HD2
4 A ASN 24 1HD2
4 A ASN 24 2HD2
4 A GLN 55 1HE2
4 A GLN 55 2HE2
4 A GLN 58 1HE2
4 A GLN 58 2HE2
4 A ASN 63 1HD2
4 A ASN 63 2HD2
4 A ASN 90 1HD2
4 A ASN 90 2HD2
5 A ASN 18 1HD2
5 A ASN 18 2HD2
5 A ASN 24 1HD2
5 A ASN 24 2HD2
5 A GLN 55 1HE2
5 A GLN 55 2HE2
5 A GLN 58 1HE2
5 A GLN 58 2HE2
5 A ASN 63 1HD2
5 A ASN 63 2HD2
5 A ASN 90 1HD2
5 A ASN 90 2HD2
6 A ASN 18 1HD2
6 A ASN 18 2HD2
6 A ASN 24 1HD2
6 A ASN 24 2HD2
6 A GLN 55 1HE2
6 A GLN 55 2HE2
6 A GLN 58 1HE2
6 A GLN 58 2HE2
6 A ASN 63 1HD2
6 A ASN 63 2HD2
6 A ASN 90 1HD2
6 A ASN 90 2HD2
7 A ASN 18 1HD2
7 A ASN 18 2HD2
7 A ASN 24 1HD2
7 A ASN 24 2HD2
7 A GLN 55 1HE2
7 A GLN 55 2HE2
7 A GLN 58 1HE2
7 A GLN 58 2HE2
7 A ASN 63 1HD2
7 A ASN 63 2HD2
7 A ASN 90 1HD2
7 A ASN 90 2HD2
8 A ASN 18 1HD2
8 A ASN 18 2HD2
8 A ASN 24 1HD2
8 A ASN 24 2HD2
8 A GLN 55 1HE2
8 A GLN 55 2HE2
8 A GLN 58 1HE2
8 A GLN 58 2HE2
8 A ASN 63 1HD2
8 A ASN 63 2HD2
8 A ASN 90 1HD2
8 A ASN 90 2HD2
9 A ASN 18 1HD2
9 A ASN 18 2HD2
9 A ASN 24 1HD2
9 A ASN 24 2HD2
9 A GLN 55 1HE2
9 A GLN 55 2HE2
9 A GLN 58 1HE2
9 A GLN 58 2HE2
9 A ASN 63 1HD2
9 A ASN 63 2HD2
9 A ASN 90 1HD2
9 A ASN 90 2HD2
10 A ASN 18 1HD2
10 A ASN 18 2HD2
10 A ASN 24 1HD2
10 A ASN 24 2HD2
10 A GLN 55 1HE2
10 A GLN 55 2HE2
10 A GLN 58 1HE2
10 A GLN 58 2HE2
10 A ASN 63 1HD2
10 A ASN 63 2HD2
10 A ASN 90 1HD2
10 A ASN 90 2HD2
11 A ASN 18 1HD2
11 A ASN 18 2HD2
11 A ASN 24 1HD2
11 A ASN 24 2HD2
11 A GLN 55 1HE2
11 A GLN 55 2HE2
11 A GLN 58 1HE2
11 A GLN 58 2HE2
11 A ASN 63 1HD2
11 A ASN 63 2HD2
11 A ASN 90 1HD2
11 A ASN 90 2HD2
12 A ASN 18 1HD2
12 A ASN 18 2HD2
12 A ASN 24 1HD2
12 A ASN 24 2HD2
12 A GLN 55 1HE2
12 A GLN 55 2HE2
12 A GLN 58 1HE2
12 A GLN 58 2HE2
12 A ASN 63 1HD2
12 A ASN 63 2HD2
12 A ASN 90 1HD2
12 A ASN 90 2HD2
13 A ASN 18 1HD2
13 A ASN 18 2HD2
13 A ASN 24 1HD2
13 A ASN 24 2HD2
13 A GLN 55 1HE2
13 A GLN 55 2HE2
13 A GLN 58 1HE2
13 A GLN 58 2HE2
13 A ASN 63 1HD2
13 A ASN 63 2HD2
13 A ASN 90 1HD2
13 A ASN 90 2HD2
14 A ASN 18 1HD2
14 A ASN 18 2HD2
14 A ASN 24 1HD2
14 A ASN 24 2HD2
14 A GLN 55 1HE2
14 A GLN 55 2HE2
14 A GLN 58 1HE2
14 A GLN 58 2HE2
14 A ASN 63 1HD2
14 A ASN 63 2HD2
14 A ASN 90 1HD2
14 A ASN 90 2HD2
15 A ASN 18 1HD2
15 A ASN 18 2HD2
15 A ASN 24 1HD2
15 A ASN 24 2HD2
15 A GLN 55 1HE2
15 A GLN 55 2HE2
15 A GLN 58 1HE2
15 A GLN 58 2HE2
15 A ASN 63 1HD2
15 A ASN 63 2HD2
15 A ASN 90 1HD2
15 A ASN 90 2HD2
16 A ASN 18 1HD2
16 A ASN 18 2HD2
16 A ASN 24 1HD2
16 A ASN 24 2HD2
16 A GLN 55 1HE2
16 A GLN 55 2HE2
16 A GLN 58 1HE2
16 A GLN 58 2HE2
16 A ASN 63 1HD2
16 A ASN 63 2HD2
16 A ASN 90 1HD2
16 A ASN 90 2HD2
17 A ASN 18 1HD2
17 A ASN 18 2HD2
17 A ASN 24 1HD2
17 A ASN 24 2HD2
17 A GLN 55 1HE2
17 A GLN 55 2HE2
17 A GLN 58 1HE2
17 A GLN 58 2HE2
17 A ASN 63 1HD2
17 A ASN 63 2HD2
17 A ASN 90 1HD2
17 A ASN 90 2HD2
18 A ASN 18 1HD2
18 A ASN 18 2HD2
18 A ASN 24 1HD2
18 A ASN 24 2HD2
18 A GLN 55 1HE2
18 A GLN 55 2HE2
18 A GLN 58 1HE2
18 A GLN 58 2HE2
18 A ASN 63 1HD2
18 A ASN 63 2HD2
18 A ASN 90 1HD2
18 A ASN 90 2HD2
19 A ASN 18 1HD2
19 A ASN 18 2HD2
19 A ASN 24 1HD2
19 A ASN 24 2HD2
19 A GLN 55 1HE2
19 A GLN 55 2HE2
19 A GLN 58 1HE2
19 A GLN 58 2HE2
19 A ASN 63 1HD2
19 A ASN 63 2HD2
19 A ASN 90 1HD2
19 A ASN 90 2HD2
20 A ASN 18 1HD2
20 A ASN 18 2HD2
20 A ASN 24 1HD2
20 A ASN 24 2HD2
20 A GLN 55 1HE2
20 A GLN 55 2HE2
20 A GLN 58 1HE2
20 A GLN 58 2HE2
20 A ASN 63 1HD2
20 A ASN 63 2HD2
20 A ASN 90 1HD2
20 A ASN 90 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 -90 )
GLY( 1 A -89 )
HIS( 1 A -88 )
HIS( 1 A -87 )
HIS( 1 A -86 )
HIS( 1 A -85 )
HIS( 1 A -84 )
HIS( 1 A -83 )
SER( 1 A -82 )
HIS( 1 A -81 )
MET( 1 A -80 )
LEU( 1 A -79 )
THR( 1 A -78 )
LYS( 1 A -77 )
HIS( 1 A -76 )
GLY( 1 A -75 )
LYS( 1 A -74 )
ASN( 1 A -73 )
PRO( 1 A -72 )
VAL( 1 A -71 )
MET( 1 A -70 )
GLU( 1 A -69 )
LEU( 1 A -68 )
ASN( 1 A -67 )
GLU( 1 A -66 )
LYS( 1 A -65 )
ARG( 1 A -64 )
ARG( 1 A -63 )
GLY( 1 A -62 )
LEU( 1 A -61 )
LYS( 1 A -60 )
TYR( 1 A -59 )
GLU( 1 A -58 )
LEU( 1 A -57 )
ILE( 1 A -56 )
SER( 1 A -55 )
GLU( 1 A -54 )
THR( 1 A -53 )
GLY( 1 A -52 )
GLY( 1 A -51 )
SER( 1 A -50 )
HIS( 1 A -49 )
ASP( 1 A -48 )
LYS( 1 A -47 )
ARG( 1 A -46 )
PHE( 1 A -45 )
VAL( 1 A -44 )
MET( 1 A -43 )
GLU( 1 A -42 )
VAL( 1 A -41 )
GLU( 1 A -40 )
VAL( 1 A -39 )
ASP( 1 A -38 )
GLY( 1 A -37 )
GLN( 1 A -36 )
LYS( 1 A -35 )
PHE( 1 A -34 )
GLN( 1 A -33 )
GLY( 1 A -32 )
ALA( 1 A -31 )
GLY( 1 A -30 )
SER( 1 A -29 )
ASN( 1 A -28 )
LYS( 1 A -27 )
LYS( 1 A -26 )
VAL( 1 A -25 )
ALA( 1 A -24 )
LYS( 1 A -23 )
ALA( 1 A -22 )
TYR( 1 A -21 )
ALA( 1 A -20 )
ALA( 1 A -19 )
LEU( 1 A -18 )
ALA( 1 A -17 )
ALA( 1 A -16 )
LEU( 1 A -15 )
GLU( 1 A -14 )
LYS( 1 A -13 )
LEU( 1 A -12 )
PHE( 1 A -11 )
PRO( 1 A -10 )
ASP( 1 A -9 )
THR( 1 A -8 )
PRO( 1 A -7 )
LEU( 1 A -6 )
ALA( 1 A -5 )
LEU( 1 A -4 )
ASP( 1 A -3 )
ALA( 1 A -2 )
ASN( 1 A -1 )
LYS( 1 A 0 )
MET( 2 A -90 )
GLY( 2 A -89 )
HIS( 2 A -88 )
HIS( 2 A -87 )
HIS( 2 A -86 )
HIS( 2 A -85 )
HIS( 2 A -84 )
HIS( 2 A -83 )
SER( 2 A -82 )
HIS( 2 A -81 )
MET( 2 A -80 )
LEU( 2 A -79 )
THR( 2 A -78 )
LYS( 2 A -77 )
HIS( 2 A -76 )
GLY( 2 A -75 )
LYS( 2 A -74 )
ASN( 2 A -73 )
PRO( 2 A -72 )
VAL( 2 A -71 )
MET( 2 A -70 )
GLU( 2 A -69 )
LEU( 2 A -68 )
ASN( 2 A -67 )
GLU( 2 A -66 )
LYS( 2 A -65 )
ARG( 2 A -64 )
ARG( 2 A -63 )
GLY( 2 A -62 )
LEU( 2 A -61 )
LYS( 2 A -60 )
TYR( 2 A -59 )
GLU( 2 A -58 )
LEU( 2 A -57 )
ILE( 2 A -56 )
SER( 2 A -55 )
GLU( 2 A -54 )
THR( 2 A -53 )
GLY( 2 A -52 )
GLY( 2 A -51 )
SER( 2 A -50 )
HIS( 2 A -49 )
ASP( 2 A -48 )
LYS( 2 A -47 )
ARG( 2 A -46 )
PHE( 2 A -45 )
VAL( 2 A -44 )
MET( 2 A -43 )
GLU( 2 A -42 )
VAL( 2 A -41 )
GLU( 2 A -40 )
VAL( 2 A -39 )
ASP( 2 A -38 )
GLY( 2 A -37 )
GLN( 2 A -36 )
LYS( 2 A -35 )
PHE( 2 A -34 )
GLN( 2 A -33 )
GLY( 2 A -32 )
ALA( 2 A -31 )
GLY( 2 A -30 )
SER( 2 A -29 )
ASN( 2 A -28 )
LYS( 2 A -27 )
LYS( 2 A -26 )
VAL( 2 A -25 )
ALA( 2 A -24 )
LYS( 2 A -23 )
ALA( 2 A -22 )
TYR( 2 A -21 )
ALA( 2 A -20 )
ALA( 2 A -19 )
LEU( 2 A -18 )
ALA( 2 A -17 )
ALA( 2 A -16 )
LEU( 2 A -15 )
GLU( 2 A -14 )
LYS( 2 A -13 )
LEU( 2 A -12 )
PHE( 2 A -11 )
PRO( 2 A -10 )
ASP( 2 A -9 )
THR( 2 A -8 )
PRO( 2 A -7 )
LEU( 2 A -6 )
ALA( 2 A -5 )
LEU( 2 A -4 )
ASP( 2 A -3 )
ALA( 2 A -2 )
ASN( 2 A -1 )
LYS( 2 A 0 )
MET( 3 A -90 )
GLY( 3 A -89 )
HIS( 3 A -88 )
HIS( 3 A -87 )
HIS( 3 A -86 )
HIS( 3 A -85 )
HIS( 3 A -84 )
HIS( 3 A -83 )
SER( 3 A -82 )
HIS( 3 A -81 )
MET( 3 A -80 )
LEU( 3 A -79 )
THR( 3 A -78 )
LYS( 3 A -77 )
HIS( 3 A -76 )
GLY( 3 A -75 )
LYS( 3 A -74 )
ASN( 3 A -73 )
PRO( 3 A -72 )
VAL( 3 A -71 )
MET( 3 A -70 )
GLU( 3 A -69 )
LEU( 3 A -68 )
ASN( 3 A -67 )
GLU( 3 A -66 )
LYS( 3 A -65 )
ARG( 3 A -64 )
ARG( 3 A -63 )
GLY( 3 A -62 )
LEU( 3 A -61 )
LYS( 3 A -60 )
TYR( 3 A -59 )
GLU( 3 A -58 )
LEU( 3 A -57 )
ILE( 3 A -56 )
SER( 3 A -55 )
GLU( 3 A -54 )
THR( 3 A -53 )
GLY( 3 A -52 )
GLY( 3 A -51 )
SER( 3 A -50 )
HIS( 3 A -49 )
ASP( 3 A -48 )
LYS( 3 A -47 )
ARG( 3 A -46 )
PHE( 3 A -45 )
VAL( 3 A -44 )
MET( 3 A -43 )
GLU( 3 A -42 )
VAL( 3 A -41 )
GLU( 3 A -40 )
VAL( 3 A -39 )
ASP( 3 A -38 )
GLY( 3 A -37 )
GLN( 3 A -36 )
LYS( 3 A -35 )
PHE( 3 A -34 )
GLN( 3 A -33 )
GLY( 3 A -32 )
ALA( 3 A -31 )
GLY( 3 A -30 )
SER( 3 A -29 )
ASN( 3 A -28 )
LYS( 3 A -27 )
LYS( 3 A -26 )
VAL( 3 A -25 )
ALA( 3 A -24 )
LYS( 3 A -23 )
ALA( 3 A -22 )
TYR( 3 A -21 )
ALA( 3 A -20 )
ALA( 3 A -19 )
LEU( 3 A -18 )
ALA( 3 A -17 )
ALA( 3 A -16 )
LEU( 3 A -15 )
GLU( 3 A -14 )
LYS( 3 A -13 )
LEU( 3 A -12 )
PHE( 3 A -11 )
PRO( 3 A -10 )
ASP( 3 A -9 )
THR( 3 A -8 )
PRO( 3 A -7 )
LEU( 3 A -6 )
ALA( 3 A -5 )
LEU( 3 A -4 )
ASP( 3 A -3 )
ALA( 3 A -2 )
ASN( 3 A -1 )
LYS( 3 A 0 )
MET( 4 A -90 )
GLY( 4 A -89 )
HIS( 4 A -88 )
HIS( 4 A -87 )
HIS( 4 A -86 )
HIS( 4 A -85 )
HIS( 4 A -84 )
HIS( 4 A -83 )
SER( 4 A -82 )
HIS( 4 A -81 )
MET( 4 A -80 )
LEU( 4 A -79 )
THR( 4 A -78 )
LYS( 4 A -77 )
HIS( 4 A -76 )
GLY( 4 A -75 )
LYS( 4 A -74 )
ASN( 4 A -73 )
PRO( 4 A -72 )
VAL( 4 A -71 )
MET( 4 A -70 )
GLU( 4 A -69 )
LEU( 4 A -68 )
ASN( 4 A -67 )
GLU( 4 A -66 )
LYS( 4 A -65 )
ARG( 4 A -64 )
ARG( 4 A -63 )
GLY( 4 A -62 )
LEU( 4 A -61 )
LYS( 4 A -60 )
TYR( 4 A -59 )
GLU( 4 A -58 )
LEU( 4 A -57 )
ILE( 4 A -56 )
SER( 4 A -55 )
GLU( 4 A -54 )
THR( 4 A -53 )
GLY( 4 A -52 )
GLY( 4 A -51 )
SER( 4 A -50 )
HIS( 4 A -49 )
ASP( 4 A -48 )
LYS( 4 A -47 )
ARG( 4 A -46 )
PHE( 4 A -45 )
VAL( 4 A -44 )
MET( 4 A -43 )
GLU( 4 A -42 )
VAL( 4 A -41 )
GLU( 4 A -40 )
VAL( 4 A -39 )
ASP( 4 A -38 )
GLY( 4 A -37 )
GLN( 4 A -36 )
LYS( 4 A -35 )
PHE( 4 A -34 )
GLN( 4 A -33 )
GLY( 4 A -32 )
ALA( 4 A -31 )
GLY( 4 A -30 )
SER( 4 A -29 )
ASN( 4 A -28 )
LYS( 4 A -27 )
LYS( 4 A -26 )
VAL( 4 A -25 )
ALA( 4 A -24 )
LYS( 4 A -23 )
ALA( 4 A -22 )
TYR( 4 A -21 )
ALA( 4 A -20 )
ALA( 4 A -19 )
LEU( 4 A -18 )
ALA( 4 A -17 )
ALA( 4 A -16 )
LEU( 4 A -15 )
GLU( 4 A -14 )
LYS( 4 A -13 )
LEU( 4 A -12 )
PHE( 4 A -11 )
PRO( 4 A -10 )
ASP( 4 A -9 )
THR( 4 A -8 )
PRO( 4 A -7 )
LEU( 4 A -6 )
ALA( 4 A -5 )
LEU( 4 A -4 )
ASP( 4 A -3 )
ALA( 4 A -2 )
ASN( 4 A -1 )
LYS( 4 A 0 )
MET( 5 A -90 )
GLY( 5 A -89 )
HIS( 5 A -88 )
HIS( 5 A -87 )
HIS( 5 A -86 )
HIS( 5 A -85 )
HIS( 5 A -84 )
HIS( 5 A -83 )
SER( 5 A -82 )
HIS( 5 A -81 )
MET( 5 A -80 )
LEU( 5 A -79 )
THR( 5 A -78 )
LYS( 5 A -77 )
HIS( 5 A -76 )
GLY( 5 A -75 )
LYS( 5 A -74 )
ASN( 5 A -73 )
PRO( 5 A -72 )
VAL( 5 A -71 )
MET( 5 A -70 )
GLU( 5 A -69 )
LEU( 5 A -68 )
ASN( 5 A -67 )
GLU( 5 A -66 )
LYS( 5 A -65 )
ARG( 5 A -64 )
ARG( 5 A -63 )
GLY( 5 A -62 )
LEU( 5 A -61 )
LYS( 5 A -60 )
TYR( 5 A -59 )
GLU( 5 A -58 )
LEU( 5 A -57 )
ILE( 5 A -56 )
SER( 5 A -55 )
GLU( 5 A -54 )
THR( 5 A -53 )
GLY( 5 A -52 )
GLY( 5 A -51 )
SER( 5 A -50 )
HIS( 5 A -49 )
ASP( 5 A -48 )
LYS( 5 A -47 )
ARG( 5 A -46 )
PHE( 5 A -45 )
VAL( 5 A -44 )
MET( 5 A -43 )
GLU( 5 A -42 )
VAL( 5 A -41 )
GLU( 5 A -40 )
VAL( 5 A -39 )
ASP( 5 A -38 )
GLY( 5 A -37 )
GLN( 5 A -36 )
LYS( 5 A -35 )
PHE( 5 A -34 )
GLN( 5 A -33 )
GLY( 5 A -32 )
ALA( 5 A -31 )
GLY( 5 A -30 )
SER( 5 A -29 )
ASN( 5 A -28 )
LYS( 5 A -27 )
LYS( 5 A -26 )
VAL( 5 A -25 )
ALA( 5 A -24 )
LYS( 5 A -23 )
ALA( 5 A -22 )
TYR( 5 A -21 )
ALA( 5 A -20 )
ALA( 5 A -19 )
LEU( 5 A -18 )
ALA( 5 A -17 )
ALA( 5 A -16 )
LEU( 5 A -15 )
GLU( 5 A -14 )
LYS( 5 A -13 )
LEU( 5 A -12 )
PHE( 5 A -11 )
PRO( 5 A -10 )
ASP( 5 A -9 )
THR( 5 A -8 )
PRO( 5 A -7 )
LEU( 5 A -6 )
ALA( 5 A -5 )
LEU( 5 A -4 )
ASP( 5 A -3 )
ALA( 5 A -2 )
ASN( 5 A -1 )
LYS( 5 A 0 )
MET( 6 A -90 )
GLY( 6 A -89 )
HIS( 6 A -88 )
HIS( 6 A -87 )
HIS( 6 A -86 )
HIS( 6 A -85 )
HIS( 6 A -84 )
HIS( 6 A -83 )
SER( 6 A -82 )
HIS( 6 A -81 )
MET( 6 A -80 )
LEU( 6 A -79 )
THR( 6 A -78 )
LYS( 6 A -77 )
HIS( 6 A -76 )
GLY( 6 A -75 )
LYS( 6 A -74 )
ASN( 6 A -73 )
PRO( 6 A -72 )
VAL( 6 A -71 )
MET( 6 A -70 )
GLU( 6 A -69 )
LEU( 6 A -68 )
ASN( 6 A -67 )
GLU( 6 A -66 )
LYS( 6 A -65 )
ARG( 6 A -64 )
ARG( 6 A -63 )
GLY( 6 A -62 )
LEU( 6 A -61 )
LYS( 6 A -60 )
TYR( 6 A -59 )
GLU( 6 A -58 )
LEU( 6 A -57 )
ILE( 6 A -56 )
SER( 6 A -55 )
GLU( 6 A -54 )
THR( 6 A -53 )
GLY( 6 A -52 )
GLY( 6 A -51 )
SER( 6 A -50 )
HIS( 6 A -49 )
ASP( 6 A -48 )
LYS( 6 A -47 )
ARG( 6 A -46 )
PHE( 6 A -45 )
VAL( 6 A -44 )
MET( 6 A -43 )
GLU( 6 A -42 )
VAL( 6 A -41 )
GLU( 6 A -40 )
VAL( 6 A -39 )
ASP( 6 A -38 )
GLY( 6 A -37 )
GLN( 6 A -36 )
LYS( 6 A -35 )
PHE( 6 A -34 )
GLN( 6 A -33 )
GLY( 6 A -32 )
ALA( 6 A -31 )
GLY( 6 A -30 )
SER( 6 A -29 )
ASN( 6 A -28 )
LYS( 6 A -27 )
LYS( 6 A -26 )
VAL( 6 A -25 )
ALA( 6 A -24 )
LYS( 6 A -23 )
ALA( 6 A -22 )
TYR( 6 A -21 )
ALA( 6 A -20 )
ALA( 6 A -19 )
LEU( 6 A -18 )
ALA( 6 A -17 )
ALA( 6 A -16 )
LEU( 6 A -15 )
GLU( 6 A -14 )
LYS( 6 A -13 )
LEU( 6 A -12 )
PHE( 6 A -11 )
PRO( 6 A -10 )
ASP( 6 A -9 )
THR( 6 A -8 )
PRO( 6 A -7 )
LEU( 6 A -6 )
ALA( 6 A -5 )
LEU( 6 A -4 )
ASP( 6 A -3 )
ALA( 6 A -2 )
ASN( 6 A -1 )
LYS( 6 A 0 )
MET( 7 A -90 )
GLY( 7 A -89 )
HIS( 7 A -88 )
HIS( 7 A -87 )
HIS( 7 A -86 )
HIS( 7 A -85 )
HIS( 7 A -84 )
HIS( 7 A -83 )
SER( 7 A -82 )
HIS( 7 A -81 )
MET( 7 A -80 )
LEU( 7 A -79 )
THR( 7 A -78 )
LYS( 7 A -77 )
HIS( 7 A -76 )
GLY( 7 A -75 )
LYS( 7 A -74 )
ASN( 7 A -73 )
PRO( 7 A -72 )
VAL( 7 A -71 )
MET( 7 A -70 )
GLU( 7 A -69 )
LEU( 7 A -68 )
ASN( 7 A -67 )
GLU( 7 A -66 )
LYS( 7 A -65 )
ARG( 7 A -64 )
ARG( 7 A -63 )
GLY( 7 A -62 )
LEU( 7 A -61 )
LYS( 7 A -60 )
TYR( 7 A -59 )
GLU( 7 A -58 )
LEU( 7 A -57 )
ILE( 7 A -56 )
SER( 7 A -55 )
GLU( 7 A -54 )
THR( 7 A -53 )
GLY( 7 A -52 )
GLY( 7 A -51 )
SER( 7 A -50 )
HIS( 7 A -49 )
ASP( 7 A -48 )
LYS( 7 A -47 )
ARG( 7 A -46 )
PHE( 7 A -45 )
VAL( 7 A -44 )
MET( 7 A -43 )
GLU( 7 A -42 )
VAL( 7 A -41 )
GLU( 7 A -40 )
VAL( 7 A -39 )
ASP( 7 A -38 )
GLY( 7 A -37 )
GLN( 7 A -36 )
LYS( 7 A -35 )
PHE( 7 A -34 )
GLN( 7 A -33 )
GLY( 7 A -32 )
ALA( 7 A -31 )
GLY( 7 A -30 )
SER( 7 A -29 )
ASN( 7 A -28 )
LYS( 7 A -27 )
LYS( 7 A -26 )
VAL( 7 A -25 )
ALA( 7 A -24 )
LYS( 7 A -23 )
ALA( 7 A -22 )
TYR( 7 A -21 )
ALA( 7 A -20 )
ALA( 7 A -19 )
LEU( 7 A -18 )
ALA( 7 A -17 )
ALA( 7 A -16 )
LEU( 7 A -15 )
GLU( 7 A -14 )
LYS( 7 A -13 )
LEU( 7 A -12 )
PHE( 7 A -11 )
PRO( 7 A -10 )
ASP( 7 A -9 )
THR( 7 A -8 )
PRO( 7 A -7 )
LEU( 7 A -6 )
ALA( 7 A -5 )
LEU( 7 A -4 )
ASP( 7 A -3 )
ALA( 7 A -2 )
ASN( 7 A -1 )
LYS( 7 A 0 )
MET( 8 A -90 )
GLY( 8 A -89 )
HIS( 8 A -88 )
HIS( 8 A -87 )
HIS( 8 A -86 )
HIS( 8 A -85 )
HIS( 8 A -84 )
HIS( 8 A -83 )
SER( 8 A -82 )
HIS( 8 A -81 )
MET( 8 A -80 )
LEU( 8 A -79 )
THR( 8 A -78 )
LYS( 8 A -77 )
HIS( 8 A -76 )
GLY( 8 A -75 )
LYS( 8 A -74 )
ASN( 8 A -73 )
PRO( 8 A -72 )
VAL( 8 A -71 )
MET( 8 A -70 )
GLU( 8 A -69 )
LEU( 8 A -68 )
ASN( 8 A -67 )
GLU( 8 A -66 )
LYS( 8 A -65 )
ARG( 8 A -64 )
ARG( 8 A -63 )
GLY( 8 A -62 )
LEU( 8 A -61 )
LYS( 8 A -60 )
TYR( 8 A -59 )
GLU( 8 A -58 )
LEU( 8 A -57 )
ILE( 8 A -56 )
SER( 8 A -55 )
GLU( 8 A -54 )
THR( 8 A -53 )
GLY( 8 A -52 )
GLY( 8 A -51 )
SER( 8 A -50 )
HIS( 8 A -49 )
ASP( 8 A -48 )
LYS( 8 A -47 )
ARG( 8 A -46 )
PHE( 8 A -45 )
VAL( 8 A -44 )
MET( 8 A -43 )
GLU( 8 A -42 )
VAL( 8 A -41 )
GLU( 8 A -40 )
VAL( 8 A -39 )
ASP( 8 A -38 )
GLY( 8 A -37 )
GLN( 8 A -36 )
LYS( 8 A -35 )
PHE( 8 A -34 )
GLN( 8 A -33 )
GLY( 8 A -32 )
ALA( 8 A -31 )
GLY( 8 A -30 )
SER( 8 A -29 )
ASN( 8 A -28 )
LYS( 8 A -27 )
LYS( 8 A -26 )
VAL( 8 A -25 )
ALA( 8 A -24 )
LYS( 8 A -23 )
ALA( 8 A -22 )
TYR( 8 A -21 )
ALA( 8 A -20 )
ALA( 8 A -19 )
LEU( 8 A -18 )
ALA( 8 A -17 )
ALA( 8 A -16 )
LEU( 8 A -15 )
GLU( 8 A -14 )
LYS( 8 A -13 )
LEU( 8 A -12 )
PHE( 8 A -11 )
PRO( 8 A -10 )
ASP( 8 A -9 )
THR( 8 A -8 )
PRO( 8 A -7 )
LEU( 8 A -6 )
ALA( 8 A -5 )
LEU( 8 A -4 )
ASP( 8 A -3 )
ALA( 8 A -2 )
ASN( 8 A -1 )
LYS( 8 A 0 )
MET( 9 A -90 )
GLY( 9 A -89 )
HIS( 9 A -88 )
HIS( 9 A -87 )
HIS( 9 A -86 )
HIS( 9 A -85 )
HIS( 9 A -84 )
HIS( 9 A -83 )
SER( 9 A -82 )
HIS( 9 A -81 )
MET( 9 A -80 )
LEU( 9 A -79 )
THR( 9 A -78 )
LYS( 9 A -77 )
HIS( 9 A -76 )
GLY( 9 A -75 )
LYS( 9 A -74 )
ASN( 9 A -73 )
PRO( 9 A -72 )
VAL( 9 A -71 )
MET( 9 A -70 )
GLU( 9 A -69 )
LEU( 9 A -68 )
ASN( 9 A -67 )
GLU( 9 A -66 )
LYS( 9 A -65 )
ARG( 9 A -64 )
ARG( 9 A -63 )
GLY( 9 A -62 )
LEU( 9 A -61 )
LYS( 9 A -60 )
TYR( 9 A -59 )
GLU( 9 A -58 )
LEU( 9 A -57 )
ILE( 9 A -56 )
SER( 9 A -55 )
GLU( 9 A -54 )
THR( 9 A -53 )
GLY( 9 A -52 )
GLY( 9 A -51 )
SER( 9 A -50 )
HIS( 9 A -49 )
ASP( 9 A -48 )
LYS( 9 A -47 )
ARG( 9 A -46 )
PHE( 9 A -45 )
VAL( 9 A -44 )
MET( 9 A -43 )
GLU( 9 A -42 )
VAL( 9 A -41 )
GLU( 9 A -40 )
VAL( 9 A -39 )
ASP( 9 A -38 )
GLY( 9 A -37 )
GLN( 9 A -36 )
LYS( 9 A -35 )
PHE( 9 A -34 )
GLN( 9 A -33 )
GLY( 9 A -32 )
ALA( 9 A -31 )
GLY( 9 A -30 )
SER( 9 A -29 )
ASN( 9 A -28 )
LYS( 9 A -27 )
LYS( 9 A -26 )
VAL( 9 A -25 )
ALA( 9 A -24 )
LYS( 9 A -23 )
ALA( 9 A -22 )
TYR( 9 A -21 )
ALA( 9 A -20 )
ALA( 9 A -19 )
LEU( 9 A -18 )
ALA( 9 A -17 )
ALA( 9 A -16 )
LEU( 9 A -15 )
GLU( 9 A -14 )
LYS( 9 A -13 )
LEU( 9 A -12 )
PHE( 9 A -11 )
PRO( 9 A -10 )
ASP( 9 A -9 )
THR( 9 A -8 )
PRO( 9 A -7 )
LEU( 9 A -6 )
ALA( 9 A -5 )
LEU( 9 A -4 )
ASP( 9 A -3 )
ALA( 9 A -2 )
ASN( 9 A -1 )
LYS( 9 A 0 )
MET( 10 A -90 )
GLY( 10 A -89 )
HIS( 10 A -88 )
HIS( 10 A -87 )
HIS( 10 A -86 )
HIS( 10 A -85 )
HIS( 10 A -84 )
HIS( 10 A -83 )
SER( 10 A -82 )
HIS( 10 A -81 )
MET( 10 A -80 )
LEU( 10 A -79 )
THR( 10 A -78 )
LYS( 10 A -77 )
HIS( 10 A -76 )
GLY( 10 A -75 )
LYS( 10 A -74 )
ASN( 10 A -73 )
PRO( 10 A -72 )
VAL( 10 A -71 )
MET( 10 A -70 )
GLU( 10 A -69 )
LEU( 10 A -68 )
ASN( 10 A -67 )
GLU( 10 A -66 )
LYS( 10 A -65 )
ARG( 10 A -64 )
ARG( 10 A -63 )
GLY( 10 A -62 )
LEU( 10 A -61 )
LYS( 10 A -60 )
TYR( 10 A -59 )
GLU( 10 A -58 )
LEU( 10 A -57 )
ILE( 10 A -56 )
SER( 10 A -55 )
GLU( 10 A -54 )
THR( 10 A -53 )
GLY( 10 A -52 )
GLY( 10 A -51 )
SER( 10 A -50 )
HIS( 10 A -49 )
ASP( 10 A -48 )
LYS( 10 A -47 )
ARG( 10 A -46 )
PHE( 10 A -45 )
VAL( 10 A -44 )
MET( 10 A -43 )
GLU( 10 A -42 )
VAL( 10 A -41 )
GLU( 10 A -40 )
VAL( 10 A -39 )
ASP( 10 A -38 )
GLY( 10 A -37 )
GLN( 10 A -36 )
LYS( 10 A -35 )
PHE( 10 A -34 )
GLN( 10 A -33 )
GLY( 10 A -32 )
ALA( 10 A -31 )
GLY( 10 A -30 )
SER( 10 A -29 )
ASN( 10 A -28 )
LYS( 10 A -27 )
LYS( 10 A -26 )
VAL( 10 A -25 )
ALA( 10 A -24 )
LYS( 10 A -23 )
ALA( 10 A -22 )
TYR( 10 A -21 )
ALA( 10 A -20 )
ALA( 10 A -19 )
LEU( 10 A -18 )
ALA( 10 A -17 )
ALA( 10 A -16 )
LEU( 10 A -15 )
GLU( 10 A -14 )
LYS( 10 A -13 )
LEU( 10 A -12 )
PHE( 10 A -11 )
PRO( 10 A -10 )
ASP( 10 A -9 )
THR( 10 A -8 )
PRO( 10 A -7 )
LEU( 10 A -6 )
ALA( 10 A -5 )
LEU( 10 A -4 )
ASP( 10 A -3 )
ALA( 10 A -2 )
ASN( 10 A -1 )
LYS( 10 A 0 )
MET( 11 A -90 )
GLY( 11 A -89 )
HIS( 11 A -88 )
HIS( 11 A -87 )
HIS( 11 A -86 )
HIS( 11 A -85 )
HIS( 11 A -84 )
HIS( 11 A -83 )
SER( 11 A -82 )
HIS( 11 A -81 )
MET( 11 A -80 )
LEU( 11 A -79 )
THR( 11 A -78 )
LYS( 11 A -77 )
HIS( 11 A -76 )
GLY( 11 A -75 )
LYS( 11 A -74 )
ASN( 11 A -73 )
PRO( 11 A -72 )
VAL( 11 A -71 )
MET( 11 A -70 )
GLU( 11 A -69 )
LEU( 11 A -68 )
ASN( 11 A -67 )
GLU( 11 A -66 )
LYS( 11 A -65 )
ARG( 11 A -64 )
ARG( 11 A -63 )
GLY( 11 A -62 )
LEU( 11 A -61 )
LYS( 11 A -60 )
TYR( 11 A -59 )
GLU( 11 A -58 )
LEU( 11 A -57 )
ILE( 11 A -56 )
SER( 11 A -55 )
GLU( 11 A -54 )
THR( 11 A -53 )
GLY( 11 A -52 )
GLY( 11 A -51 )
SER( 11 A -50 )
HIS( 11 A -49 )
ASP( 11 A -48 )
LYS( 11 A -47 )
ARG( 11 A -46 )
PHE( 11 A -45 )
VAL( 11 A -44 )
MET( 11 A -43 )
GLU( 11 A -42 )
VAL( 11 A -41 )
GLU( 11 A -40 )
VAL( 11 A -39 )
ASP( 11 A -38 )
GLY( 11 A -37 )
GLN( 11 A -36 )
LYS( 11 A -35 )
PHE( 11 A -34 )
GLN( 11 A -33 )
GLY( 11 A -32 )
ALA( 11 A -31 )
GLY( 11 A -30 )
SER( 11 A -29 )
ASN( 11 A -28 )
LYS( 11 A -27 )
LYS( 11 A -26 )
VAL( 11 A -25 )
ALA( 11 A -24 )
LYS( 11 A -23 )
ALA( 11 A -22 )
TYR( 11 A -21 )
ALA( 11 A -20 )
ALA( 11 A -19 )
LEU( 11 A -18 )
ALA( 11 A -17 )
ALA( 11 A -16 )
LEU( 11 A -15 )
GLU( 11 A -14 )
LYS( 11 A -13 )
LEU( 11 A -12 )
PHE( 11 A -11 )
PRO( 11 A -10 )
ASP( 11 A -9 )
THR( 11 A -8 )
PRO( 11 A -7 )
LEU( 11 A -6 )
ALA( 11 A -5 )
LEU( 11 A -4 )
ASP( 11 A -3 )
ALA( 11 A -2 )
ASN( 11 A -1 )
LYS( 11 A 0 )
MET( 12 A -90 )
GLY( 12 A -89 )
HIS( 12 A -88 )
HIS( 12 A -87 )
HIS( 12 A -86 )
HIS( 12 A -85 )
HIS( 12 A -84 )
HIS( 12 A -83 )
SER( 12 A -82 )
HIS( 12 A -81 )
MET( 12 A -80 )
LEU( 12 A -79 )
THR( 12 A -78 )
LYS( 12 A -77 )
HIS( 12 A -76 )
GLY( 12 A -75 )
LYS( 12 A -74 )
ASN( 12 A -73 )
PRO( 12 A -72 )
VAL( 12 A -71 )
MET( 12 A -70 )
GLU( 12 A -69 )
LEU( 12 A -68 )
ASN( 12 A -67 )
GLU( 12 A -66 )
LYS( 12 A -65 )
ARG( 12 A -64 )
ARG( 12 A -63 )
GLY( 12 A -62 )
LEU( 12 A -61 )
LYS( 12 A -60 )
TYR( 12 A -59 )
GLU( 12 A -58 )
LEU( 12 A -57 )
ILE( 12 A -56 )
SER( 12 A -55 )
GLU( 12 A -54 )
THR( 12 A -53 )
GLY( 12 A -52 )
GLY( 12 A -51 )
SER( 12 A -50 )
HIS( 12 A -49 )
ASP( 12 A -48 )
LYS( 12 A -47 )
ARG( 12 A -46 )
PHE( 12 A -45 )
VAL( 12 A -44 )
MET( 12 A -43 )
GLU( 12 A -42 )
VAL( 12 A -41 )
GLU( 12 A -40 )
VAL( 12 A -39 )
ASP( 12 A -38 )
GLY( 12 A -37 )
GLN( 12 A -36 )
LYS( 12 A -35 )
PHE( 12 A -34 )
GLN( 12 A -33 )
GLY( 12 A -32 )
ALA( 12 A -31 )
GLY( 12 A -30 )
SER( 12 A -29 )
ASN( 12 A -28 )
LYS( 12 A -27 )
LYS( 12 A -26 )
VAL( 12 A -25 )
ALA( 12 A -24 )
LYS( 12 A -23 )
ALA( 12 A -22 )
TYR( 12 A -21 )
ALA( 12 A -20 )
ALA( 12 A -19 )
LEU( 12 A -18 )
ALA( 12 A -17 )
ALA( 12 A -16 )
LEU( 12 A -15 )
GLU( 12 A -14 )
LYS( 12 A -13 )
LEU( 12 A -12 )
PHE( 12 A -11 )
PRO( 12 A -10 )
ASP( 12 A -9 )
THR( 12 A -8 )
PRO( 12 A -7 )
LEU( 12 A -6 )
ALA( 12 A -5 )
LEU( 12 A -4 )
ASP( 12 A -3 )
ALA( 12 A -2 )
ASN( 12 A -1 )
LYS( 12 A 0 )
MET( 13 A -90 )
GLY( 13 A -89 )
HIS( 13 A -88 )
HIS( 13 A -87 )
HIS( 13 A -86 )
HIS( 13 A -85 )
HIS( 13 A -84 )
HIS( 13 A -83 )
SER( 13 A -82 )
HIS( 13 A -81 )
MET( 13 A -80 )
LEU( 13 A -79 )
THR( 13 A -78 )
LYS( 13 A -77 )
HIS( 13 A -76 )
GLY( 13 A -75 )
LYS( 13 A -74 )
ASN( 13 A -73 )
PRO( 13 A -72 )
VAL( 13 A -71 )
MET( 13 A -70 )
GLU( 13 A -69 )
LEU( 13 A -68 )
ASN( 13 A -67 )
GLU( 13 A -66 )
LYS( 13 A -65 )
ARG( 13 A -64 )
ARG( 13 A -63 )
GLY( 13 A -62 )
LEU( 13 A -61 )
LYS( 13 A -60 )
TYR( 13 A -59 )
GLU( 13 A -58 )
LEU( 13 A -57 )
ILE( 13 A -56 )
SER( 13 A -55 )
GLU( 13 A -54 )
THR( 13 A -53 )
GLY( 13 A -52 )
GLY( 13 A -51 )
SER( 13 A -50 )
HIS( 13 A -49 )
ASP( 13 A -48 )
LYS( 13 A -47 )
ARG( 13 A -46 )
PHE( 13 A -45 )
VAL( 13 A -44 )
MET( 13 A -43 )
GLU( 13 A -42 )
VAL( 13 A -41 )
GLU( 13 A -40 )
VAL( 13 A -39 )
ASP( 13 A -38 )
GLY( 13 A -37 )
GLN( 13 A -36 )
LYS( 13 A -35 )
PHE( 13 A -34 )
GLN( 13 A -33 )
GLY( 13 A -32 )
ALA( 13 A -31 )
GLY( 13 A -30 )
SER( 13 A -29 )
ASN( 13 A -28 )
LYS( 13 A -27 )
LYS( 13 A -26 )
VAL( 13 A -25 )
ALA( 13 A -24 )
LYS( 13 A -23 )
ALA( 13 A -22 )
TYR( 13 A -21 )
ALA( 13 A -20 )
ALA( 13 A -19 )
LEU( 13 A -18 )
ALA( 13 A -17 )
ALA( 13 A -16 )
LEU( 13 A -15 )
GLU( 13 A -14 )
LYS( 13 A -13 )
LEU( 13 A -12 )
PHE( 13 A -11 )
PRO( 13 A -10 )
ASP( 13 A -9 )
THR( 13 A -8 )
PRO( 13 A -7 )
LEU( 13 A -6 )
ALA( 13 A -5 )
LEU( 13 A -4 )
ASP( 13 A -3 )
ALA( 13 A -2 )
ASN( 13 A -1 )
LYS( 13 A 0 )
MET( 14 A -90 )
GLY( 14 A -89 )
HIS( 14 A -88 )
HIS( 14 A -87 )
HIS( 14 A -86 )
HIS( 14 A -85 )
HIS( 14 A -84 )
HIS( 14 A -83 )
SER( 14 A -82 )
HIS( 14 A -81 )
MET( 14 A -80 )
LEU( 14 A -79 )
THR( 14 A -78 )
LYS( 14 A -77 )
HIS( 14 A -76 )
GLY( 14 A -75 )
LYS( 14 A -74 )
ASN( 14 A -73 )
PRO( 14 A -72 )
VAL( 14 A -71 )
MET( 14 A -70 )
GLU( 14 A -69 )
LEU( 14 A -68 )
ASN( 14 A -67 )
GLU( 14 A -66 )
LYS( 14 A -65 )
ARG( 14 A -64 )
ARG( 14 A -63 )
GLY( 14 A -62 )
LEU( 14 A -61 )
LYS( 14 A -60 )
TYR( 14 A -59 )
GLU( 14 A -58 )
LEU( 14 A -57 )
ILE( 14 A -56 )
SER( 14 A -55 )
GLU( 14 A -54 )
THR( 14 A -53 )
GLY( 14 A -52 )
GLY( 14 A -51 )
SER( 14 A -50 )
HIS( 14 A -49 )
ASP( 14 A -48 )
LYS( 14 A -47 )
ARG( 14 A -46 )
PHE( 14 A -45 )
VAL( 14 A -44 )
MET( 14 A -43 )
GLU( 14 A -42 )
VAL( 14 A -41 )
GLU( 14 A -40 )
VAL( 14 A -39 )
ASP( 14 A -38 )
GLY( 14 A -37 )
GLN( 14 A -36 )
LYS( 14 A -35 )
PHE( 14 A -34 )
GLN( 14 A -33 )
GLY( 14 A -32 )
ALA( 14 A -31 )
GLY( 14 A -30 )
SER( 14 A -29 )
ASN( 14 A -28 )
LYS( 14 A -27 )
LYS( 14 A -26 )
VAL( 14 A -25 )
ALA( 14 A -24 )
LYS( 14 A -23 )
ALA( 14 A -22 )
TYR( 14 A -21 )
ALA( 14 A -20 )
ALA( 14 A -19 )
LEU( 14 A -18 )
ALA( 14 A -17 )
ALA( 14 A -16 )
LEU( 14 A -15 )
GLU( 14 A -14 )
LYS( 14 A -13 )
LEU( 14 A -12 )
PHE( 14 A -11 )
PRO( 14 A -10 )
ASP( 14 A -9 )
THR( 14 A -8 )
PRO( 14 A -7 )
LEU( 14 A -6 )
ALA( 14 A -5 )
LEU( 14 A -4 )
ASP( 14 A -3 )
ALA( 14 A -2 )
ASN( 14 A -1 )
LYS( 14 A 0 )
MET( 15 A -90 )
GLY( 15 A -89 )
HIS( 15 A -88 )
HIS( 15 A -87 )
HIS( 15 A -86 )
HIS( 15 A -85 )
HIS( 15 A -84 )
HIS( 15 A -83 )
SER( 15 A -82 )
HIS( 15 A -81 )
MET( 15 A -80 )
LEU( 15 A -79 )
THR( 15 A -78 )
LYS( 15 A -77 )
HIS( 15 A -76 )
GLY( 15 A -75 )
LYS( 15 A -74 )
ASN( 15 A -73 )
PRO( 15 A -72 )
VAL( 15 A -71 )
MET( 15 A -70 )
GLU( 15 A -69 )
LEU( 15 A -68 )
ASN( 15 A -67 )
GLU( 15 A -66 )
LYS( 15 A -65 )
ARG( 15 A -64 )
ARG( 15 A -63 )
GLY( 15 A -62 )
LEU( 15 A -61 )
LYS( 15 A -60 )
TYR( 15 A -59 )
GLU( 15 A -58 )
LEU( 15 A -57 )
ILE( 15 A -56 )
SER( 15 A -55 )
GLU( 15 A -54 )
THR( 15 A -53 )
GLY( 15 A -52 )
GLY( 15 A -51 )
SER( 15 A -50 )
HIS( 15 A -49 )
ASP( 15 A -48 )
LYS( 15 A -47 )
ARG( 15 A -46 )
PHE( 15 A -45 )
VAL( 15 A -44 )
MET( 15 A -43 )
GLU( 15 A -42 )
VAL( 15 A -41 )
GLU( 15 A -40 )
VAL( 15 A -39 )
ASP( 15 A -38 )
GLY( 15 A -37 )
GLN( 15 A -36 )
LYS( 15 A -35 )
PHE( 15 A -34 )
GLN( 15 A -33 )
GLY( 15 A -32 )
ALA( 15 A -31 )
GLY( 15 A -30 )
SER( 15 A -29 )
ASN( 15 A -28 )
LYS( 15 A -27 )
LYS( 15 A -26 )
VAL( 15 A -25 )
ALA( 15 A -24 )
LYS( 15 A -23 )
ALA( 15 A -22 )
TYR( 15 A -21 )
ALA( 15 A -20 )
ALA( 15 A -19 )
LEU( 15 A -18 )
ALA( 15 A -17 )
ALA( 15 A -16 )
LEU( 15 A -15 )
GLU( 15 A -14 )
LYS( 15 A -13 )
LEU( 15 A -12 )
PHE( 15 A -11 )
PRO( 15 A -10 )
ASP( 15 A -9 )
THR( 15 A -8 )
PRO( 15 A -7 )
LEU( 15 A -6 )
ALA( 15 A -5 )
LEU( 15 A -4 )
ASP( 15 A -3 )
ALA( 15 A -2 )
ASN( 15 A -1 )
LYS( 15 A 0 )
MET( 16 A -90 )
GLY( 16 A -89 )
HIS( 16 A -88 )
HIS( 16 A -87 )
HIS( 16 A -86 )
HIS( 16 A -85 )
HIS( 16 A -84 )
HIS( 16 A -83 )
SER( 16 A -82 )
HIS( 16 A -81 )
MET( 16 A -80 )
LEU( 16 A -79 )
THR( 16 A -78 )
LYS( 16 A -77 )
HIS( 16 A -76 )
GLY( 16 A -75 )
LYS( 16 A -74 )
ASN( 16 A -73 )
PRO( 16 A -72 )
VAL( 16 A -71 )
MET( 16 A -70 )
GLU( 16 A -69 )
LEU( 16 A -68 )
ASN( 16 A -67 )
GLU( 16 A -66 )
LYS( 16 A -65 )
ARG( 16 A -64 )
ARG( 16 A -63 )
GLY( 16 A -62 )
LEU( 16 A -61 )
LYS( 16 A -60 )
TYR( 16 A -59 )
GLU( 16 A -58 )
LEU( 16 A -57 )
ILE( 16 A -56 )
SER( 16 A -55 )
GLU( 16 A -54 )
THR( 16 A -53 )
GLY( 16 A -52 )
GLY( 16 A -51 )
SER( 16 A -50 )
HIS( 16 A -49 )
ASP( 16 A -48 )
LYS( 16 A -47 )
ARG( 16 A -46 )
PHE( 16 A -45 )
VAL( 16 A -44 )
MET( 16 A -43 )
GLU( 16 A -42 )
VAL( 16 A -41 )
GLU( 16 A -40 )
VAL( 16 A -39 )
ASP( 16 A -38 )
GLY( 16 A -37 )
GLN( 16 A -36 )
LYS( 16 A -35 )
PHE( 16 A -34 )
GLN( 16 A -33 )
GLY( 16 A -32 )
ALA( 16 A -31 )
GLY( 16 A -30 )
SER( 16 A -29 )
ASN( 16 A -28 )
LYS( 16 A -27 )
LYS( 16 A -26 )
VAL( 16 A -25 )
ALA( 16 A -24 )
LYS( 16 A -23 )
ALA( 16 A -22 )
TYR( 16 A -21 )
ALA( 16 A -20 )
ALA( 16 A -19 )
LEU( 16 A -18 )
ALA( 16 A -17 )
ALA( 16 A -16 )
LEU( 16 A -15 )
GLU( 16 A -14 )
LYS( 16 A -13 )
LEU( 16 A -12 )
PHE( 16 A -11 )
PRO( 16 A -10 )
ASP( 16 A -9 )
THR( 16 A -8 )
PRO( 16 A -7 )
LEU( 16 A -6 )
ALA( 16 A -5 )
LEU( 16 A -4 )
ASP( 16 A -3 )
ALA( 16 A -2 )
ASN( 16 A -1 )
LYS( 16 A 0 )
MET( 17 A -90 )
GLY( 17 A -89 )
HIS( 17 A -88 )
HIS( 17 A -87 )
HIS( 17 A -86 )
HIS( 17 A -85 )
HIS( 17 A -84 )
HIS( 17 A -83 )
SER( 17 A -82 )
HIS( 17 A -81 )
MET( 17 A -80 )
LEU( 17 A -79 )
THR( 17 A -78 )
LYS( 17 A -77 )
HIS( 17 A -76 )
GLY( 17 A -75 )
LYS( 17 A -74 )
ASN( 17 A -73 )
PRO( 17 A -72 )
VAL( 17 A -71 )
MET( 17 A -70 )
GLU( 17 A -69 )
LEU( 17 A -68 )
ASN( 17 A -67 )
GLU( 17 A -66 )
LYS( 17 A -65 )
ARG( 17 A -64 )
ARG( 17 A -63 )
GLY( 17 A -62 )
LEU( 17 A -61 )
LYS( 17 A -60 )
TYR( 17 A -59 )
GLU( 17 A -58 )
LEU( 17 A -57 )
ILE( 17 A -56 )
SER( 17 A -55 )
GLU( 17 A -54 )
THR( 17 A -53 )
GLY( 17 A -52 )
GLY( 17 A -51 )
SER( 17 A -50 )
HIS( 17 A -49 )
ASP( 17 A -48 )
LYS( 17 A -47 )
ARG( 17 A -46 )
PHE( 17 A -45 )
VAL( 17 A -44 )
MET( 17 A -43 )
GLU( 17 A -42 )
VAL( 17 A -41 )
GLU( 17 A -40 )
VAL( 17 A -39 )
ASP( 17 A -38 )
GLY( 17 A -37 )
GLN( 17 A -36 )
LYS( 17 A -35 )
PHE( 17 A -34 )
GLN( 17 A -33 )
GLY( 17 A -32 )
ALA( 17 A -31 )
GLY( 17 A -30 )
SER( 17 A -29 )
ASN( 17 A -28 )
LYS( 17 A -27 )
LYS( 17 A -26 )
VAL( 17 A -25 )
ALA( 17 A -24 )
LYS( 17 A -23 )
ALA( 17 A -22 )
TYR( 17 A -21 )
ALA( 17 A -20 )
ALA( 17 A -19 )
LEU( 17 A -18 )
ALA( 17 A -17 )
ALA( 17 A -16 )
LEU( 17 A -15 )
GLU( 17 A -14 )
LYS( 17 A -13 )
LEU( 17 A -12 )
PHE( 17 A -11 )
PRO( 17 A -10 )
ASP( 17 A -9 )
THR( 17 A -8 )
PRO( 17 A -7 )
LEU( 17 A -6 )
ALA( 17 A -5 )
LEU( 17 A -4 )
ASP( 17 A -3 )
ALA( 17 A -2 )
ASN( 17 A -1 )
LYS( 17 A 0 )
MET( 18 A -90 )
GLY( 18 A -89 )
HIS( 18 A -88 )
HIS( 18 A -87 )
HIS( 18 A -86 )
HIS( 18 A -85 )
HIS( 18 A -84 )
HIS( 18 A -83 )
SER( 18 A -82 )
HIS( 18 A -81 )
MET( 18 A -80 )
LEU( 18 A -79 )
THR( 18 A -78 )
LYS( 18 A -77 )
HIS( 18 A -76 )
GLY( 18 A -75 )
LYS( 18 A -74 )
ASN( 18 A -73 )
PRO( 18 A -72 )
VAL( 18 A -71 )
MET( 18 A -70 )
GLU( 18 A -69 )
LEU( 18 A -68 )
ASN( 18 A -67 )
GLU( 18 A -66 )
LYS( 18 A -65 )
ARG( 18 A -64 )
ARG( 18 A -63 )
GLY( 18 A -62 )
LEU( 18 A -61 )
LYS( 18 A -60 )
TYR( 18 A -59 )
GLU( 18 A -58 )
LEU( 18 A -57 )
ILE( 18 A -56 )
SER( 18 A -55 )
GLU( 18 A -54 )
THR( 18 A -53 )
GLY( 18 A -52 )
GLY( 18 A -51 )
SER( 18 A -50 )
HIS( 18 A -49 )
ASP( 18 A -48 )
LYS( 18 A -47 )
ARG( 18 A -46 )
PHE( 18 A -45 )
VAL( 18 A -44 )
MET( 18 A -43 )
GLU( 18 A -42 )
VAL( 18 A -41 )
GLU( 18 A -40 )
VAL( 18 A -39 )
ASP( 18 A -38 )
GLY( 18 A -37 )
GLN( 18 A -36 )
LYS( 18 A -35 )
PHE( 18 A -34 )
GLN( 18 A -33 )
GLY( 18 A -32 )
ALA( 18 A -31 )
GLY( 18 A -30 )
SER( 18 A -29 )
ASN( 18 A -28 )
LYS( 18 A -27 )
LYS( 18 A -26 )
VAL( 18 A -25 )
ALA( 18 A -24 )
LYS( 18 A -23 )
ALA( 18 A -22 )
TYR( 18 A -21 )
ALA( 18 A -20 )
ALA( 18 A -19 )
LEU( 18 A -18 )
ALA( 18 A -17 )
ALA( 18 A -16 )
LEU( 18 A -15 )
GLU( 18 A -14 )
LYS( 18 A -13 )
LEU( 18 A -12 )
PHE( 18 A -11 )
PRO( 18 A -10 )
ASP( 18 A -9 )
THR( 18 A -8 )
PRO( 18 A -7 )
LEU( 18 A -6 )
ALA( 18 A -5 )
LEU( 18 A -4 )
ASP( 18 A -3 )
ALA( 18 A -2 )
ASN( 18 A -1 )
LYS( 18 A 0 )
MET( 19 A -90 )
GLY( 19 A -89 )
HIS( 19 A -88 )
HIS( 19 A -87 )
HIS( 19 A -86 )
HIS( 19 A -85 )
HIS( 19 A -84 )
HIS( 19 A -83 )
SER( 19 A -82 )
HIS( 19 A -81 )
MET( 19 A -80 )
LEU( 19 A -79 )
THR( 19 A -78 )
LYS( 19 A -77 )
HIS( 19 A -76 )
GLY( 19 A -75 )
LYS( 19 A -74 )
ASN( 19 A -73 )
PRO( 19 A -72 )
VAL( 19 A -71 )
MET( 19 A -70 )
GLU( 19 A -69 )
LEU( 19 A -68 )
ASN( 19 A -67 )
GLU( 19 A -66 )
LYS( 19 A -65 )
ARG( 19 A -64 )
ARG( 19 A -63 )
GLY( 19 A -62 )
LEU( 19 A -61 )
LYS( 19 A -60 )
TYR( 19 A -59 )
GLU( 19 A -58 )
LEU( 19 A -57 )
ILE( 19 A -56 )
SER( 19 A -55 )
GLU( 19 A -54 )
THR( 19 A -53 )
GLY( 19 A -52 )
GLY( 19 A -51 )
SER( 19 A -50 )
HIS( 19 A -49 )
ASP( 19 A -48 )
LYS( 19 A -47 )
ARG( 19 A -46 )
PHE( 19 A -45 )
VAL( 19 A -44 )
MET( 19 A -43 )
GLU( 19 A -42 )
VAL( 19 A -41 )
GLU( 19 A -40 )
VAL( 19 A -39 )
ASP( 19 A -38 )
GLY( 19 A -37 )
GLN( 19 A -36 )
LYS( 19 A -35 )
PHE( 19 A -34 )
GLN( 19 A -33 )
GLY( 19 A -32 )
ALA( 19 A -31 )
GLY( 19 A -30 )
SER( 19 A -29 )
ASN( 19 A -28 )
LYS( 19 A -27 )
LYS( 19 A -26 )
VAL( 19 A -25 )
ALA( 19 A -24 )
LYS( 19 A -23 )
ALA( 19 A -22 )
TYR( 19 A -21 )
ALA( 19 A -20 )
ALA( 19 A -19 )
LEU( 19 A -18 )
ALA( 19 A -17 )
ALA( 19 A -16 )
LEU( 19 A -15 )
GLU( 19 A -14 )
LYS( 19 A -13 )
LEU( 19 A -12 )
PHE( 19 A -11 )
PRO( 19 A -10 )
ASP( 19 A -9 )
THR( 19 A -8 )
PRO( 19 A -7 )
LEU( 19 A -6 )
ALA( 19 A -5 )
LEU( 19 A -4 )
ASP( 19 A -3 )
ALA( 19 A -2 )
ASN( 19 A -1 )
LYS( 19 A 0 )
MET( 20 A -90 )
GLY( 20 A -89 )
HIS( 20 A -88 )
HIS( 20 A -87 )
HIS( 20 A -86 )
HIS( 20 A -85 )
HIS( 20 A -84 )
HIS( 20 A -83 )
SER( 20 A -82 )
HIS( 20 A -81 )
MET( 20 A -80 )
LEU( 20 A -79 )
THR( 20 A -78 )
LYS( 20 A -77 )
HIS( 20 A -76 )
GLY( 20 A -75 )
LYS( 20 A -74 )
ASN( 20 A -73 )
PRO( 20 A -72 )
VAL( 20 A -71 )
MET( 20 A -70 )
GLU( 20 A -69 )
LEU( 20 A -68 )
ASN( 20 A -67 )
GLU( 20 A -66 )
LYS( 20 A -65 )
ARG( 20 A -64 )
ARG( 20 A -63 )
GLY( 20 A -62 )
LEU( 20 A -61 )
LYS( 20 A -60 )
TYR( 20 A -59 )
GLU( 20 A -58 )
LEU( 20 A -57 )
ILE( 20 A -56 )
SER( 20 A -55 )
GLU( 20 A -54 )
THR( 20 A -53 )
GLY( 20 A -52 )
GLY( 20 A -51 )
SER( 20 A -50 )
HIS( 20 A -49 )
ASP( 20 A -48 )
LYS( 20 A -47 )
ARG( 20 A -46 )
PHE( 20 A -45 )
VAL( 20 A -44 )
MET( 20 A -43 )
GLU( 20 A -42 )
VAL( 20 A -41 )
GLU( 20 A -40 )
VAL( 20 A -39 )
ASP( 20 A -38 )
GLY( 20 A -37 )
GLN( 20 A -36 )
LYS( 20 A -35 )
PHE( 20 A -34 )
GLN( 20 A -33 )
GLY( 20 A -32 )
ALA( 20 A -31 )
GLY( 20 A -30 )
SER( 20 A -29 )
ASN( 20 A -28 )
LYS( 20 A -27 )
LYS( 20 A -26 )
VAL( 20 A -25 )
ALA( 20 A -24 )
LYS( 20 A -23 )
ALA( 20 A -22 )
TYR( 20 A -21 )
ALA( 20 A -20 )
ALA( 20 A -19 )
LEU( 20 A -18 )
ALA( 20 A -17 )
ALA( 20 A -16 )
LEU( 20 A -15 )
GLU( 20 A -14 )
LYS( 20 A -13 )
LEU( 20 A -12 )
PHE( 20 A -11 )
PRO( 20 A -10 )
ASP( 20 A -9 )
THR( 20 A -8 )
PRO( 20 A -7 )
LEU( 20 A -6 )
ALA( 20 A -5 )
LEU( 20 A -4 )
ASP( 20 A -3 )
ALA( 20 A -2 )
ASN( 20 A -1 )
LYS( 20 A 0 )
PDB Chain_ID: A
1 15
SEQRES: MET GLY HIS HIS HIS HIS HIS HIS SER HIS MET LEU THR LYS HIS
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
16 30
SEQRES: GLY LYS ASN PRO VAL MET GLU LEU ASN GLU LYS ARG ARG GLY LEU
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
31 45
SEQRES: LYS TYR GLU LEU ILE SER GLU THR GLY GLY SER HIS ASP LYS ARG
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
46 60
SEQRES: PHE VAL MET GLU VAL GLU VAL ASP GLY GLN LYS PHE GLN GLY ALA
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
61 75
SEQRES: GLY SER ASN LYS LYS VAL ALA LYS ALA TYR ALA ALA LEU ALA ALA
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
76 90
SEQRES: LEU GLU LYS LEU PHE PRO ASP THR PRO LEU ALA LEU ASP ALA ASN
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
91 105
SEQRES: LYS MET GLY HIS HIS HIS HIS HIS HIS SER HIS MET LEU THR LYS
COORDS: ... MET GLY HIS HIS HIS HIS HIS HIS SER HIS MET LEU THR LYS
1 14
106 120
SEQRES: HIS GLY LYS ASN PRO VAL MET GLU LEU ASN GLU LYS ARG ARG GLY
COORDS: HIS GLY LYS ASN PRO VAL MET GLU LEU ASN GLU LYS ARG ARG GLY
15 29
121 135
SEQRES: LEU LYS TYR GLU LEU ILE SER GLU THR GLY GLY SER HIS ASP LYS
COORDS: LEU LYS TYR GLU LEU ILE SER GLU THR GLY GLY SER HIS ASP LYS
30 44
136 150
SEQRES: ARG PHE VAL MET GLU VAL GLU VAL ASP GLY GLN LYS PHE GLN GLY
COORDS: ARG PHE VAL MET GLU VAL GLU VAL ASP GLY GLN LYS PHE GLN GLY
45 59
151 165
SEQRES: ALA GLY SER ASN LYS LYS VAL ALA LYS ALA TYR ALA ALA LEU ALA
COORDS: ALA GLY SER ASN LYS LYS VAL ALA LYS ALA TYR ALA ALA LEU ALA
60 74
166 180
SEQRES: ALA LEU GLU LYS LEU PHE PRO ASP THR PRO LEU ALA LEU ASP ALA
COORDS: ALA LEU GLU LYS LEU PHE PRO ASP THR PRO LEU ALA LEU ASP ALA
75 89
181 182
SEQRES: ASN LYS
COORDS: ASN LYS
90 91
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
HIS( 1 A 3) HD1
HIS( 1 A 4) HD1
HIS( 1 A 5) HE2
HIS( 1 A 6) HE2
HIS( 1 A 7) HE2
HIS( 1 A 8) HE2
HIS( 1 A 10) HE2
HIS( 1 A 15) HE2
GLU( 1 A 22) HE2
GLU( 1 A 25) HE2
GLU( 1 A 33) HE2
GLU( 1 A 37) HE2
HIS( 1 A 42) HD1
ASP( 1 A 43) HD2
GLU( 1 A 49) HE2
GLU( 1 A 51) HE2
ASP( 1 A 53) HD2
GLU( 1 A 77) HE2
ASP( 1 A 82) HD2
ASP( 1 A 88) HD2
HIS( 2 A 3) HD1
HIS( 2 A 4) HD1
HIS( 2 A 5) HE2
HIS( 2 A 6) HE2
HIS( 2 A 7) HD1
HIS( 2 A 8) HE2
HIS( 2 A 10) HD1
HIS( 2 A 15) HE2
GLU( 2 A 22) HE2
GLU( 2 A 25) HE2
GLU( 2 A 33) HE2
GLU( 2 A 37) HE2
HIS( 2 A 42) HE2
ASP( 2 A 43) HD2
GLU( 2 A 49) HE2
GLU( 2 A 51) HE2
ASP( 2 A 53) HD2
GLU( 2 A 77) HE2
ASP( 2 A 82) HD2
ASP( 2 A 88) HD2
HIS( 3 A 3) HE2
HIS( 3 A 4) HE2
HIS( 3 A 5) HE2
HIS( 3 A 6) HE2
HIS( 3 A 7) HD1
HIS( 3 A 8) HE2
HIS( 3 A 10) HD1
HIS( 3 A 15) HE2
GLU( 3 A 22) HE2
GLU( 3 A 25) HE2
GLU( 3 A 33) HE2
GLU( 3 A 37) HE2
HIS( 3 A 42) HD1
ASP( 3 A 43) HD2
GLU( 3 A 49) HE2
GLU( 3 A 51) HE2
ASP( 3 A 53) HD2
GLU( 3 A 77) HE2
ASP( 3 A 82) HD2
ASP( 3 A 88) HD2
HIS( 4 A 3) HE2
HIS( 4 A 4) HE2
HIS( 4 A 5) HE2
HIS( 4 A 6) HD1
HIS( 4 A 7) HD1
HIS( 4 A 8) HE2
HIS( 4 A 10) HD1
HIS( 4 A 15) HE2
GLU( 4 A 22) HE2
GLU( 4 A 25) HE2
GLU( 4 A 33) HE2
GLU( 4 A 37) HE2
HIS( 4 A 42) HE2
ASP( 4 A 43) HD2
GLU( 4 A 49) HE2
GLU( 4 A 51) HE2
ASP( 4 A 53) HD2
GLU( 4 A 77) HE2
ASP( 4 A 82) HD2
ASP( 4 A 88) HD2
HIS( 5 A 3) HE2
HIS( 5 A 4) HD1
HIS( 5 A 5) HD1
HIS( 5 A 6) HE2
HIS( 5 A 7) HE2
HIS( 5 A 8) HE2
HIS( 5 A 10) HD1
HIS( 5 A 15) HE2
GLU( 5 A 22) HE2
GLU( 5 A 25) HE2
GLU( 5 A 33) HE2
GLU( 5 A 37) HE2
HIS( 5 A 42) HE2
ASP( 5 A 43) HD2
GLU( 5 A 49) HE2
GLU( 5 A 51) HE2
ASP( 5 A 53) HD2
GLU( 5 A 77) HE2
ASP( 5 A 82) HD2
ASP( 5 A 88) HD2
HIS( 6 A 3) HD1
HIS( 6 A 4) HD1
HIS( 6 A 5) HD1
HIS( 6 A 6) HE2
HIS( 6 A 7) HD1
HIS( 6 A 8) HD1
HIS( 6 A 10) HE2
HIS( 6 A 15) HE2
GLU( 6 A 22) HE2
GLU( 6 A 25) HE2
GLU( 6 A 33) HE2
GLU( 6 A 37) HE2
HIS( 6 A 42) HD1
ASP( 6 A 43) HD2
GLU( 6 A 49) HE2
GLU( 6 A 51) HE2
ASP( 6 A 53) HD2
GLU( 6 A 77) HE2
ASP( 6 A 82) HD2
ASP( 6 A 88) HD2
HIS( 7 A 3) HE2
HIS( 7 A 4) HD1
HIS( 7 A 5) HE2
HIS( 7 A 6) HD1
HIS( 7 A 7) HD1
HIS( 7 A 8) HE2
HIS( 7 A 10) HE2
HIS( 7 A 15) HD1
GLU( 7 A 22) HE2
GLU( 7 A 25) HE2
GLU( 7 A 33) HE2
GLU( 7 A 37) HE2
HIS( 7 A 42) HD1
ASP( 7 A 43) HD2
GLU( 7 A 49) HE2
GLU( 7 A 51) HE2
ASP( 7 A 53) HD2
GLU( 7 A 77) HE2
ASP( 7 A 82) HD2
ASP( 7 A 88) HD2
HIS( 8 A 3) HE2
HIS( 8 A 4) HE2
HIS( 8 A 5) HD1
HIS( 8 A 6) HD1
HIS( 8 A 7) HD1
HIS( 8 A 8) HD1
HIS( 8 A 10) HE2
HIS( 8 A 15) HE2
GLU( 8 A 22) HE2
GLU( 8 A 25) HE2
GLU( 8 A 33) HE2
GLU( 8 A 37) HE2
HIS( 8 A 42) HD1
ASP( 8 A 43) HD2
GLU( 8 A 49) HE2
GLU( 8 A 51) HE2
ASP( 8 A 53) HD2
GLU( 8 A 77) HE2
ASP( 8 A 82) HD2
ASP( 8 A 88) HD2
HIS( 9 A 3) HD1
HIS( 9 A 4) HE2
HIS( 9 A 5) HD1
HIS( 9 A 6) HE2
HIS( 9 A 7) HE2
HIS( 9 A 8) HD1
HIS( 9 A 10) HE2
HIS( 9 A 15) HD1
GLU( 9 A 22) HE2
GLU( 9 A 25) HE2
GLU( 9 A 33) HE2
GLU( 9 A 37) HE2
HIS( 9 A 42) HD1
ASP( 9 A 43) HD2
GLU( 9 A 49) HE2
GLU( 9 A 51) HE2
ASP( 9 A 53) HD2
GLU( 9 A 77) HE2
ASP( 9 A 82) HD2
ASP( 9 A 88) HD2
HIS( 10 A 3) HE2
HIS( 10 A 4) HD1
HIS( 10 A 5) HE2
HIS( 10 A 6) HE2
HIS( 10 A 7) HE2
HIS( 10 A 8) HD1
HIS( 10 A 10) HE2
HIS( 10 A 15) HD1
GLU( 10 A 22) HE2
GLU( 10 A 25) HE2
GLU( 10 A 33) HE2
GLU( 10 A 37) HE2
HIS( 10 A 42) HE2
ASP( 10 A 43) HD2
GLU( 10 A 49) HE2
GLU( 10 A 51) HE2
ASP( 10 A 53) HD2
GLU( 10 A 77) HE2
ASP( 10 A 82) HD2
ASP( 10 A 88) HD2
HIS( 11 A 3) HD1
HIS( 11 A 4) HD1
HIS( 11 A 5) HD1
HIS( 11 A 6) HE2
HIS( 11 A 7) HE2
HIS( 11 A 8) HD1
HIS( 11 A 10) HE2
HIS( 11 A 15) HE2
GLU( 11 A 22) HE2
GLU( 11 A 25) HE2
GLU( 11 A 33) HE2
GLU( 11 A 37) HE2
HIS( 11 A 42) HD1
ASP( 11 A 43) HD2
GLU( 11 A 49) HE2
GLU( 11 A 51) HE2
ASP( 11 A 53) HD2
GLU( 11 A 77) HE2
ASP( 11 A 82) HD2
ASP( 11 A 88) HD2
HIS( 12 A 3) HE2
HIS( 12 A 4) HD1
HIS( 12 A 5) HD1
HIS( 12 A 6) HD1
HIS( 12 A 7) HD1
HIS( 12 A 8) HD1
HIS( 12 A 10) HD1
HIS( 12 A 15) HD1
GLU( 12 A 22) HE2
GLU( 12 A 25) HE2
GLU( 12 A 33) HE2
GLU( 12 A 37) HE2
HIS( 12 A 42) HE2
ASP( 12 A 43) HD2
GLU( 12 A 49) HE2
GLU( 12 A 51) HE2
ASP( 12 A 53) HD2
GLU( 12 A 77) HE2
ASP( 12 A 82) HD2
ASP( 12 A 88) HD2
HIS( 13 A 3) HD1
HIS( 13 A 4) HE2
HIS( 13 A 5) HD1
HIS( 13 A 6) HE2
HIS( 13 A 7) HE2
HIS( 13 A 8) HD1
HIS( 13 A 10) HE2
HIS( 13 A 15) HE2
GLU( 13 A 22) HE2
GLU( 13 A 25) HE2
GLU( 13 A 33) HE2
GLU( 13 A 37) HE2
HIS( 13 A 42) HD1
ASP( 13 A 43) HD2
GLU( 13 A 49) HE2
GLU( 13 A 51) HE2
ASP( 13 A 53) HD2
GLU( 13 A 77) HE2
ASP( 13 A 82) HD2
ASP( 13 A 88) HD2
HIS( 14 A 3) HE2
HIS( 14 A 4) HD1
HIS( 14 A 5) HE2
HIS( 14 A 6) HD1
HIS( 14 A 7) HE2
HIS( 14 A 8) HE2
HIS( 14 A 10) HD1
HIS( 14 A 15) HE2
GLU( 14 A 22) HE2
GLU( 14 A 25) HE2
GLU( 14 A 33) HE2
GLU( 14 A 37) HE2
HIS( 14 A 42) HE2
ASP( 14 A 43) HD2
GLU( 14 A 49) HE2
GLU( 14 A 51) HE2
ASP( 14 A 53) HD2
GLU( 14 A 77) HE2
ASP( 14 A 82) HD2
ASP( 14 A 88) HD2
HIS( 15 A 3) HE2
HIS( 15 A 4) HE2
HIS( 15 A 5) HD1
HIS( 15 A 6) HD1
HIS( 15 A 7) HE2
HIS( 15 A 8) HE2
HIS( 15 A 10) HD1
HIS( 15 A 15) HE2
GLU( 15 A 22) HE2
GLU( 15 A 25) HE2
GLU( 15 A 33) HE2
GLU( 15 A 37) HE2
HIS( 15 A 42) HE2
ASP( 15 A 43) HD2
GLU( 15 A 49) HE2
GLU( 15 A 51) HE2
ASP( 15 A 53) HD2
GLU( 15 A 77) HE2
ASP( 15 A 82) HD2
ASP( 15 A 88) HD2
HIS( 16 A 3) HD1
HIS( 16 A 4) HD1
HIS( 16 A 5) HD1
HIS( 16 A 6) HE2
HIS( 16 A 7) HE2
HIS( 16 A 8) HE2
HIS( 16 A 10) HE2
HIS( 16 A 15) HE2
GLU( 16 A 22) HE2
GLU( 16 A 25) HE2
GLU( 16 A 33) HE2
GLU( 16 A 37) HE2
HIS( 16 A 42) HD1
ASP( 16 A 43) HD2
GLU( 16 A 49) HE2
GLU( 16 A 51) HE2
ASP( 16 A 53) HD2
GLU( 16 A 77) HE2
ASP( 16 A 82) HD2
ASP( 16 A 88) HD2
HIS( 17 A 3) HD1
HIS( 17 A 4) HD1
HIS( 17 A 5) HE2
HIS( 17 A 6) HD1
HIS( 17 A 7) HD1
HIS( 17 A 8) HE2
HIS( 17 A 10) HE2
HIS( 17 A 15) HE2
GLU( 17 A 22) HE2
GLU( 17 A 25) HE2
GLU( 17 A 33) HE2
GLU( 17 A 37) HE2
HIS( 17 A 42) HE2
ASP( 17 A 43) HD2
GLU( 17 A 49) HE2
GLU( 17 A 51) HE2
ASP( 17 A 53) HD2
GLU( 17 A 77) HE2
ASP( 17 A 82) HD2
ASP( 17 A 88) HD2
HIS( 18 A 3) HE2
HIS( 18 A 4) HD1
HIS( 18 A 5) HE2
HIS( 18 A 6) HD1
HIS( 18 A 7) HE2
HIS( 18 A 8) HE2
HIS( 18 A 10) HE2
HIS( 18 A 15) HE2
GLU( 18 A 22) HE2
GLU( 18 A 25) HE2
GLU( 18 A 33) HE2
GLU( 18 A 37) HE2
HIS( 18 A 42) HD1
ASP( 18 A 43) HD2
GLU( 18 A 49) HE2
GLU( 18 A 51) HE2
ASP( 18 A 53) HD2
GLU( 18 A 77) HE2
ASP( 18 A 82) HD2
ASP( 18 A 88) HD2
HIS( 19 A 3) HD1
HIS( 19 A 4) HD1
HIS( 19 A 5) HE2
HIS( 19 A 6) HD1
HIS( 19 A 7) HD1
HIS( 19 A 8) HE2
HIS( 19 A 10) HE2
HIS( 19 A 15) HE2
GLU( 19 A 22) HE2
GLU( 19 A 25) HE2
GLU( 19 A 33) HE2
GLU( 19 A 37) HE2
HIS( 19 A 42) HD1
ASP( 19 A 43) HD2
GLU( 19 A 49) HE2
GLU( 19 A 51) HE2
ASP( 19 A 53) HD2
GLU( 19 A 77) HE2
ASP( 19 A 82) HD2
ASP( 19 A 88) HD2
HIS( 20 A 3) HE2
HIS( 20 A 4) HD1
HIS( 20 A 5) HD1
HIS( 20 A 6) HD1
HIS( 20 A 7) HE2
HIS( 20 A 8) HE2
HIS( 20 A 10) HE2
HIS( 20 A 15) HD1
GLU( 20 A 22) HE2
GLU( 20 A 25) HE2
GLU( 20 A 33) HE2
GLU( 20 A 37) HE2
HIS( 20 A 42) HD1
ASP( 20 A 43) HD2
GLU( 20 A 49) HE2
GLU( 20 A 51) HE2
ASP( 20 A 53) HD2
GLU( 20 A 77) HE2
ASP( 20 A 82) HD2
ASP( 20 A 88) HD2
==> The following residues have extra atoms:
RES MOD#C SEQ ATOMS
LYS( 1 A 91) O2
LYS( 2 A 91) O2
LYS( 3 A 91) O2
LYS( 4 A 91) O2
LYS( 5 A 91) O2
LYS( 6 A 91) O2
LYS( 7 A 91) O2
LYS( 8 A 91) O2
LYS( 9 A 91) O2
LYS( 10 A 91) O2
LYS( 11 A 91) O2
LYS( 12 A 91) O2
LYS( 13 A 91) O2
LYS( 14 A 91) O2
LYS( 15 A 91) O2
LYS( 16 A 91) O2
LYS( 17 A 91) O2
LYS( 18 A 91) O2
LYS( 19 A 91) O2
LYS( 20 A 91) 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
HR4527E_R3_em_bcr3.pdb: Missing KEYWDS records
HR4527E_R3_em_bcr3.pdb: Missing TITLE record