Detailed results of SOR77_R3_em_bcr3 by PSVS
Output from PDBStat
Constraints analysis
table of NOE constraints
# -------------- SUMMARY OF RESTRAINTS ---------------
# TOTAL NUMBER OF NOE RESTRAINTS : 1356
# INTRA-RESIDUE RESTRAINTS (I=J) : 0
# SEQUENTIAL RESTRAINTS (I-J)=1 : 198
# BACKBONE-BACKBONE : 98
# BACKBONE-SIDE CHAIN : 64
# SIDE CHAIN-SIDE CHAIN : 36
# MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 778
# BACKBONE-BACKBONE : 304
# BACKBONE-SIDE CHAIN : 174
# SIDE CHAIN-SIDE CHAIN : 300
# LONG RANGE RESTRAINTS (I-J)>=5 : 380
# TOTAL HYDROGEN BOND RESTRAINTS : 0
# LONG RANGE H-BOND RESTR. (I-J)>=5 : 0
# DISULFIDE RESTRAINTS : 0
# INTRA-CHAIN RESTRAINTS : 1048
# INTER-CHAIN RESTRAINTS : 308
# AMBIGUOUS RESTRAINTS : 0
# -----------------------------------------------------
# -----------------------------------------------------
# -----------------------------------------------------
# RES # INTRA INTER seq med lng InterChain
MET 1 0 0.0 0.0 0.0 0.0 0.0
ALA 2 0 0.0 0.0 0.0 0.0 0.0
ILE 3 0 0.0 0.0 0.0 0.0 0.0
GLN 4 0 0.0 0.0 0.0 0.0 0.0
SER 5 0 1.0 0.0 1.0 0.0 0.0
LYS 6 0 2.0 2.0 0.0 0.0 0.0
TYR 7 0 12.5 2.0 2.0 8.5 6.5
SER 8 0 4.0 0.5 3.5 0.0 0.0
ASN 9 0 4.5 1.0 3.5 0.0 0.0
THR 10 0 4.5 1.5 3.0 0.0 0.0
GLN 11 0 10.5 1.5 6.0 3.0 3.0
VAL 12 0 15.5 1.0 9.0 5.5 3.5
GLU 13 0 7.5 1.0 6.5 0.0 0.0
SER 14 0 5.5 1.0 4.5 0.0 0.0
LEU 15 0 15.5 2.0 7.5 6.0 6.0
ILE 16 0 18.5 1.5 9.5 7.5 7.5
ALA 17 0 6.0 1.0 5.0 0.0 0.0
GLU 18 0 9.5 2.0 7.5 0.0 2.5
ILE 19 0 13.5 1.5 10.0 2.0 6.0
LEU 20 0 11.5 1.5 5.5 4.5 4.5
VAL 21 0 10.0 2.0 8.0 0.0 0.0
VAL 22 0 13.5 2.0 11.0 0.5 4.0
LEU 23 0 16.5 1.5 6.5 8.5 3.0
GLU 24 0 6.0 1.0 5.0 0.0 0.0
LYS 25 0 10.0 1.5 8.5 0.0 0.0
HIS 26 0 10.0 1.5 6.0 2.5 2.5
LYS 27 0 3.5 1.5 2.0 0.0 0.0
ALA 28 0 14.0 2.5 5.0 6.5 1.5
PRO 29 0 7.5 2.5 4.5 0.5 0.5
THR 30 0 7.5 1.0 3.5 3.0 3.0
ASP 31 0 5.0 0.5 4.0 0.5 0.5
LEU 32 0 20.5 1.0 11.0 8.5 8.5
SER 33 0 11.0 1.5 4.0 5.5 2.0
LEU 34 0 14.5 1.5 8.5 4.5 4.5
MET 35 0 11.0 1.0 7.5 2.5 2.5
ALA 36 0 13.0 0.5 5.5 7.0 6.0
LEU 37 0 12.5 0.5 10.0 2.0 3.5
GLY 38 0 11.0 1.5 5.5 4.0 4.5
ASN 39 0 12.0 2.0 7.5 2.5 2.5
CYS 40 0 11.5 2.5 7.0 2.0 3.0
VAL 41 0 25.0 3.0 12.5 9.5 8.0
THR 42 0 13.0 1.5 6.0 5.5 5.5
HIS 43 0 10.0 2.0 4.5 3.5 3.5
LEU 44 0 10.5 2.5 4.0 4.0 4.0
LEU 45 0 16.0 1.0 8.0 7.0 0.5
GLU 46 0 6.5 1.0 2.5 3.0 0.0
ARG 47 0 3.0 1.0 2.0 0.0 0.0
LYS 48 0 4.5 2.0 1.0 1.5 1.5
VAL 49 0 13.0 3.5 5.0 4.5 0.0
PRO 50 0 6.5 2.5 4.0 0.0 0.0
SER 51 0 8.0 1.0 6.5 0.5 0.5
GLU 52 0 4.0 1.0 3.0 0.0 0.0
SER 53 0 10.5 1.5 9.0 0.0 0.0
ARG 54 0 24.5 1.5 9.0 14.0 4.0
GLN 55 0 7.5 1.5 3.0 3.0 3.0
ALA 56 0 8.5 2.0 6.5 0.0 0.0
VAL 57 0 13.5 2.0 8.0 3.5 1.0
ALA 58 0 12.0 2.0 6.0 4.0 2.5
GLU 59 0 8.0 1.5 6.5 0.0 0.0
GLN 60 0 8.5 1.0 7.5 0.0 0.0
PHE 61 0 18.0 1.5 8.0 8.5 6.5
ALA 62 0 11.5 1.5 10.0 0.0 1.0
LYS 63 0 6.0 1.5 4.5 0.0 0.0
ALA 64 0 6.0 1.5 4.5 0.0 0.0
LEU 65 0 19.5 1.0 9.0 9.5 9.5
ALA 66 0 6.5 0.5 5.5 0.5 1.0
GLN 67 0 3.5 0.0 3.5 0.0 0.0
SER 68 0 5.0 1.5 3.0 0.5 0.5
VAL 69 0 15.5 2.0 4.5 9.0 9.0
LYS 70 0 5.0 0.5 4.0 0.5 0.5
SER 71 0 1.5 0.5 1.0 0.0 0.0
ASN 72 0 2.0 1.0 1.0 0.0 0.0
LEU 73 0 2.0 0.5 1.0 0.5 0.5
GLU 74 0 0.5 0.0 0.5 0.0 0.0
HIS 75 0 0.0 0.0 0.0 0.0 0.0
HIS 76 0 0.0 0.0 0.0 0.0 0.0
HIS 77 0 0.0 0.0 0.0 0.0 0.0
HIS 78 0 0.0 0.0 0.0 0.0 0.0
HIS 79 0 0.0 0.0 0.0 0.0 0.0
HIS 80 0 0.0 0.0 0.0 0.0 0.0
MET 1 0 0.0 0.0 0.0 0.0 0.0
ALA 2 0 0.0 0.0 0.0 0.0 0.0
ILE 3 0 0.0 0.0 0.0 0.0 0.0
GLN 4 0 0.0 0.0 0.0 0.0 0.0
SER 5 0 1.0 0.0 1.0 0.0 0.0
LYS 6 0 2.0 2.0 0.0 0.0 0.0
TYR 7 0 12.5 2.0 2.0 8.5 6.5
SER 8 0 4.0 0.5 3.5 0.0 0.0
ASN 9 0 4.5 1.0 3.5 0.0 0.0
THR 10 0 4.5 1.5 3.0 0.0 0.0
GLN 11 0 10.5 1.5 6.0 3.0 3.0
VAL 12 0 15.5 1.0 9.0 5.5 3.5
GLU 13 0 7.5 1.0 6.5 0.0 0.0
SER 14 0 5.5 1.0 4.5 0.0 0.0
LEU 15 0 15.5 2.0 7.5 6.0 6.0
ILE 16 0 18.5 1.5 9.5 7.5 7.5
ALA 17 0 6.0 1.0 5.0 0.0 0.0
GLU 18 0 9.5 2.0 7.5 0.0 2.5
ILE 19 0 13.5 1.5 10.0 2.0 6.0
LEU 20 0 11.5 1.5 5.5 4.5 4.5
VAL 21 0 10.0 2.0 8.0 0.0 0.0
VAL 22 0 13.5 2.0 11.0 0.5 4.0
LEU 23 0 16.5 1.5 6.5 8.5 3.0
GLU 24 0 6.0 1.0 5.0 0.0 0.0
LYS 25 0 10.0 1.5 8.5 0.0 0.0
HIS 26 0 10.0 1.5 6.0 2.5 2.5
LYS 27 0 3.5 1.5 2.0 0.0 0.0
ALA 28 0 14.0 2.5 5.0 6.5 1.5
PRO 29 0 7.5 2.5 4.5 0.5 0.5
THR 30 0 7.5 1.0 3.5 3.0 3.0
ASP 31 0 5.0 0.5 4.0 0.5 0.5
LEU 32 0 20.5 1.0 11.0 8.5 8.5
SER 33 0 11.0 1.5 4.0 5.5 2.0
LEU 34 0 14.5 1.5 8.5 4.5 4.5
MET 35 0 11.0 1.0 7.5 2.5 2.5
ALA 36 0 13.0 0.5 5.5 7.0 6.0
LEU 37 0 12.5 0.5 10.0 2.0 3.5
GLY 38 0 11.0 1.5 5.5 4.0 4.5
ASN 39 0 12.0 2.0 7.5 2.5 2.5
CYS 40 0 11.5 2.5 7.0 2.0 3.0
VAL 41 0 25.0 3.0 12.5 9.5 8.0
THR 42 0 13.0 1.5 6.0 5.5 5.5
HIS 43 0 10.0 2.0 4.5 3.5 3.5
LEU 44 0 10.5 2.5 4.0 4.0 4.0
LEU 45 0 16.0 1.0 8.0 7.0 0.5
GLU 46 0 6.5 1.0 2.5 3.0 0.0
ARG 47 0 3.0 1.0 2.0 0.0 0.0
LYS 48 0 4.5 2.0 1.0 1.5 1.5
VAL 49 0 13.0 3.5 5.0 4.5 0.0
PRO 50 0 6.5 2.5 4.0 0.0 0.0
SER 51 0 8.0 1.0 6.5 0.5 0.5
GLU 52 0 4.0 1.0 3.0 0.0 0.0
SER 53 0 10.5 1.5 9.0 0.0 0.0
ARG 54 0 24.5 1.5 9.0 14.0 4.0
GLN 55 0 7.5 1.5 3.0 3.0 3.0
ALA 56 0 8.5 2.0 6.5 0.0 0.0
VAL 57 0 13.5 2.0 8.0 3.5 1.0
ALA 58 0 12.0 2.0 6.0 4.0 2.5
GLU 59 0 8.0 1.5 6.5 0.0 0.0
GLN 60 0 8.5 1.0 7.5 0.0 0.0
PHE 61 0 18.0 1.5 8.0 8.5 6.5
ALA 62 0 11.5 1.5 10.0 0.0 1.0
LYS 63 0 6.0 1.5 4.5 0.0 0.0
ALA 64 0 6.0 1.5 4.5 0.0 0.0
LEU 65 0 19.5 1.0 9.0 9.5 9.5
ALA 66 0 6.5 0.5 5.5 0.5 1.0
GLN 67 0 3.5 0.0 3.5 0.0 0.0
SER 68 0 5.0 1.5 3.0 0.5 0.5
VAL 69 0 15.5 2.0 4.5 9.0 9.0
LYS 70 0 5.0 0.5 4.0 0.5 0.5
SER 71 0 1.5 0.5 1.0 0.0 0.0
ASN 72 0 2.0 1.0 1.0 0.0 0.0
LEU 73 0 2.0 0.5 1.0 0.5 0.5
GLU 74 0 0.5 0.0 0.5 0.0 0.0
HIS 75 0 0.0 0.0 0.0 0.0 0.0
HIS 76 0 0.0 0.0 0.0 0.0 0.0
HIS 77 0 0.0 0.0 0.0 0.0 0.0
HIS 78 0 0.0 0.0 0.0 0.0 0.0
HIS 79 0 0.0 0.0 0.0 0.0 0.0
HIS 80 0 0.0 0.0 0.0 0.0 0.0
# TOTAL 0 1356.0 198.0 778.0 380.0 308.0
# TOTAL NUMBER OF RESTRAINTS (CHECKING): 1356.0
List of conformationally-resticting NOE constraints
assign ((segid A and resid 7 and name HB1 )) ((segid B and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HB2 )) ((segid B and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HD# )) ((segid B and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HD# )) ((segid B and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HD# )) ((segid B and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HE# )) ((segid B and resid 29 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HE# )) ((segid B and resid 31 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HE# )) ((segid B and resid 32 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HE# )) ((segid B and resid 32 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HE# )) ((segid B and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HE# )) ((segid B and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HE# )) ((segid B and resid 32 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HE# )) ((segid B and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 11 and name HB# )) ((segid B and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 11 and name HB# )) ((segid B and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 11 and name HE2# )) ((segid B and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 11 and name HG# )) ((segid B and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 11 and name HG# )) ((segid B and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 11 and name HG# )) ((segid B and resid 32 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HA )) ((segid B and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HG1# )) ((segid B and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HG1# )) ((segid B and resid 35 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HG1# )) ((segid B and resid 36 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HG1# )) ((segid B and resid 36 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HG2# )) ((segid B and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HN )) ((segid B and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HA )) ((segid B and resid 22 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HD1# )) ((segid B and resid 26 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HD1# )) ((segid B and resid 26 and name HD2 )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HD1# )) ((segid B and resid 26 and name HE1 )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HD1# )) ((segid B and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HD2# )) ((segid B and resid 26 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HD2# )) ((segid B and resid 26 and name HD2 )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HD2# )) ((segid B and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HD2# )) ((segid B and resid 33 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HD2# )) ((segid B and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HD2# )) ((segid B and resid 36 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HG )) ((segid B and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HA )) ((segid B and resid 36 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HA )) ((segid B and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HD1# )) ((segid B and resid 36 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HD1# )) ((segid B and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HD1# )) ((segid B and resid 39 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HD1# )) ((segid B and resid 39 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HG11 )) ((segid B and resid 36 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HG12 )) ((segid B and resid 36 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HG1# )) ((segid B and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HG1# )) ((segid B and resid 39 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HG2# )) ((segid B and resid 39 and name HB1 )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HG2# )) ((segid B and resid 39 and name HB2 )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HG2# )) ((segid B and resid 40 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HG2# )) ((segid B and resid 43 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HG2# )) ((segid B and resid 43 and name HD2 )) 1.80 0.00 3.20
assign ((segid A and resid 18 and name HB# )) ((segid B and resid 22 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 18 and name HB# )) ((segid B and resid 22 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 18 and name HG# )) ((segid B and resid 22 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 18 and name HG# )) ((segid B and resid 22 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 18 and name HN )) ((segid B and resid 22 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HB )) ((segid B and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HD1# )) ((segid B and resid 22 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HD1# )) ((segid B and resid 23 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HD1# )) ((segid B and resid 23 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HD1# )) ((segid B and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HD1# )) ((segid B and resid 37 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HD1# )) ((segid B and resid 37 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HG2# )) ((segid B and resid 22 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HG2# )) ((segid B and resid 23 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HG2# )) ((segid B and resid 23 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HG2# )) ((segid B and resid 23 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HG2# )) ((segid B and resid 23 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HD1# )) ((segid B and resid 43 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HD1# )) ((segid B and resid 43 and name HD2 )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HD1# )) ((segid B and resid 43 and name HE1 )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HD2# )) ((segid B and resid 40 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HD2# )) ((segid B and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HD2# )) ((segid B and resid 43 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HD2# )) ((segid B and resid 43 and name HD2 )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HD2# )) ((segid B and resid 44 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HD2# )) ((segid B and resid 44 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HA )) ((segid B and resid 44 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HA )) ((segid B and resid 44 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HG2# )) ((segid B and resid 44 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HG2# )) ((segid B and resid 48 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HG2# )) ((segid B and resid 48 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HG2# )) ((segid B and resid 48 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 33 and name HA )) ((segid B and resid 44 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 33 and name HB# )) ((segid B and resid 44 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 33 and name HB# )) ((segid B and resid 44 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HA )) ((segid B and resid 41 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HD1# )) ((segid B and resid 61 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HD2# )) ((segid B and resid 41 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HD2# )) ((segid B and resid 41 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HD2# )) ((segid B and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HD2# )) ((segid B and resid 57 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HD2# )) ((segid B and resid 57 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HD2# )) ((segid B and resid 61 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HD2# )) ((segid B and resid 61 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 37 and name HD1# )) ((segid B and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 37 and name HD1# )) ((segid B and resid 41 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 37 and name HD1# )) ((segid B and resid 41 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 37 and name HD1# )) ((segid B and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 37 and name HD2# )) ((segid B and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HA1 )) ((segid B and resid 61 and name HZ )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HA2 )) ((segid B and resid 61 and name HZ )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HA# )) ((segid B and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HA# )) ((segid B and resid 61 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HA# )) ((segid B and resid 65 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HA# )) ((segid B and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HA# )) ((segid B and resid 65 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HN )) ((segid B and resid 61 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HN )) ((segid B and resid 61 and name HZ )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HB )) ((segid B and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HB )) ((segid B and resid 65 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid B and resid 61 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid B and resid 61 and name HZ )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid B and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid B and resid 65 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG2# )) ((segid B and resid 61 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG2# )) ((segid B and resid 61 and name HZ )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HA )) ((segid B and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HA )) ((segid B and resid 65 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HB )) ((segid B and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HG2# )) ((segid B and resid 65 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HG2# )) ((segid B and resid 65 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HG2# )) ((segid B and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HG2# )) ((segid B and resid 65 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HG2# )) ((segid B and resid 68 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HG2# )) ((segid B and resid 69 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HN )) ((segid B and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HN )) ((segid B and resid 65 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HB# )) ((segid B and resid 69 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 51 and name HB# )) ((segid B and resid 73 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HA )) ((segid B and resid 69 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HB# )) ((segid B and resid 69 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HB# )) ((segid B and resid 69 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HD1 )) ((segid B and resid 69 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HD2 )) ((segid B and resid 69 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HD# )) ((segid B and resid 69 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HG# )) ((segid B and resid 69 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HG# )) ((segid B and resid 69 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 55 and name HA )) ((segid B and resid 69 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 55 and name HB# )) ((segid B and resid 69 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 55 and name HG# )) ((segid B and resid 69 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 55 and name HG# )) ((segid B and resid 69 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 55 and name HG# )) ((segid B and resid 70 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 55 and name HN )) ((segid B and resid 69 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 58 and name HB# )) ((segid B and resid 65 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 58 and name HB# )) ((segid B and resid 66 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 58 and name HB# )) ((segid B and resid 69 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 58 and name HB# )) ((segid B and resid 69 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 58 and name HB# )) ((segid B and resid 69 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HE# )) ((segid B and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 62 and name HB# )) ((segid B and resid 65 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 62 and name HB# )) ((segid B and resid 66 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HB1 )) ((segid A and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HB2 )) ((segid A and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HD# )) ((segid A and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HD# )) ((segid A and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HD# )) ((segid A and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HE# )) ((segid A and resid 29 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HE# )) ((segid A and resid 31 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HE# )) ((segid A and resid 32 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HE# )) ((segid A and resid 32 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HE# )) ((segid A and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HE# )) ((segid A and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HE# )) ((segid A and resid 32 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HE# )) ((segid A and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 11 and name HB# )) ((segid A and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 11 and name HB# )) ((segid A and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 11 and name HE2# )) ((segid A and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 11 and name HG# )) ((segid A and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 11 and name HG# )) ((segid A and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 11 and name HG# )) ((segid A and resid 32 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HA )) ((segid A and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HG1# )) ((segid A and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HG1# )) ((segid A and resid 35 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HG1# )) ((segid A and resid 36 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HG1# )) ((segid A and resid 36 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HG2# )) ((segid A and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HN )) ((segid A and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HA )) ((segid A and resid 22 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HD1# )) ((segid A and resid 26 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HD1# )) ((segid A and resid 26 and name HD2 )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HD1# )) ((segid A and resid 26 and name HE1 )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HD1# )) ((segid A and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HD2# )) ((segid A and resid 26 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HD2# )) ((segid A and resid 26 and name HD2 )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HD2# )) ((segid A and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HD2# )) ((segid A and resid 33 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HD2# )) ((segid A and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HD2# )) ((segid A and resid 36 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HG )) ((segid A and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HA )) ((segid A and resid 36 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HA )) ((segid A and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HD1# )) ((segid A and resid 36 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HD1# )) ((segid A and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HD1# )) ((segid A and resid 39 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HD1# )) ((segid A and resid 39 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HG11 )) ((segid A and resid 36 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HG12 )) ((segid A and resid 36 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HG1# )) ((segid A and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HG1# )) ((segid A and resid 39 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HG2# )) ((segid A and resid 39 and name HB1 )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HG2# )) ((segid A and resid 39 and name HB2 )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HG2# )) ((segid A and resid 40 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HG2# )) ((segid A and resid 43 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HG2# )) ((segid A and resid 43 and name HD2 )) 1.80 0.00 3.20
assign ((segid B and resid 18 and name HB# )) ((segid A and resid 22 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 18 and name HB# )) ((segid A and resid 22 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 18 and name HG# )) ((segid A and resid 22 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 18 and name HG# )) ((segid A and resid 22 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 18 and name HN )) ((segid A and resid 22 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HB )) ((segid A and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HD1# )) ((segid A and resid 22 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HD1# )) ((segid A and resid 23 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HD1# )) ((segid A and resid 23 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HD1# )) ((segid A and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HD1# )) ((segid A and resid 37 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HD1# )) ((segid A and resid 37 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HG2# )) ((segid A and resid 22 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HG2# )) ((segid A and resid 23 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HG2# )) ((segid A and resid 23 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HG2# )) ((segid A and resid 23 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HG2# )) ((segid A and resid 23 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HD1# )) ((segid A and resid 43 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HD1# )) ((segid A and resid 43 and name HD2 )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HD1# )) ((segid A and resid 43 and name HE1 )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HD2# )) ((segid A and resid 40 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HD2# )) ((segid A and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HD2# )) ((segid A and resid 43 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HD2# )) ((segid A and resid 43 and name HD2 )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HD2# )) ((segid A and resid 44 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HD2# )) ((segid A and resid 44 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HA )) ((segid A and resid 44 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HA )) ((segid A and resid 44 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HG2# )) ((segid A and resid 44 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HG2# )) ((segid A and resid 48 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HG2# )) ((segid A and resid 48 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HG2# )) ((segid A and resid 48 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HA )) ((segid A and resid 44 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HB# )) ((segid A and resid 44 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HB# )) ((segid A and resid 44 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HA )) ((segid A and resid 41 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD1# )) ((segid A and resid 61 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD2# )) ((segid A and resid 41 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD2# )) ((segid A and resid 41 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD2# )) ((segid A and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD2# )) ((segid A and resid 57 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD2# )) ((segid A and resid 57 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD2# )) ((segid A and resid 61 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD2# )) ((segid A and resid 61 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 37 and name HD1# )) ((segid A and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 37 and name HD1# )) ((segid A and resid 41 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 37 and name HD1# )) ((segid A and resid 41 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 37 and name HD1# )) ((segid A and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 37 and name HD2# )) ((segid A and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HA1 )) ((segid A and resid 61 and name HZ )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HA2 )) ((segid A and resid 61 and name HZ )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HA# )) ((segid A and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HA# )) ((segid A and resid 61 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HA# )) ((segid A and resid 65 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HA# )) ((segid A and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HA# )) ((segid A and resid 65 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HN )) ((segid A and resid 61 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HN )) ((segid A and resid 61 and name HZ )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HB )) ((segid A and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HB )) ((segid A and resid 65 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid A and resid 61 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid A and resid 61 and name HZ )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid A and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid A and resid 65 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG2# )) ((segid A and resid 61 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG2# )) ((segid A and resid 61 and name HZ )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HA )) ((segid A and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HA )) ((segid A and resid 65 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HB )) ((segid A and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HG2# )) ((segid A and resid 65 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HG2# )) ((segid A and resid 65 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HG2# )) ((segid A and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HG2# )) ((segid A and resid 65 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HG2# )) ((segid A and resid 68 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HG2# )) ((segid A and resid 69 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HN )) ((segid A and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HN )) ((segid A and resid 65 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HB# )) ((segid A and resid 69 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 51 and name HB# )) ((segid A and resid 73 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HA )) ((segid A and resid 69 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HB# )) ((segid A and resid 69 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HB# )) ((segid A and resid 69 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HD1 )) ((segid A and resid 69 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HD2 )) ((segid A and resid 69 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HD# )) ((segid A and resid 69 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HG# )) ((segid A and resid 69 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HG# )) ((segid A and resid 69 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 55 and name HA )) ((segid A and resid 69 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 55 and name HB# )) ((segid A and resid 69 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 55 and name HG# )) ((segid A and resid 69 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 55 and name HG# )) ((segid A and resid 69 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 55 and name HG# )) ((segid A and resid 70 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 55 and name HN )) ((segid A and resid 69 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 58 and name HB# )) ((segid A and resid 65 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 58 and name HB# )) ((segid A and resid 66 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 58 and name HB# )) ((segid A and resid 69 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 58 and name HB# )) ((segid A and resid 69 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 58 and name HB# )) ((segid A and resid 69 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HE# )) ((segid A and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 62 and name HB# )) ((segid A and resid 65 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 62 and name HB# )) ((segid A and resid 66 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 5 and name HA )) ((segid A and resid 7 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 5 and name HB# )) ((segid A and resid 7 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 6 and name HB# )) ((segid A and resid 7 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 6 and name HB# )) ((segid A and resid 7 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 6 and name HD# )) ((segid A and resid 7 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 6 and name HE# )) ((segid A and resid 7 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HB1 )) ((segid A and resid 12 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HB2 )) ((segid A and resid 12 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HB# )) ((segid A and resid 11 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HD# )) ((segid A and resid 11 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HD# )) ((segid A and resid 12 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HE# )) ((segid A and resid 12 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 8 and name HA )) ((segid A and resid 11 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 8 and name HA )) ((segid A and resid 9 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 8 and name HB# )) ((segid A and resid 10 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 8 and name HB# )) ((segid A and resid 11 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 8 and name HN )) ((segid A and resid 11 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 8 and name HN )) ((segid A and resid 11 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 8 and name HN )) ((segid A and resid 11 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 8 and name HN )) ((segid A and resid 12 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 9 and name HA )) ((segid A and resid 11 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 9 and name HA )) ((segid A and resid 12 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 9 and name HA )) ((segid A and resid 12 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 9 and name HA )) ((segid A and resid 12 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 9 and name HA )) ((segid A and resid 12 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 9 and name HA )) ((segid A and resid 13 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 9 and name HN )) ((segid A and resid 10 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 9 and name HN )) ((segid A and resid 11 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 10 and name HA )) ((segid A and resid 13 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 10 and name HA )) ((segid A and resid 13 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 10 and name HA )) ((segid A and resid 13 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 10 and name HG2# )) ((segid A and resid 14 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 10 and name HN )) ((segid A and resid 11 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 10 and name HN )) ((segid A and resid 11 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 10 and name HN )) ((segid A and resid 13 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 11 and name HA )) ((segid A and resid 14 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 11 and name HG# )) ((segid A and resid 15 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 11 and name HN )) ((segid A and resid 12 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 11 and name HN )) ((segid A and resid 13 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HA )) ((segid A and resid 14 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HA )) ((segid A and resid 15 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HA )) ((segid A and resid 15 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HA )) ((segid A and resid 15 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HA )) ((segid A and resid 15 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HA )) ((segid A and resid 16 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HG1# )) ((segid A and resid 15 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HG1# )) ((segid A and resid 16 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HG1# )) ((segid A and resid 16 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HG1# )) ((segid A and resid 16 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HG2# )) ((segid A and resid 16 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HN )) ((segid A and resid 13 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 12 and name HN )) ((segid A and resid 14 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HN )) ((segid A and resid 15 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 13 and name HA )) ((segid A and resid 16 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 13 and name HA )) ((segid A and resid 16 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 13 and name HA )) ((segid A and resid 16 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 13 and name HA )) ((segid A and resid 17 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 13 and name HB# )) ((segid A and resid 15 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 13 and name HG# )) ((segid A and resid 16 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 13 and name HN )) ((segid A and resid 14 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 13 and name HN )) ((segid A and resid 15 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 14 and name HA )) ((segid A and resid 17 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 14 and name HA )) ((segid A and resid 17 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 14 and name HA )) ((segid A and resid 18 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 14 and name HB# )) ((segid A and resid 17 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 14 and name HN )) ((segid A and resid 15 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 14 and name HN )) ((segid A and resid 17 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HA )) ((segid A and resid 17 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HA )) ((segid A and resid 18 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HA )) ((segid A and resid 18 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HA )) ((segid A and resid 19 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HB# )) ((segid A and resid 19 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HN )) ((segid A and resid 16 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HN )) ((segid A and resid 16 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HN )) ((segid A and resid 16 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 15 and name HN )) ((segid A and resid 17 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HA )) ((segid A and resid 18 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HA )) ((segid A and resid 19 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HA )) ((segid A and resid 19 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HA )) ((segid A and resid 19 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HA )) ((segid A and resid 19 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HA )) ((segid A and resid 20 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HG2# )) ((segid A and resid 20 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HG2# )) ((segid A and resid 20 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HG2# )) ((segid A and resid 20 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HN )) ((segid A and resid 18 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 17 and name HA )) ((segid A and resid 20 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 17 and name HA )) ((segid A and resid 20 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 17 and name HA )) ((segid A and resid 20 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 17 and name HN )) ((segid A and resid 18 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 17 and name HN )) ((segid A and resid 18 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 18 and name HA )) ((segid A and resid 21 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 18 and name HA )) ((segid A and resid 21 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 18 and name HA )) ((segid A and resid 21 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 18 and name HA )) ((segid A and resid 22 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 18 and name HN )) ((segid A and resid 19 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 18 and name HN )) ((segid A and resid 19 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 18 and name HN )) ((segid A and resid 20 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HA )) ((segid A and resid 21 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HA )) ((segid A and resid 22 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HA )) ((segid A and resid 22 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HA )) ((segid A and resid 22 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HN )) ((segid A and resid 20 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 19 and name HN )) ((segid A and resid 21 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HN )) ((segid A and resid 22 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HA )) ((segid A and resid 23 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HA )) ((segid A and resid 23 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HN )) ((segid A and resid 21 and name HG## )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HN )) ((segid A and resid 21 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 20 and name HN )) ((segid A and resid 22 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 21 and name HA )) ((segid A and resid 24 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 21 and name HA )) ((segid A and resid 24 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 21 and name HA )) ((segid A and resid 24 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 21 and name HA )) ((segid A and resid 25 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 21 and name HG1# )) ((segid A and resid 24 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 21 and name HG1# )) ((segid A and resid 25 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 21 and name HG1# )) ((segid A and resid 25 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 21 and name HG1# )) ((segid A and resid 25 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 21 and name HG1# )) ((segid A and resid 25 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 21 and name HG2# )) ((segid A and resid 24 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 21 and name HG## )) ((segid A and resid 25 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 21 and name HN )) ((segid A and resid 22 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 21 and name HN )) ((segid A and resid 22 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 22 and name HA )) ((segid A and resid 25 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 22 and name HA )) ((segid A and resid 25 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 22 and name HA )) ((segid A and resid 25 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 22 and name HA )) ((segid A and resid 26 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 22 and name HG1# )) ((segid A and resid 25 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 22 and name HG1# )) ((segid A and resid 26 and name HD2 )) 1.80 0.00 3.20
assign ((segid A and resid 22 and name HG2# )) ((segid A and resid 25 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 22 and name HG2# )) ((segid A and resid 25 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 22 and name HN )) ((segid A and resid 23 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 22 and name HN )) ((segid A and resid 23 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 22 and name HN )) ((segid A and resid 24 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HA )) ((segid A and resid 25 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HA )) ((segid A and resid 26 and name HD2 )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HA )) ((segid A and resid 26 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HA )) ((segid A and resid 27 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HA )) ((segid A and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HB1 )) ((segid A and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HB2 )) ((segid A and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HB# )) ((segid A and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HB# )) ((segid A and resid 28 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HD1# )) ((segid A and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HD1# )) ((segid A and resid 33 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HD1# )) ((segid A and resid 33 and name HB1 )) 1.80 0.00 3.20
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assign ((segid A and resid 23 and name HD1# )) ((segid A and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HD1# )) ((segid A and resid 37 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HD1# )) ((segid A and resid 37 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HD2# )) ((segid A and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HD2# )) ((segid A and resid 28 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HD2# )) ((segid A and resid 33 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HD2# )) ((segid A and resid 33 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HD2# )) ((segid A and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HN )) ((segid A and resid 24 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 23 and name HN )) ((segid A and resid 25 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 24 and name HA )) ((segid A and resid 26 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 24 and name HA )) ((segid A and resid 28 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 24 and name HB# )) ((segid A and resid 26 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 24 and name HN )) ((segid A and resid 25 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 24 and name HN )) ((segid A and resid 26 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 25 and name HA )) ((segid A and resid 27 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 25 and name HB# )) ((segid A and resid 26 and name HD2 )) 1.80 0.00 3.20
assign ((segid A and resid 25 and name HB# )) ((segid A and resid 27 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 25 and name HN )) ((segid A and resid 26 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 25 and name HN )) ((segid A and resid 27 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 26 and name HB1 )) ((segid A and resid 28 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 26 and name HB2 )) ((segid A and resid 28 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 26 and name HB# )) ((segid A and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 26 and name HN )) ((segid A and resid 27 and name HN )) 1.80 0.00 1.10
assign ((segid A and resid 26 and name HN )) ((segid A and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 26 and name HN )) ((segid A and resid 28 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 27 and name HA )) ((segid A and resid 28 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 27 and name HN )) ((segid A and resid 28 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 28 and name HA )) ((segid A and resid 29 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 28 and name HA )) ((segid A and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 28 and name HB# )) ((segid A and resid 29 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 28 and name HB# )) ((segid A and resid 32 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 28 and name HB# )) ((segid A and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 28 and name HB# )) ((segid A and resid 32 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 28 and name HB# )) ((segid A and resid 33 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 28 and name HB# )) ((segid A and resid 33 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 28 and name HN )) ((segid A and resid 29 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HB1 )) ((segid A and resid 30 and name HN )) 1.80 0.00 2.20
assign ((segid A and resid 29 and name HB1 )) ((segid A and resid 31 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HB2 )) ((segid A and resid 30 and name HN )) 1.80 0.00 2.20
assign ((segid A and resid 29 and name HB2 )) ((segid A and resid 31 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HB# )) ((segid A and resid 32 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HD1 )) ((segid A and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HD2 )) ((segid A and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HD# )) ((segid A and resid 32 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HD# )) ((segid A and resid 32 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HG# )) ((segid A and resid 32 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HG# )) ((segid A and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HA )) ((segid A and resid 33 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HA )) ((segid A and resid 34 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HG2# )) ((segid A and resid 34 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HG2# )) ((segid A and resid 34 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HG2# )) ((segid A and resid 34 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HG2# )) ((segid A and resid 34 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HN )) ((segid A and resid 33 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 31 and name HA )) ((segid A and resid 34 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 31 and name HA )) ((segid A and resid 34 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 31 and name HA )) ((segid A and resid 34 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 31 and name HA )) ((segid A and resid 35 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 31 and name HB# )) ((segid A and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 31 and name HN )) ((segid A and resid 32 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 31 and name HN )) ((segid A and resid 33 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HA )) ((segid A and resid 35 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HA )) ((segid A and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HA )) ((segid A and resid 35 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HA )) ((segid A and resid 36 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HD1# )) ((segid A and resid 35 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HD1# )) ((segid A and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HD1# )) ((segid A and resid 35 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HD1# )) ((segid A and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HD1# )) ((segid A and resid 36 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HN )) ((segid A and resid 33 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 32 and name HN )) ((segid A and resid 34 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HN )) ((segid A and resid 35 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 33 and name HA )) ((segid A and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 33 and name HA )) ((segid A and resid 36 and name HN )) 1.80 0.00 3.20
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assign ((segid A and resid 33 and name HN )) ((segid A and resid 34 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 33 and name HN )) ((segid A and resid 34 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 33 and name HN )) ((segid A and resid 35 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 33 and name HN )) ((segid A and resid 36 and name HN )) 1.80 0.00 3.20
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assign ((segid A and resid 34 and name HA )) ((segid A and resid 37 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HA )) ((segid A and resid 38 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HD2# )) ((segid A and resid 37 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HD2# )) ((segid A and resid 37 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HN )) ((segid A and resid 35 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 34 and name HN )) ((segid A and resid 36 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HN )) ((segid A and resid 37 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HN )) ((segid A and resid 37 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 35 and name HA )) ((segid A and resid 38 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 35 and name HA )) ((segid A and resid 39 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 35 and name HB# )) ((segid A and resid 39 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 35 and name HG# )) ((segid A and resid 39 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 35 and name HN )) ((segid A and resid 36 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 35 and name HN )) ((segid A and resid 37 and name HN )) 1.80 0.00 3.20
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assign ((segid A and resid 36 and name HA )) ((segid A and resid 39 and name HN )) 1.80 0.00 3.20
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assign ((segid A and resid 36 and name HB# )) ((segid A and resid 39 and name HN )) 1.80 0.00 3.20
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assign ((segid A and resid 37 and name HA )) ((segid A and resid 40 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 37 and name HA )) ((segid A and resid 41 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 37 and name HB# )) ((segid A and resid 41 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 37 and name HD1# )) ((segid A and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 37 and name HN )) ((segid A and resid 38 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 37 and name HN )) ((segid A and resid 39 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 37 and name HN )) ((segid A and resid 40 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HA1 )) ((segid A and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HA2 )) ((segid A and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HA# )) ((segid A and resid 40 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HA# )) ((segid A and resid 41 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HA# )) ((segid A and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HA# )) ((segid A and resid 41 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HN )) ((segid A and resid 39 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HN )) ((segid A and resid 39 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 38 and name HN )) ((segid A and resid 40 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HN )) ((segid A and resid 41 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 39 and name HA )) ((segid A and resid 42 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 39 and name HA )) ((segid A and resid 42 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 39 and name HA )) ((segid A and resid 42 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 39 and name HA )) ((segid A and resid 43 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 39 and name HB# )) ((segid A and resid 42 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 39 and name HB# )) ((segid A and resid 43 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 39 and name HN )) ((segid A and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 39 and name HN )) ((segid A and resid 40 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 39 and name HN )) ((segid A and resid 41 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 40 and name HA )) ((segid A and resid 42 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 40 and name HA )) ((segid A and resid 43 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 40 and name HA )) ((segid A and resid 43 and name HD2 )) 1.80 0.00 3.20
assign ((segid A and resid 40 and name HA )) ((segid A and resid 43 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 40 and name HB# )) ((segid A and resid 43 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 40 and name HN )) ((segid A and resid 41 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 40 and name HN )) ((segid A and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 40 and name HN )) ((segid A and resid 41 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 40 and name HN )) ((segid A and resid 42 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HA )) ((segid A and resid 44 and name HB1 )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HA )) ((segid A and resid 44 and name HB2 )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HA )) ((segid A and resid 44 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HA )) ((segid A and resid 44 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HA )) ((segid A and resid 44 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HA )) ((segid A and resid 45 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid A and resid 42 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid A and resid 42 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid A and resid 45 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid A and resid 45 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid A and resid 45 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid A and resid 45 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid A and resid 45 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid A and resid 61 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid A and resid 61 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid A and resid 61 and name HZ )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid A and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid A and resid 65 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG2# )) ((segid A and resid 61 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG2# )) ((segid A and resid 61 and name HZ )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HN )) ((segid A and resid 42 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 41 and name HN )) ((segid A and resid 43 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HA )) ((segid A and resid 45 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HA )) ((segid A and resid 45 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HA )) ((segid A and resid 45 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HA )) ((segid A and resid 46 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HG2# )) ((segid A and resid 46 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HG2# )) ((segid A and resid 46 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 43 and name HA )) ((segid A and resid 46 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 43 and name HA )) ((segid A and resid 47 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 43 and name HB# )) ((segid A and resid 44 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 43 and name HD2 )) ((segid A and resid 44 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 43 and name HD2 )) ((segid A and resid 44 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 43 and name HN )) ((segid A and resid 44 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 44 and name HA )) ((segid A and resid 47 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 44 and name HA )) ((segid A and resid 47 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 44 and name HA )) ((segid A and resid 48 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 44 and name HN )) ((segid A and resid 45 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 45 and name HA )) ((segid A and resid 48 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HA )) ((segid A and resid 49 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HA )) ((segid A and resid 49 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HA )) ((segid A and resid 54 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD1# )) ((segid A and resid 57 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD1# )) ((segid A and resid 57 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD1# )) ((segid A and resid 58 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD2# )) ((segid A and resid 49 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD2# )) ((segid A and resid 49 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD2# )) ((segid A and resid 49 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD2# )) ((segid A and resid 49 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD2# )) ((segid A and resid 54 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD2# )) ((segid A and resid 54 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD2# )) ((segid A and resid 54 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD2# )) ((segid A and resid 54 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD2# )) ((segid A and resid 54 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD2# )) ((segid A and resid 57 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD2# )) ((segid A and resid 57 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD2# )) ((segid A and resid 58 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD2# )) ((segid A and resid 58 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HN )) ((segid A and resid 46 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 46 and name HA )) ((segid A and resid 49 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 46 and name HA )) ((segid A and resid 54 and name HD1 )) 1.80 0.00 3.20
assign ((segid A and resid 46 and name HA )) ((segid A and resid 54 and name HD2 )) 1.80 0.00 3.20
assign ((segid A and resid 46 and name HA )) ((segid A and resid 54 and name HE )) 1.80 0.00 3.20
assign ((segid A and resid 46 and name HG# )) ((segid A and resid 54 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 46 and name HG# )) ((segid A and resid 54 and name HE )) 1.80 0.00 3.20
assign ((segid A and resid 46 and name HG# )) ((segid A and resid 54 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 46 and name HN )) ((segid A and resid 47 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 47 and name HA )) ((segid A and resid 49 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 47 and name HN )) ((segid A and resid 48 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 48 and name HN )) ((segid A and resid 49 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 48 and name HN )) ((segid A and resid 49 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 48 and name HN )) ((segid A and resid 49 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 49 and name HB )) ((segid A and resid 54 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HB )) ((segid A and resid 54 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HG1# )) ((segid A and resid 50 and name HD1 )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HG1# )) ((segid A and resid 50 and name HD2 )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HG1# )) ((segid A and resid 53 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HG1# )) ((segid A and resid 53 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HG1# )) ((segid A and resid 54 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HG1# )) ((segid A and resid 54 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HG1# )) ((segid A and resid 54 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HG1# )) ((segid A and resid 54 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HG1# )) ((segid A and resid 57 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HG2# )) ((segid A and resid 50 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HG2# )) ((segid A and resid 54 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HN )) ((segid A and resid 50 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HN )) ((segid A and resid 54 and name HE )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HA )) ((segid A and resid 51 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 50 and name HA )) ((segid A and resid 52 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HB1 )) ((segid A and resid 52 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HB# )) ((segid A and resid 53 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HB2 )) ((segid A and resid 52 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HB# )) ((segid A and resid 53 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HD1 )) ((segid A and resid 53 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HD2 )) ((segid A and resid 53 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HG# )) ((segid A and resid 53 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 51 and name HA )) ((segid A and resid 53 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 51 and name HA )) ((segid A and resid 54 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 51 and name HA )) ((segid A and resid 54 and name HE )) 1.80 0.00 3.20
assign ((segid A and resid 51 and name HA )) ((segid A and resid 54 and name HH## )) 1.80 0.00 3.20
assign ((segid A and resid 51 and name HA )) ((segid A and resid 54 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 51 and name HB# )) ((segid A and resid 53 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 51 and name HB# )) ((segid A and resid 54 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 51 and name HB# )) ((segid A and resid 54 and name HE )) 1.80 0.00 3.20
assign ((segid A and resid 51 and name HB# )) ((segid A and resid 54 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 51 and name HN )) ((segid A and resid 52 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 51 and name HN )) ((segid A and resid 53 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 51 and name HN )) ((segid A and resid 54 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 51 and name HN )) ((segid A and resid 54 and name HE )) 1.80 0.00 3.20
assign ((segid A and resid 51 and name HN )) ((segid A and resid 54 and name HH## )) 1.80 0.00 3.20
assign ((segid A and resid 52 and name HA )) ((segid A and resid 54 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 52 and name HA )) ((segid A and resid 55 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 52 and name HN )) ((segid A and resid 53 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 52 and name HN )) ((segid A and resid 54 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 53 and name HA )) ((segid A and resid 56 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 53 and name HA )) ((segid A and resid 56 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 53 and name HA )) ((segid A and resid 57 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 53 and name HA )) ((segid A and resid 57 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 53 and name HB# )) ((segid A and resid 56 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 53 and name HB# )) ((segid A and resid 57 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 53 and name HB# )) ((segid A and resid 57 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 53 and name HN )) ((segid A and resid 54 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 53 and name HN )) ((segid A and resid 54 and name HN )) 1.80 0.00 1.10
assign ((segid A and resid 53 and name HN )) ((segid A and resid 55 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HA )) ((segid A and resid 56 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HA )) ((segid A and resid 57 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HA )) ((segid A and resid 57 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HA )) ((segid A and resid 57 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HA )) ((segid A and resid 58 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HN )) ((segid A and resid 55 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 54 and name HN )) ((segid A and resid 56 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 55 and name HA )) ((segid A and resid 58 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 55 and name HA )) ((segid A and resid 58 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 55 and name HG# )) ((segid A and resid 58 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 55 and name HN )) ((segid A and resid 56 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 55 and name HN )) ((segid A and resid 56 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 55 and name HN )) ((segid A and resid 57 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 56 and name HA )) ((segid A and resid 58 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 56 and name HA )) ((segid A and resid 59 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 56 and name HA )) ((segid A and resid 59 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 56 and name HA )) ((segid A and resid 60 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 56 and name HB# )) ((segid A and resid 57 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 56 and name HB# )) ((segid A and resid 59 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 56 and name HB# )) ((segid A and resid 59 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 56 and name HB# )) ((segid A and resid 60 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 56 and name HB# )) ((segid A and resid 60 and name HE2# )) 1.80 0.00 3.20
assign ((segid A and resid 56 and name HN )) ((segid A and resid 57 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 57 and name HA )) ((segid A and resid 59 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HA )) ((segid A and resid 60 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HA )) ((segid A and resid 60 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HA )) ((segid A and resid 60 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HA )) ((segid A and resid 61 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HG1# )) ((segid A and resid 58 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HG1# )) ((segid A and resid 60 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HG1# )) ((segid A and resid 61 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HN )) ((segid A and resid 58 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 57 and name HN )) ((segid A and resid 59 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 58 and name HA )) ((segid A and resid 61 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 58 and name HA )) ((segid A and resid 61 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 58 and name HA )) ((segid A and resid 62 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 58 and name HB# )) ((segid A and resid 60 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 58 and name HB# )) ((segid A and resid 61 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 58 and name HB# )) ((segid A and resid 62 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 58 and name HB# )) ((segid A and resid 62 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 58 and name HN )) ((segid A and resid 59 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 58 and name HN )) ((segid A and resid 59 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 59 and name HA )) ((segid A and resid 62 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 59 and name HA )) ((segid A and resid 62 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 59 and name HA )) ((segid A and resid 63 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 59 and name HB# )) ((segid A and resid 62 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 59 and name HB# )) ((segid A and resid 63 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 59 and name HG# )) ((segid A and resid 62 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 59 and name HN )) ((segid A and resid 60 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 59 and name HN )) ((segid A and resid 61 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HA )) ((segid A and resid 62 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HA )) ((segid A and resid 63 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HA )) ((segid A and resid 63 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HA )) ((segid A and resid 64 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HB# )) ((segid A and resid 62 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HB# )) ((segid A and resid 63 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HN )) ((segid A and resid 61 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HN )) ((segid A and resid 62 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HA )) ((segid A and resid 64 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HA )) ((segid A and resid 64 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HA )) ((segid A and resid 65 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HD# )) ((segid A and resid 65 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HD# )) ((segid A and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HE# )) ((segid A and resid 64 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HE# )) ((segid A and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HN )) ((segid A and resid 62 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HN )) ((segid A and resid 62 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 61 and name HN )) ((segid A and resid 64 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HZ )) ((segid A and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 62 and name HA )) ((segid A and resid 65 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 62 and name HA )) ((segid A and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 62 and name HA )) ((segid A and resid 65 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 62 and name HA )) ((segid A and resid 65 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 62 and name HA )) ((segid A and resid 66 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 62 and name HB# )) ((segid A and resid 65 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 62 and name HB# )) ((segid A and resid 65 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 62 and name HN )) ((segid A and resid 63 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 62 and name HN )) ((segid A and resid 64 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 63 and name HA )) ((segid A and resid 66 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 63 and name HA )) ((segid A and resid 66 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 63 and name HA )) ((segid A and resid 67 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 63 and name HN )) ((segid A and resid 64 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 63 and name HN )) ((segid A and resid 64 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 63 and name HN )) ((segid A and resid 65 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 64 and name HA )) ((segid A and resid 67 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 64 and name HA )) ((segid A and resid 67 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 64 and name HA )) ((segid A and resid 68 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 64 and name HN )) ((segid A and resid 65 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 65 and name HA )) ((segid A and resid 68 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 65 and name HB# )) ((segid A and resid 68 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 65 and name HD1# )) ((segid A and resid 69 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 65 and name HN )) ((segid A and resid 66 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 65 and name HN )) ((segid A and resid 67 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 66 and name HA )) ((segid A and resid 69 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 66 and name HA )) ((segid A and resid 69 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 66 and name HA )) ((segid A and resid 69 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 66 and name HA )) ((segid A and resid 70 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 66 and name HB# )) ((segid A and resid 69 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 66 and name HB# )) ((segid A and resid 70 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 66 and name HN )) ((segid A and resid 68 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 67 and name HA )) ((segid A and resid 70 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 67 and name HA )) ((segid A and resid 70 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 67 and name HN )) ((segid A and resid 69 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 68 and name HA )) ((segid A and resid 70 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 68 and name HN )) ((segid A and resid 69 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 68 and name HN )) ((segid A and resid 69 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 68 and name HN )) ((segid A and resid 69 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 68 and name HN )) ((segid A and resid 70 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 69 and name HA )) ((segid A and resid 72 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 69 and name HA )) ((segid A and resid 72 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 69 and name HN )) ((segid A and resid 70 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 69 and name HN )) ((segid A and resid 71 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 70 and name HA )) ((segid A and resid 73 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 70 and name HA )) ((segid A and resid 73 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 71 and name HA )) ((segid A and resid 74 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 71 and name HN )) ((segid A and resid 72 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 72 and name HN )) ((segid A and resid 73 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 5 and name HA )) ((segid B and resid 7 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 5 and name HB# )) ((segid B and resid 7 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 6 and name HB# )) ((segid B and resid 7 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 6 and name HB# )) ((segid B and resid 7 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 6 and name HD# )) ((segid B and resid 7 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 6 and name HE# )) ((segid B and resid 7 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HB1 )) ((segid B and resid 12 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HB2 )) ((segid B and resid 12 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HB# )) ((segid B and resid 11 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HD# )) ((segid B and resid 11 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HD# )) ((segid B and resid 12 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HE# )) ((segid B and resid 12 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 8 and name HA )) ((segid B and resid 11 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 8 and name HA )) ((segid B and resid 9 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 8 and name HB# )) ((segid B and resid 10 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 8 and name HB# )) ((segid B and resid 11 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 8 and name HN )) ((segid B and resid 11 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 8 and name HN )) ((segid B and resid 11 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 8 and name HN )) ((segid B and resid 11 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 8 and name HN )) ((segid B and resid 12 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 9 and name HA )) ((segid B and resid 11 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 9 and name HA )) ((segid B and resid 12 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 9 and name HA )) ((segid B and resid 12 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 9 and name HA )) ((segid B and resid 12 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 9 and name HA )) ((segid B and resid 12 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 9 and name HA )) ((segid B and resid 13 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 9 and name HN )) ((segid B and resid 10 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 9 and name HN )) ((segid B and resid 11 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 10 and name HA )) ((segid B and resid 13 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 10 and name HA )) ((segid B and resid 13 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 10 and name HA )) ((segid B and resid 13 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 10 and name HG2# )) ((segid B and resid 14 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 10 and name HN )) ((segid B and resid 11 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 10 and name HN )) ((segid B and resid 11 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 10 and name HN )) ((segid B and resid 13 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 11 and name HA )) ((segid B and resid 14 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 11 and name HG# )) ((segid B and resid 15 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 11 and name HN )) ((segid B and resid 12 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 11 and name HN )) ((segid B and resid 13 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HA )) ((segid B and resid 14 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HA )) ((segid B and resid 15 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HA )) ((segid B and resid 15 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HA )) ((segid B and resid 15 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HA )) ((segid B and resid 15 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HA )) ((segid B and resid 16 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HG1# )) ((segid B and resid 15 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HG1# )) ((segid B and resid 16 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HG1# )) ((segid B and resid 16 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HG1# )) ((segid B and resid 16 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HG2# )) ((segid B and resid 16 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HN )) ((segid B and resid 13 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 12 and name HN )) ((segid B and resid 14 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HN )) ((segid B and resid 15 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 13 and name HA )) ((segid B and resid 16 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 13 and name HA )) ((segid B and resid 16 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 13 and name HA )) ((segid B and resid 16 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 13 and name HA )) ((segid B and resid 17 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 13 and name HB# )) ((segid B and resid 15 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 13 and name HG# )) ((segid B and resid 16 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 13 and name HN )) ((segid B and resid 14 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 13 and name HN )) ((segid B and resid 15 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 14 and name HA )) ((segid B and resid 17 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 14 and name HA )) ((segid B and resid 17 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 14 and name HA )) ((segid B and resid 18 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 14 and name HB# )) ((segid B and resid 17 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 14 and name HN )) ((segid B and resid 15 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 14 and name HN )) ((segid B and resid 17 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HA )) ((segid B and resid 17 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HA )) ((segid B and resid 18 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HA )) ((segid B and resid 18 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HA )) ((segid B and resid 19 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HB# )) ((segid B and resid 19 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HN )) ((segid B and resid 16 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HN )) ((segid B and resid 16 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HN )) ((segid B and resid 16 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 15 and name HN )) ((segid B and resid 17 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HA )) ((segid B and resid 18 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HA )) ((segid B and resid 19 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HA )) ((segid B and resid 19 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HA )) ((segid B and resid 19 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HA )) ((segid B and resid 19 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HA )) ((segid B and resid 20 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HG2# )) ((segid B and resid 20 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HG2# )) ((segid B and resid 20 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HG2# )) ((segid B and resid 20 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HN )) ((segid B and resid 18 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 17 and name HA )) ((segid B and resid 20 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 17 and name HA )) ((segid B and resid 20 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 17 and name HA )) ((segid B and resid 20 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 17 and name HN )) ((segid B and resid 18 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 17 and name HN )) ((segid B and resid 18 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 18 and name HA )) ((segid B and resid 21 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 18 and name HA )) ((segid B and resid 21 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 18 and name HA )) ((segid B and resid 21 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 18 and name HA )) ((segid B and resid 22 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 18 and name HN )) ((segid B and resid 19 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 18 and name HN )) ((segid B and resid 19 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 18 and name HN )) ((segid B and resid 20 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HA )) ((segid B and resid 21 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HA )) ((segid B and resid 22 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HA )) ((segid B and resid 22 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HA )) ((segid B and resid 22 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HN )) ((segid B and resid 20 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 19 and name HN )) ((segid B and resid 21 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HN )) ((segid B and resid 22 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HA )) ((segid B and resid 23 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HA )) ((segid B and resid 23 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HN )) ((segid B and resid 21 and name HG## )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HN )) ((segid B and resid 21 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 20 and name HN )) ((segid B and resid 22 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 21 and name HA )) ((segid B and resid 24 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 21 and name HA )) ((segid B and resid 24 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 21 and name HA )) ((segid B and resid 24 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 21 and name HA )) ((segid B and resid 25 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 21 and name HG1# )) ((segid B and resid 24 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 21 and name HG1# )) ((segid B and resid 25 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 21 and name HG1# )) ((segid B and resid 25 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 21 and name HG1# )) ((segid B and resid 25 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 21 and name HG1# )) ((segid B and resid 25 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 21 and name HG2# )) ((segid B and resid 24 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 21 and name HG## )) ((segid B and resid 25 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 21 and name HN )) ((segid B and resid 22 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 21 and name HN )) ((segid B and resid 22 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 22 and name HA )) ((segid B and resid 25 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 22 and name HA )) ((segid B and resid 25 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 22 and name HA )) ((segid B and resid 25 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 22 and name HA )) ((segid B and resid 26 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 22 and name HG1# )) ((segid B and resid 25 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 22 and name HG1# )) ((segid B and resid 26 and name HD2 )) 1.80 0.00 3.20
assign ((segid B and resid 22 and name HG2# )) ((segid B and resid 25 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 22 and name HG2# )) ((segid B and resid 25 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 22 and name HN )) ((segid B and resid 23 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 22 and name HN )) ((segid B and resid 23 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 22 and name HN )) ((segid B and resid 24 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HA )) ((segid B and resid 25 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HA )) ((segid B and resid 26 and name HD2 )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HA )) ((segid B and resid 26 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HA )) ((segid B and resid 27 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HA )) ((segid B and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HB1 )) ((segid B and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HB2 )) ((segid B and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HB# )) ((segid B and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HB# )) ((segid B and resid 28 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HD1# )) ((segid B and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HD1# )) ((segid B and resid 33 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HD1# )) ((segid B and resid 33 and name HB1 )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HD1# )) ((segid B and resid 33 and name HB2 )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HD1# )) ((segid B and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HD1# )) ((segid B and resid 37 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HD1# )) ((segid B and resid 37 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HD2# )) ((segid B and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HD2# )) ((segid B and resid 28 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HD2# )) ((segid B and resid 33 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HD2# )) ((segid B and resid 33 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HD2# )) ((segid B and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HN )) ((segid B and resid 24 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 23 and name HN )) ((segid B and resid 25 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 24 and name HA )) ((segid B and resid 26 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 24 and name HA )) ((segid B and resid 28 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 24 and name HB# )) ((segid B and resid 26 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 24 and name HN )) ((segid B and resid 25 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 24 and name HN )) ((segid B and resid 26 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 25 and name HA )) ((segid B and resid 27 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 25 and name HB# )) ((segid B and resid 26 and name HD2 )) 1.80 0.00 3.20
assign ((segid B and resid 25 and name HB# )) ((segid B and resid 27 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 25 and name HN )) ((segid B and resid 26 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 25 and name HN )) ((segid B and resid 27 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 26 and name HB1 )) ((segid B and resid 28 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 26 and name HB2 )) ((segid B and resid 28 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 26 and name HB# )) ((segid B and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 26 and name HN )) ((segid B and resid 27 and name HN )) 1.80 0.00 1.10
assign ((segid B and resid 26 and name HN )) ((segid B and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 26 and name HN )) ((segid B and resid 28 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 27 and name HA )) ((segid B and resid 28 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 27 and name HN )) ((segid B and resid 28 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 28 and name HA )) ((segid B and resid 29 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 28 and name HA )) ((segid B and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 28 and name HB# )) ((segid B and resid 29 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 28 and name HB# )) ((segid B and resid 32 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 28 and name HB# )) ((segid B and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 28 and name HB# )) ((segid B and resid 32 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 28 and name HB# )) ((segid B and resid 33 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 28 and name HB# )) ((segid B and resid 33 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 28 and name HN )) ((segid B and resid 29 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HB1 )) ((segid B and resid 30 and name HN )) 1.80 0.00 2.20
assign ((segid B and resid 29 and name HB1 )) ((segid B and resid 31 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HB2 )) ((segid B and resid 30 and name HN )) 1.80 0.00 2.20
assign ((segid B and resid 29 and name HB2 )) ((segid B and resid 31 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HB# )) ((segid B and resid 32 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HD1 )) ((segid B and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HD2 )) ((segid B and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HD# )) ((segid B and resid 32 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HD# )) ((segid B and resid 32 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HG# )) ((segid B and resid 32 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HG# )) ((segid B and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HA )) ((segid B and resid 33 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HA )) ((segid B and resid 34 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HG2# )) ((segid B and resid 34 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HG2# )) ((segid B and resid 34 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HG2# )) ((segid B and resid 34 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HG2# )) ((segid B and resid 34 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HN )) ((segid B and resid 33 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 31 and name HA )) ((segid B and resid 34 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 31 and name HA )) ((segid B and resid 34 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 31 and name HA )) ((segid B and resid 34 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 31 and name HA )) ((segid B and resid 35 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 31 and name HB# )) ((segid B and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 31 and name HN )) ((segid B and resid 32 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 31 and name HN )) ((segid B and resid 33 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 32 and name HA )) ((segid B and resid 35 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 32 and name HA )) ((segid B and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 32 and name HA )) ((segid B and resid 35 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 32 and name HA )) ((segid B and resid 36 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 32 and name HD1# )) ((segid B and resid 35 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 32 and name HD1# )) ((segid B and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 32 and name HD1# )) ((segid B and resid 35 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 32 and name HD1# )) ((segid B and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 32 and name HD1# )) ((segid B and resid 36 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 32 and name HN )) ((segid B and resid 33 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 32 and name HN )) ((segid B and resid 34 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 32 and name HN )) ((segid B and resid 35 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HA )) ((segid B and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HA )) ((segid B and resid 36 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HB# )) ((segid B and resid 37 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HN )) ((segid B and resid 34 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HN )) ((segid B and resid 34 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HN )) ((segid B and resid 35 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HN )) ((segid B and resid 36 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HA )) ((segid B and resid 37 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HA )) ((segid B and resid 37 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HA )) ((segid B and resid 38 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD2# )) ((segid B and resid 37 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD2# )) ((segid B and resid 37 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HN )) ((segid B and resid 35 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 34 and name HN )) ((segid B and resid 36 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HN )) ((segid B and resid 37 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HN )) ((segid B and resid 37 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 35 and name HA )) ((segid B and resid 38 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 35 and name HA )) ((segid B and resid 39 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 35 and name HB# )) ((segid B and resid 39 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 35 and name HG# )) ((segid B and resid 39 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 35 and name HN )) ((segid B and resid 36 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 35 and name HN )) ((segid B and resid 37 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 36 and name HA )) ((segid B and resid 39 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 36 and name HA )) ((segid B and resid 39 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 36 and name HB# )) ((segid B and resid 39 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 36 and name HB# )) ((segid B and resid 39 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 37 and name HA )) ((segid B and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 37 and name HA )) ((segid B and resid 40 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 37 and name HA )) ((segid B and resid 41 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 37 and name HB# )) ((segid B and resid 41 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 37 and name HD1# )) ((segid B and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 37 and name HN )) ((segid B and resid 38 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 37 and name HN )) ((segid B and resid 39 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 37 and name HN )) ((segid B and resid 40 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HA1 )) ((segid B and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HA2 )) ((segid B and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HA# )) ((segid B and resid 40 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HA# )) ((segid B and resid 41 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HA# )) ((segid B and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HA# )) ((segid B and resid 41 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HN )) ((segid B and resid 39 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HN )) ((segid B and resid 39 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 38 and name HN )) ((segid B and resid 40 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HN )) ((segid B and resid 41 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 39 and name HA )) ((segid B and resid 42 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 39 and name HA )) ((segid B and resid 42 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 39 and name HA )) ((segid B and resid 42 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 39 and name HA )) ((segid B and resid 43 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 39 and name HB# )) ((segid B and resid 42 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 39 and name HB# )) ((segid B and resid 43 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 39 and name HN )) ((segid B and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 39 and name HN )) ((segid B and resid 40 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 39 and name HN )) ((segid B and resid 41 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 40 and name HA )) ((segid B and resid 42 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 40 and name HA )) ((segid B and resid 43 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 40 and name HA )) ((segid B and resid 43 and name HD2 )) 1.80 0.00 3.20
assign ((segid B and resid 40 and name HA )) ((segid B and resid 43 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 40 and name HB# )) ((segid B and resid 43 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 40 and name HN )) ((segid B and resid 41 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 40 and name HN )) ((segid B and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 40 and name HN )) ((segid B and resid 41 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 40 and name HN )) ((segid B and resid 42 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HA )) ((segid B and resid 44 and name HB1 )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HA )) ((segid B and resid 44 and name HB2 )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HA )) ((segid B and resid 44 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HA )) ((segid B and resid 44 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HA )) ((segid B and resid 44 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HA )) ((segid B and resid 45 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid B and resid 42 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid B and resid 42 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid B and resid 45 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid B and resid 45 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid B and resid 45 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid B and resid 45 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid B and resid 45 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid B and resid 61 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid B and resid 61 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid B and resid 61 and name HZ )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid B and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid B and resid 65 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG2# )) ((segid B and resid 61 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG2# )) ((segid B and resid 61 and name HZ )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HN )) ((segid B and resid 42 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 41 and name HN )) ((segid B and resid 43 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HA )) ((segid B and resid 45 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HA )) ((segid B and resid 45 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HA )) ((segid B and resid 45 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HA )) ((segid B and resid 46 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HG2# )) ((segid B and resid 46 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HG2# )) ((segid B and resid 46 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 43 and name HA )) ((segid B and resid 46 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 43 and name HA )) ((segid B and resid 47 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 43 and name HB# )) ((segid B and resid 44 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 43 and name HD2 )) ((segid B and resid 44 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 43 and name HD2 )) ((segid B and resid 44 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 43 and name HN )) ((segid B and resid 44 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 44 and name HA )) ((segid B and resid 47 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 44 and name HA )) ((segid B and resid 47 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 44 and name HA )) ((segid B and resid 48 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 44 and name HN )) ((segid B and resid 45 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 45 and name HA )) ((segid B and resid 48 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HA )) ((segid B and resid 49 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HA )) ((segid B and resid 49 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HA )) ((segid B and resid 54 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD1# )) ((segid B and resid 57 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD1# )) ((segid B and resid 57 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD1# )) ((segid B and resid 58 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD2# )) ((segid B and resid 49 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD2# )) ((segid B and resid 49 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD2# )) ((segid B and resid 49 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD2# )) ((segid B and resid 49 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD2# )) ((segid B and resid 54 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD2# )) ((segid B and resid 54 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD2# )) ((segid B and resid 54 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD2# )) ((segid B and resid 54 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD2# )) ((segid B and resid 54 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD2# )) ((segid B and resid 57 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD2# )) ((segid B and resid 57 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD2# )) ((segid B and resid 58 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD2# )) ((segid B and resid 58 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HN )) ((segid B and resid 46 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 46 and name HA )) ((segid B and resid 49 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 46 and name HA )) ((segid B and resid 54 and name HD1 )) 1.80 0.00 3.20
assign ((segid B and resid 46 and name HA )) ((segid B and resid 54 and name HD2 )) 1.80 0.00 3.20
assign ((segid B and resid 46 and name HA )) ((segid B and resid 54 and name HE )) 1.80 0.00 3.20
assign ((segid B and resid 46 and name HG# )) ((segid B and resid 54 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 46 and name HG# )) ((segid B and resid 54 and name HE )) 1.80 0.00 3.20
assign ((segid B and resid 46 and name HG# )) ((segid B and resid 54 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 46 and name HN )) ((segid B and resid 47 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 47 and name HA )) ((segid B and resid 49 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 47 and name HN )) ((segid B and resid 48 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 48 and name HN )) ((segid B and resid 49 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 48 and name HN )) ((segid B and resid 49 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 48 and name HN )) ((segid B and resid 49 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 49 and name HB )) ((segid B and resid 54 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HB )) ((segid B and resid 54 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HG1# )) ((segid B and resid 50 and name HD1 )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HG1# )) ((segid B and resid 50 and name HD2 )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HG1# )) ((segid B and resid 53 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HG1# )) ((segid B and resid 53 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HG1# )) ((segid B and resid 54 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HG1# )) ((segid B and resid 54 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HG1# )) ((segid B and resid 54 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HG1# )) ((segid B and resid 54 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HG1# )) ((segid B and resid 57 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HG2# )) ((segid B and resid 50 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HG2# )) ((segid B and resid 54 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HN )) ((segid B and resid 50 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HN )) ((segid B and resid 54 and name HE )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HA )) ((segid B and resid 51 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 50 and name HA )) ((segid B and resid 52 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HB1 )) ((segid B and resid 52 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HB# )) ((segid B and resid 53 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HB2 )) ((segid B and resid 52 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HB# )) ((segid B and resid 53 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HD1 )) ((segid B and resid 53 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HD2 )) ((segid B and resid 53 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HG# )) ((segid B and resid 53 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 51 and name HA )) ((segid B and resid 53 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 51 and name HA )) ((segid B and resid 54 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 51 and name HA )) ((segid B and resid 54 and name HE )) 1.80 0.00 3.20
assign ((segid B and resid 51 and name HA )) ((segid B and resid 54 and name HH## )) 1.80 0.00 3.20
assign ((segid B and resid 51 and name HA )) ((segid B and resid 54 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 51 and name HB# )) ((segid B and resid 53 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 51 and name HB# )) ((segid B and resid 54 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 51 and name HB# )) ((segid B and resid 54 and name HE )) 1.80 0.00 3.20
assign ((segid B and resid 51 and name HB# )) ((segid B and resid 54 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 51 and name HN )) ((segid B and resid 52 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 51 and name HN )) ((segid B and resid 53 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 51 and name HN )) ((segid B and resid 54 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 51 and name HN )) ((segid B and resid 54 and name HE )) 1.80 0.00 3.20
assign ((segid B and resid 51 and name HN )) ((segid B and resid 54 and name HH## )) 1.80 0.00 3.20
assign ((segid B and resid 52 and name HA )) ((segid B and resid 54 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 52 and name HA )) ((segid B and resid 55 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 52 and name HN )) ((segid B and resid 53 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 52 and name HN )) ((segid B and resid 54 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 53 and name HA )) ((segid B and resid 56 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 53 and name HA )) ((segid B and resid 56 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 53 and name HA )) ((segid B and resid 57 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 53 and name HA )) ((segid B and resid 57 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 53 and name HB# )) ((segid B and resid 56 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 53 and name HB# )) ((segid B and resid 57 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 53 and name HB# )) ((segid B and resid 57 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 53 and name HN )) ((segid B and resid 54 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 53 and name HN )) ((segid B and resid 54 and name HN )) 1.80 0.00 1.10
assign ((segid B and resid 53 and name HN )) ((segid B and resid 55 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HA )) ((segid B and resid 56 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HA )) ((segid B and resid 57 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HA )) ((segid B and resid 57 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HA )) ((segid B and resid 57 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HA )) ((segid B and resid 58 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HN )) ((segid B and resid 55 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 54 and name HN )) ((segid B and resid 56 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 55 and name HA )) ((segid B and resid 58 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 55 and name HA )) ((segid B and resid 58 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 55 and name HG# )) ((segid B and resid 58 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 55 and name HN )) ((segid B and resid 56 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 55 and name HN )) ((segid B and resid 56 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 55 and name HN )) ((segid B and resid 57 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 56 and name HA )) ((segid B and resid 58 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 56 and name HA )) ((segid B and resid 59 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 56 and name HA )) ((segid B and resid 59 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 56 and name HA )) ((segid B and resid 60 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 56 and name HB# )) ((segid B and resid 57 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 56 and name HB# )) ((segid B and resid 59 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 56 and name HB# )) ((segid B and resid 59 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 56 and name HB# )) ((segid B and resid 60 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 56 and name HB# )) ((segid B and resid 60 and name HE2# )) 1.80 0.00 3.20
assign ((segid B and resid 56 and name HN )) ((segid B and resid 57 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 57 and name HA )) ((segid B and resid 59 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HA )) ((segid B and resid 60 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HA )) ((segid B and resid 60 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HA )) ((segid B and resid 60 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HA )) ((segid B and resid 61 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HG1# )) ((segid B and resid 58 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HG1# )) ((segid B and resid 60 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HG1# )) ((segid B and resid 61 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HN )) ((segid B and resid 58 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 57 and name HN )) ((segid B and resid 59 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 58 and name HA )) ((segid B and resid 61 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 58 and name HA )) ((segid B and resid 61 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 58 and name HA )) ((segid B and resid 62 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 58 and name HB# )) ((segid B and resid 60 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 58 and name HB# )) ((segid B and resid 61 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 58 and name HB# )) ((segid B and resid 62 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 58 and name HB# )) ((segid B and resid 62 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 58 and name HN )) ((segid B and resid 59 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 58 and name HN )) ((segid B and resid 59 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 59 and name HA )) ((segid B and resid 62 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 59 and name HA )) ((segid B and resid 62 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 59 and name HA )) ((segid B and resid 63 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 59 and name HB# )) ((segid B and resid 62 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 59 and name HB# )) ((segid B and resid 63 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 59 and name HG# )) ((segid B and resid 62 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 59 and name HN )) ((segid B and resid 60 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 59 and name HN )) ((segid B and resid 61 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HA )) ((segid B and resid 62 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HA )) ((segid B and resid 63 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HA )) ((segid B and resid 63 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HA )) ((segid B and resid 64 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HB# )) ((segid B and resid 62 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HB# )) ((segid B and resid 63 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HN )) ((segid B and resid 61 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HN )) ((segid B and resid 62 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HA )) ((segid B and resid 64 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HA )) ((segid B and resid 64 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HA )) ((segid B and resid 65 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HD# )) ((segid B and resid 65 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HD# )) ((segid B and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HE# )) ((segid B and resid 64 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HE# )) ((segid B and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HN )) ((segid B and resid 62 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HN )) ((segid B and resid 62 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 61 and name HN )) ((segid B and resid 64 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HZ )) ((segid B and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 62 and name HA )) ((segid B and resid 65 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 62 and name HA )) ((segid B and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 62 and name HA )) ((segid B and resid 65 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 62 and name HA )) ((segid B and resid 65 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 62 and name HA )) ((segid B and resid 66 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 62 and name HB# )) ((segid B and resid 65 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 62 and name HB# )) ((segid B and resid 65 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 62 and name HN )) ((segid B and resid 63 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 62 and name HN )) ((segid B and resid 64 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 63 and name HA )) ((segid B and resid 66 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 63 and name HA )) ((segid B and resid 66 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 63 and name HA )) ((segid B and resid 67 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 63 and name HN )) ((segid B and resid 64 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 63 and name HN )) ((segid B and resid 64 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 63 and name HN )) ((segid B and resid 65 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 64 and name HA )) ((segid B and resid 67 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 64 and name HA )) ((segid B and resid 67 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 64 and name HA )) ((segid B and resid 68 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 64 and name HN )) ((segid B and resid 65 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 65 and name HA )) ((segid B and resid 68 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 65 and name HB# )) ((segid B and resid 68 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 65 and name HD1# )) ((segid B and resid 69 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 65 and name HN )) ((segid B and resid 66 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 65 and name HN )) ((segid B and resid 67 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 66 and name HA )) ((segid B and resid 69 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 66 and name HA )) ((segid B and resid 69 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 66 and name HA )) ((segid B and resid 69 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 66 and name HA )) ((segid B and resid 70 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 66 and name HB# )) ((segid B and resid 69 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 66 and name HB# )) ((segid B and resid 70 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 66 and name HN )) ((segid B and resid 68 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 67 and name HA )) ((segid B and resid 70 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 67 and name HA )) ((segid B and resid 70 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 67 and name HN )) ((segid B and resid 69 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 68 and name HA )) ((segid B and resid 70 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 68 and name HN )) ((segid B and resid 69 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 68 and name HN )) ((segid B and resid 69 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 68 and name HN )) ((segid B and resid 69 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 68 and name HN )) ((segid B and resid 70 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 69 and name HA )) ((segid B and resid 72 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 69 and name HA )) ((segid B and resid 72 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 69 and name HN )) ((segid B and resid 70 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 69 and name HN )) ((segid B and resid 71 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 70 and name HA )) ((segid B and resid 73 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 70 and name HA )) ((segid B and resid 73 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 71 and name HA )) ((segid B and resid 74 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 71 and name HN )) ((segid B and resid 72 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 72 and name HN )) ((segid B and resid 73 and name HB# )) 1.80 0.00 3.20
list of removed NOE constraints
484-> ALA A 28 HA - PRO A 29 HD1 1.80 5.00 # NoRestrctn S [2.00 3.95] -- sequential
485-> ALA A 28 HA - PRO A 29 HD2 1.80 5.00 # NoRestrctn S [2.00 3.95] -- sequential
662-> ARG A 47 HN - LYS A 48 HA 1.80 5.00 # NoRestrctn S [2.00 3.99] -- sequential
1011-> ALA B 28 HA - PRO B 29 HD1 1.80 5.00 # NoRestrctn S [2.00 3.95] -- sequential
1012-> ALA B 28 HA - PRO B 29 HD2 1.80 5.00 # NoRestrctn S [2.00 3.95] -- sequential
1189-> ARG B 47 HN - LYS B 48 HA 1.80 5.00 # NoRestrctn S [2.00 3.99] -- sequential
====== TOTAL ======: 6
table of distance constraints violations
Residual Violations greater than 0.10
1-> TYR A 7 HB3 - LEU B 32 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 - 1 [ 0.33 .. 0.33]
2-> TYR A 7 HB2 - LEU B 32 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 - 1 [ 0.59 .. 0.59]
3-> TYR A 7 HD* - LEU B 32 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 - 1 [ 1.16 .. 1.16]
4-> TYR A 7 HD* - LEU B 32 HD2* [ 1.80 5.00] 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 0.03 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.03 .. 0.58]
5-> TYR A 7 HD* - MET B 35 HE* [ 1.80 5.00] 2.75 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 2.96 1.25 2.11 0.00 3.20 0.00 2.20 0.00 0.38 0.00 1.67 - 9 [ 0.38 .. 3.20]
6-> TYR A 7 HE* - PRO B 29 HG* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4.94 0.00 1.14 0.00 0.00 0.00 - 3 [ 1.14 .. 4.94]
7-> TYR A 7 HE* - ASP B 31 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 3.52 1.82 1.93 0.00 0.00 0.00 4.18 - 5 [ 1.82 .. 4.18]
8-> TYR A 7 HE* - LEU B 32 HA [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 2.24 0.00 0.00 3.24 0.94 2.41 0.00 0.00 0.00 4.08 - 6 [ 0.81 .. 4.08]
9-> TYR A 7 HE* - LEU B 32 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.17 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.46 1.83 0.00 0.00 0.00 0.00 1.02 - 5 [ 0.17 .. 1.83]
10-> TYR A 7 HE* - LEU B 32 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.32 0.00 0.00 1.18 0.00 0.10 0.00 0.00 0.00 2.58 - 5 [ 0.10 .. 2.58]
11-> TYR A 7 HE* - LEU B 32 HD2* [ 1.80 5.00] 0.00 0.35 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.46 0.00 0.00 0.37 - 5 [ 0.35 .. 2.05]
12-> TYR A 7 HE* - LEU B 32 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 1.44 0.00 0.00 2.57 3.24 1.51 0.00 0.00 0.00 3.34 - 6 [ 0.16 .. 3.34]
13-> TYR A 7 HE* - MET B 35 HE* [ 1.80 5.00] 1.14 0.00 0.00 0.64 1.98 0.00 0.00 0.00 0.00 1.59 2.11 1.41 0.00 4.42 0.00 3.85 0.00 1.50 0.00 2.94 - 10 [ 0.64 .. 4.42]
14-> GLN A 11 HB* - LEU B 32 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.55 0.36 0.00 0.88 0.00 0.00 0.00 0.00 0.00 2.47 - 5 [ 0.28 .. 2.47]
15-> GLN A 11 HB* - LEU B 32 HD2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 - 1 [ 0.31 .. 0.31]
16-> GLN A 11 HE2* - LEU B 32 HD2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.56 1.20 0.28 0.00 0.00 2.09 1.61 0.00 0.43 1.11 0.01 0.79 0.00 0.00 0.00 3.64 - 10 [ 0.01 .. 3.64]
17-> GLN A 11 HG* - LEU B 32 HD1* [ 1.80 5.00] 0.74 0.00 0.08 0.00 0.76 0.00 0.00 0.00 0.00 1.83 2.33 0.18 0.00 1.07 0.00 0.00 0.00 0.00 0.00 3.76 - 8 [ 0.08 .. 3.76]
18-> GLN A 11 HG* - LEU B 32 HD2* [ 1.80 5.00] 0.00 0.00 0.23 0.00 0.07 0.63 0.00 0.00 0.00 0.14 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 - 6 [ 0.07 .. 1.53]
19-> GLN A 11 HG* - LEU B 32 HG [ 1.80 5.00] 1.80 1.59 2.65 0.09 2.74 1.44 0.71 0.65 1.33 3.00 4.06 0.60 2.27 1.61 0.13 1.09 1.35 2.38 1.73 3.65 - 20 [ 0.09 .. 4.06]
20-> VAL A 12 HA - LEU B 32 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 - 1 [ 1.65 .. 1.65]
21-> VAL A 12 HG1* - MET B 35 HE* [ 1.80 5.00] 1.01 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 1.44 0.00 1.42 0.80 0.00 0.23 0.00 0.00 0.00 2.23 0.00 - 7 [ 0.23 .. 2.23]
22-> VAL A 12 HG1* - MET B 35 HG* [ 1.80 5.00] 1.36 0.00 0.00 0.00 1.51 0.00 0.00 1.46 0.00 0.00 0.92 1.55 0.00 0.93 1.06 0.00 0.00 0.00 1.89 0.00 - 8 [ 0.92 .. 1.89]
24-> VAL A 12 HG1* - ALA B 36 HN [ 1.80 5.00] 0.57 0.00 0.00 0.51 0.92 0.00 0.59 0.85 0.00 0.45 0.20 0.53 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 - 9 [ 0.20 .. 1.27]
25-> VAL A 12 HG2* - MET B 35 HE* [ 1.80 5.00] 1.28 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 2.03 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.77 1.07 0.00 - 6 [ 0.24 .. 2.25]
26-> VAL A 12 HN - LEU B 32 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.03 0.00 0.36 0.00 0.00 0.00 0.00 0.00 2.12 - 4 [ 0.03 .. 2.12]
27-> LEU A 15 HA - VAL B 22 HG1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.21 .. 1.21]
29-> LEU A 15 HD1* - HIS B 26 HD2 [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 - 1 [ 1.14 .. 1.14]
30-> LEU A 15 HD1* - HIS B 26 HE1 [ 1.80 5.00] 0.19 0.27 2.53 0.00 0.00 0.49 0.34 0.57 0.12 0.79 0.51 0.00 0.12 0.00 0.16 0.79 0.30 2.40 0.35 0.53 - 16 [ 0.12 .. 2.53]
33-> LEU A 15 HD2* - HIS B 26 HD2 [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.02 0.00 0.91 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.02 .. 0.91]
37-> LEU A 15 HD2* - ALA B 36 HN [ 1.80 5.00] 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 1.27 0.00 0.00 - 3 [ 1.27 .. 1.42]
39-> ILE A 16 HA - ALA B 36 HA [ 1.80 5.00] 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 0.83 0.00 0.00 0.10 0.00 0.00 - 3 [ 0.10 .. 0.83]
53-> ILE A 16 HG2* - HIS B 43 HD2 [ 1.80 5.00] 0.44 0.63 0.00 0.00 0.33 0.00 0.12 0.00 0.56 0.42 0.49 0.00 0.00 0.81 0.00 0.00 0.87 0.00 0.00 0.68 - 10 [ 0.12 .. 0.87]
58-> GLU A 18 HN - VAL B 22 HG1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.35 .. 0.35]
60-> ILE A 19 HD1* - VAL B 22 HB [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.14 .. 0.14]
66-> ILE A 19 HG2* - VAL B 22 HB [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.60 .. 0.60]
69-> ILE A 19 HG2* - LEU B 23 HG [ 1.80 5.00] 0.00 0.10 0.04 0.00 0.00 0.00 0.08 0.00 0.01 0.00 0.03 0.00 0.00 0.00 0.00 0.13 0.00 0.29 0.00 0.00 - 7 [ 0.01 .. 0.29]
70-> ILE A 19 HG2* - LEU B 23 HN [ 1.80 5.00] 0.83 0.98 1.06 0.66 0.72 0.92 1.06 0.91 0.85 0.83 0.95 0.65 1.06 0.78 0.94 1.22 0.78 1.36 0.74 0.66 - 20 [ 0.65 .. 1.36]
72-> LEU A 20 HD1* - HIS B 43 HD2 [ 1.80 5.00] 0.35 1.44 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.23 0.47 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.23 .. 1.44]
73-> LEU A 20 HD1* - HIS B 43 HE1 [ 1.80 5.00] 0.00 0.10 0.46 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 2.75 0.00 0.00 1.13 2.60 0.00 - 6 [ 0.10 .. 2.75]
77-> LEU A 20 HD2* - HIS B 43 HD2 [ 1.80 5.00] 1.04 1.82 0.00 0.87 1.39 0.00 0.00 0.00 0.00 0.60 1.20 0.00 0.00 0.00 1.35 0.14 0.00 0.18 0.00 0.00 - 9 [ 0.14 .. 1.82]
79-> LEU A 20 HD2* - LEU B 44 HG [ 1.80 5.00] 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.90 0.00 0.00 0.00 1.00 0.00 1.97 0.38 1.66 0.00 - 7 [ 0.38 .. 1.97]
80-> THR A 30 HA - LEU B 44 HD1* [ 1.80 5.00] 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.22 .. 0.22]
83-> THR A 30 HG2* - LYS B 48 HA [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.22 0.00 0.00 0.43 - 3 [ 0.22 .. 0.43]
86-> SER A 33 HA - LEU B 44 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.96 0.00 0.38 0.00 0.00 0.00 - 3 [ 0.11 .. 0.96]
89-> LEU A 34 HA - VAL B 41 HA [ 1.80 5.00] 0.00 1.18 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 0.38 0.00 0.00 0.00 - 3 [ 0.38 .. 1.18]
90-> LEU A 34 HD1* - PHE B 61 HD* [ 1.80 5.00] 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.55 .. 0.55]
91-> LEU A 34 HD2* - VAL B 41 HA [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.57 1.20 0.00 0.00 0.23 0.00 0.00 0.56 0.90 0.00 - 6 [ 0.23 .. 1.20]
95-> LEU A 34 HD2* - VAL B 57 HG2* [ 1.80 5.00] 0.44 0.00 0.00 0.00 0.21 0.54 0.70 0.00 0.00 0.10 0.00 0.00 0.00 0.53 0.00 0.79 0.00 0.00 0.00 0.44 - 8 [ 0.10 .. 0.79]
103-> GLY A 38 HA3 - PHE B 61 HZ [ 1.80 5.00] 0.00 0.48 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.48 .. 1.78]
104-> GLY A 38 HA2 - PHE B 61 HZ [ 1.80 5.00] 0.00 0.16 0.00 0.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.16 .. 3.13]
105-> GLY A 38 HA* - VAL B 41 HG2* [ 1.80 5.00] 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.75 .. 0.75]
106-> GLY A 38 HA* - PHE B 61 HE* [ 1.80 5.00] 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.53 .. 0.53]
107-> GLY A 38 HA* - LEU B 65 HB* [ 1.80 5.00] 0.00 2.50 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 0.00 - 2 [ 0.24 .. 2.50]
108-> GLY A 38 HA* - LEU B 65 HD1* [ 1.80 5.00] 0.00 1.41 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 0.00 0.00 - 1 [ 1.41 .. 1.41]
109-> GLY A 38 HA* - LEU B 65 HD2* [ 1.80 5.00] 0.00 0.83 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 0.00 0.00 0.00 0.00 - 2 [ 0.78 .. 0.83]
110-> GLY A 38 HN - PHE B 61 HE* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.02 .. 1.02]
111-> GLY A 38 HN - PHE B 61 HZ [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.71 .. 1.71]
112-> VAL A 41 HB - LEU B 65 HD1* [ 1.80 5.00] 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 0.00 0.00 - 1 [ 0.53 .. 0.53]
114-> VAL A 41 HG1* - PHE B 61 HE* [ 1.80 5.00] 0.52 1.50 0.00 1.97 0.00 0.00 3.66 0.14 0.00 0.00 0.11 0.71 2.56 0.01 0.04 0.50 0.00 0.29 0.64 0.09 - 15 [ 0.00 .. 3.66]
115-> VAL A 41 HG1* - PHE B 61 HZ [ 1.80 5.00] 0.65 2.77 0.00 2.94 0.20 0.19 5.32 0.12 0.36 0.00 0.13 0.75 4.50 0.15 0.30 1.05 0.00 0.48 0.67 0.23 - 17 [ 0.12 .. 5.32]
118-> VAL A 41 HG2* - PHE B 61 HE* [ 1.80 5.00] 0.00 0.00 0.00 1.03 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 1.03 .. 2.77]
119-> VAL A 41 HG2* - PHE B 61 HZ [ 1.80 5.00] 0.00 0.73 0.00 2.02 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.73 .. 4.24]
120-> THR A 42 HA - LEU B 65 HD1* [ 1.80 5.00] 0.50 2.21 0.39 0.59 1.12 0.33 0.30 1.53 0.26 0.00 0.00 2.01 0.00 1.10 0.27 0.00 0.52 1.02 0.60 0.92 - 16 [ 0.26 .. 2.21]
121-> THR A 42 HA - LEU B 65 HD2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.62 0.00 0.69 0.00 0.06 0.00 0.54 0.63 0.00 1.39 0.00 0.00 - 7 [ 0.06 .. 1.39]
122-> THR A 42 HB - LEU B 65 HD1* [ 1.80 5.00] 0.88 3.32 1.56 0.24 1.68 0.17 1.03 2.47 0.09 0.77 0.00 2.78 0.00 1.90 0.13 0.00 1.50 0.75 1.18 1.77 - 17 [ 0.09 .. 3.32]
123-> THR A 42 HG2* - LEU B 65 HA [ 1.80 5.00] 0.14 0.00 0.00 0.00 0.00 0.03 0.00 0.49 0.00 0.00 0.46 0.80 0.00 0.02 0.00 0.19 0.00 0.58 0.52 0.00 - 9 [ 0.02 .. 0.80]
124-> THR A 42 HG2* - LEU B 65 HB* [ 1.80 5.00] 1.15 0.51 0.53 0.00 0.00 1.01 0.00 1.23 0.00 0.00 1.43 1.85 0.55 0.86 0.75 1.18 0.50 1.32 1.47 0.00 - 14 [ 0.50 .. 1.85]
125-> THR A 42 HG2* - LEU B 65 HD1* [ 1.80 5.00] 0.82 0.50 1.08 0.36 0.00 0.11 0.00 1.90 0.00 0.00 0.00 2.31 0.00 1.57 0.00 0.00 1.11 0.69 0.99 0.00 - 11 [ 0.11 .. 2.31]
126-> THR A 42 HG2* - LEU B 65 HG [ 1.80 5.00] 0.11 0.00 1.50 1.22 0.00 0.67 0.00 2.54 0.00 0.00 1.09 2.69 0.55 2.16 0.21 0.71 1.56 1.04 0.35 0.00 - 14 [ 0.11 .. 2.69]
127-> THR A 42 HG2* - SER B 68 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.45 0.00 0.22 0.36 0.40 0.38 0.26 0.00 0.00 0.00 0.61 0.22 0.00 - 9 [ 0.18 .. 0.61]
128-> THR A 42 HG2* - VAL B 69 HA [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.30 .. 0.97]
129-> THR A 42 HN - LEU B 65 HD1* [ 1.80 5.00] 0.00 2.32 0.00 0.00 0.71 0.00 0.19 0.91 0.00 0.00 0.00 1.03 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.40 - 7 [ 0.19 .. 2.32]
130-> THR A 42 HN - LEU B 65 HD2* [ 1.80 5.00] 0.00 0.31 0.00 0.00 0.00 0.09 0.27 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.01 0.00 0.43 0.00 0.00 - 6 [ 0.01 .. 0.43]
132-> SER A 51 HB* - LEU B 73 HD2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.55 .. 0.55]
135-> ARG A 54 HB* - VAL B 69 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.52 0.08 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.17 - 5 [ 0.08 .. 0.52]
138-> ARG A 54 HD* - VAL B 69 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.24 .. 0.24]
140-> ARG A 54 HG* - VAL B 69 HG2* [ 1.80 5.00] 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 - 3 [ 0.08 .. 0.23]
141-> GLN A 55 HA - VAL B 69 HG1* [ 1.80 5.00] 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 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.47 .. 0.47]
142-> GLN A 55 HB* - VAL B 69 HG1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.00 - 3 [ 0.15 .. 1.54]
143-> GLN A 55 HG* - VAL B 69 HG1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.12 2.19 0.46 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 - 5 [ 0.12 .. 2.19]
144-> GLN A 55 HG* - VAL B 69 HG2* [ 1.80 5.00] 0.83 1.74 0.05 1.40 0.34 1.60 0.26 0.00 1.43 0.57 2.02 0.20 0.07 0.00 1.70 2.36 0.00 1.57 1.01 0.98 - 17 [ 0.05 .. 2.36]
145-> GLN A 55 HG* - LYS B 70 HG* [ 1.80 5.00] 0.00 0.43 1.32 0.00 0.00 2.49 1.86 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.43 0.00 1.80 0.00 0.00 0.00 - 7 [ 0.43 .. 2.49]
146-> GLN A 55 HN - VAL B 69 HG1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.31 .. 1.31]
147-> ALA A 58 HB* - LEU B 65 HD2* [ 1.80 5.00] 0.00 0.00 0.00 1.54 0.00 0.05 0.00 0.00 0.76 0.00 0.11 1.30 0.00 0.00 0.60 0.00 0.00 0.06 0.00 0.39 - 8 [ 0.05 .. 1.54]
152-> PHE A 61 HE* - LEU B 65 HD1* [ 1.80 5.00] 0.00 0.06 0.00 1.47 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 1.59 0.00 0.03 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.03 .. 1.59]
153-> ALA A 62 HB* - LEU B 65 HD2* [ 1.80 5.00] 0.00 0.00 0.62 0.79 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 - 4 [ 0.35 .. 0.79]
155-> TYR B 7 HB3 - LEU A 32 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 - 1 [ 0.33 .. 0.33]
156-> TYR B 7 HB2 - LEU A 32 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 - 1 [ 0.59 .. 0.59]
157-> TYR B 7 HD* - LEU A 32 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 - 1 [ 1.16 .. 1.16]
158-> TYR B 7 HD* - LEU A 32 HD2* [ 1.80 5.00] 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 0.03 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.03 .. 0.58]
159-> TYR B 7 HD* - MET A 35 HE* [ 1.80 5.00] 2.75 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 2.96 1.25 2.11 0.00 3.20 0.00 2.20 0.00 0.38 0.00 1.67 - 9 [ 0.38 .. 3.20]
160-> TYR B 7 HE* - PRO A 29 HG* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4.94 0.00 1.14 0.00 0.00 0.00 - 3 [ 1.14 .. 4.94]
161-> TYR B 7 HE* - ASP A 31 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 3.52 1.82 1.93 0.00 0.00 0.00 4.18 - 5 [ 1.82 .. 4.18]
162-> TYR B 7 HE* - LEU A 32 HA [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 2.24 0.00 0.00 3.24 0.94 2.41 0.00 0.00 0.00 4.08 - 6 [ 0.81 .. 4.08]
163-> TYR B 7 HE* - LEU A 32 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.17 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.46 1.83 0.00 0.00 0.00 0.00 1.02 - 5 [ 0.17 .. 1.83]
164-> TYR B 7 HE* - LEU A 32 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.32 0.00 0.00 1.18 0.00 0.10 0.00 0.00 0.00 2.58 - 5 [ 0.10 .. 2.58]
165-> TYR B 7 HE* - LEU A 32 HD2* [ 1.80 5.00] 0.00 0.35 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.46 0.00 0.00 0.37 - 5 [ 0.35 .. 2.05]
166-> TYR B 7 HE* - LEU A 32 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 1.44 0.00 0.00 2.57 3.24 1.51 0.00 0.00 0.00 3.34 - 6 [ 0.16 .. 3.34]
167-> TYR B 7 HE* - MET A 35 HE* [ 1.80 5.00] 1.14 0.00 0.00 0.64 1.99 0.00 0.00 0.00 0.00 1.59 2.11 1.41 0.00 4.42 0.00 3.85 0.00 1.50 0.00 2.94 - 10 [ 0.64 .. 4.42]
168-> GLN B 11 HB* - LEU A 32 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.55 0.36 0.00 0.88 0.00 0.00 0.00 0.00 0.00 2.47 - 5 [ 0.28 .. 2.47]
169-> GLN B 11 HB* - LEU A 32 HD2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 - 1 [ 0.31 .. 0.31]
170-> GLN B 11 HE2* - LEU A 32 HD2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.56 1.20 0.28 0.00 0.00 2.09 1.61 0.00 0.43 1.11 0.01 0.79 0.00 0.00 0.00 3.65 - 10 [ 0.01 .. 3.65]
171-> GLN B 11 HG* - LEU A 32 HD1* [ 1.80 5.00] 0.74 0.00 0.07 0.00 0.76 0.00 0.00 0.00 0.00 1.83 2.33 0.18 0.00 1.07 0.00 0.00 0.00 0.00 0.00 3.76 - 8 [ 0.07 .. 3.76]
172-> GLN B 11 HG* - LEU A 32 HD2* [ 1.80 5.00] 0.00 0.00 0.23 0.00 0.07 0.63 0.00 0.00 0.00 0.14 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 - 6 [ 0.07 .. 1.53]
173-> GLN B 11 HG* - LEU A 32 HG [ 1.80 5.00] 1.80 1.59 2.65 0.09 2.74 1.44 0.70 0.65 1.33 3.00 4.05 0.60 2.27 1.61 0.13 1.09 1.35 2.38 1.73 3.65 - 20 [ 0.09 .. 4.05]
174-> VAL B 12 HA - LEU A 32 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 - 1 [ 1.65 .. 1.65]
175-> VAL B 12 HG1* - MET A 35 HE* [ 1.80 5.00] 1.01 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 1.44 0.00 1.42 0.80 0.00 0.23 0.00 0.00 0.00 2.23 0.00 - 7 [ 0.23 .. 2.23]
176-> VAL B 12 HG1* - MET A 35 HG* [ 1.80 5.00] 1.36 0.00 0.00 0.00 1.51 0.00 0.00 1.45 0.00 0.00 0.92 1.55 0.00 0.93 1.06 0.00 0.00 0.00 1.89 0.00 - 8 [ 0.92 .. 1.89]
178-> VAL B 12 HG1* - ALA A 36 HN [ 1.80 5.00] 0.57 0.00 0.00 0.51 0.92 0.00 0.59 0.85 0.00 0.45 0.20 0.52 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 - 9 [ 0.20 .. 1.27]
179-> VAL B 12 HG2* - MET A 35 HE* [ 1.80 5.00] 1.28 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 2.03 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.77 1.07 0.00 - 6 [ 0.24 .. 2.25]
180-> VAL B 12 HN - LEU A 32 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.03 0.00 0.36 0.00 0.00 0.00 0.00 0.00 2.12 - 4 [ 0.03 .. 2.12]
181-> LEU B 15 HA - VAL A 22 HG1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.21 .. 1.21]
183-> LEU B 15 HD1* - HIS A 26 HD2 [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 - 1 [ 1.14 .. 1.14]
184-> LEU B 15 HD1* - HIS A 26 HE1 [ 1.80 5.00] 0.19 0.27 2.54 0.00 0.00 0.49 0.34 0.57 0.12 0.79 0.51 0.00 0.12 0.00 0.16 0.79 0.30 2.40 0.35 0.53 - 16 [ 0.12 .. 2.54]
187-> LEU B 15 HD2* - HIS A 26 HD2 [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.02 0.00 0.91 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.02 .. 0.91]
191-> LEU B 15 HD2* - ALA A 36 HN [ 1.80 5.00] 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 1.27 0.00 0.00 - 3 [ 1.27 .. 1.42]
193-> ILE B 16 HA - ALA A 36 HA [ 1.80 5.00] 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 0.83 0.00 0.00 0.10 0.00 0.00 - 3 [ 0.10 .. 0.83]
207-> ILE B 16 HG2* - HIS A 43 HD2 [ 1.80 5.00] 0.44 0.63 0.00 0.00 0.33 0.00 0.12 0.00 0.56 0.43 0.49 0.00 0.00 0.81 0.00 0.00 0.87 0.00 0.00 0.68 - 10 [ 0.12 .. 0.87]
212-> GLU B 18 HN - VAL A 22 HG1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.35 .. 0.35]
214-> ILE B 19 HD1* - VAL A 22 HB [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.14 .. 0.14]
220-> ILE B 19 HG2* - VAL A 22 HB [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.60 .. 0.60]
223-> ILE B 19 HG2* - LEU A 23 HG [ 1.80 5.00] 0.00 0.10 0.04 0.00 0.00 0.00 0.08 0.00 0.01 0.00 0.03 0.00 0.00 0.00 0.00 0.13 0.00 0.29 0.00 0.00 - 7 [ 0.01 .. 0.29]
224-> ILE B 19 HG2* - LEU A 23 HN [ 1.80 5.00] 0.82 0.98 1.06 0.66 0.72 0.92 1.06 0.92 0.85 0.83 0.95 0.65 1.06 0.78 0.94 1.23 0.78 1.36 0.74 0.66 - 20 [ 0.65 .. 1.36]
226-> LEU B 20 HD1* - HIS A 43 HD2 [ 1.80 5.00] 0.35 1.44 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.23 0.47 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.23 .. 1.44]
227-> LEU B 20 HD1* - HIS A 43 HE1 [ 1.80 5.00] 0.00 0.10 0.46 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 2.75 0.00 0.00 1.13 2.60 0.00 - 6 [ 0.10 .. 2.75]
231-> LEU B 20 HD2* - HIS A 43 HD2 [ 1.80 5.00] 1.04 1.82 0.00 0.87 1.39 0.00 0.00 0.00 0.00 0.60 1.20 0.00 0.00 0.00 1.35 0.14 0.00 0.18 0.00 0.00 - 9 [ 0.14 .. 1.82]
233-> LEU B 20 HD2* - LEU A 44 HG [ 1.80 5.00] 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.90 0.00 0.00 0.00 1.00 0.00 1.98 0.37 1.65 0.00 - 7 [ 0.37 .. 1.98]
234-> THR B 30 HA - LEU A 44 HD1* [ 1.80 5.00] 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.22 .. 0.22]
237-> THR B 30 HG2* - LYS A 48 HA [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.22 0.00 0.00 0.43 - 3 [ 0.22 .. 0.43]
240-> SER B 33 HA - LEU A 44 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.96 0.00 0.38 0.00 0.00 0.00 - 3 [ 0.11 .. 0.96]
243-> LEU B 34 HA - VAL A 41 HA [ 1.80 5.00] 0.00 1.18 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 0.38 0.00 0.00 0.00 - 3 [ 0.38 .. 1.18]
244-> LEU B 34 HD1* - PHE A 61 HD* [ 1.80 5.00] 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.55 .. 0.55]
245-> LEU B 34 HD2* - VAL A 41 HA [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.57 1.20 0.00 0.00 0.23 0.00 0.00 0.56 0.90 0.00 - 6 [ 0.23 .. 1.20]
249-> LEU B 34 HD2* - VAL A 57 HG2* [ 1.80 5.00] 0.44 0.00 0.00 0.00 0.21 0.54 0.70 0.00 0.00 0.10 0.00 0.00 0.00 0.53 0.00 0.79 0.00 0.00 0.00 0.44 - 8 [ 0.10 .. 0.79]
257-> GLY B 38 HA3 - PHE A 61 HZ [ 1.80 5.00] 0.00 0.48 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.48 .. 1.78]
258-> GLY B 38 HA2 - PHE A 61 HZ [ 1.80 5.00] 0.00 0.16 0.00 0.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.16 .. 3.13]
259-> GLY B 38 HA* - VAL A 41 HG2* [ 1.80 5.00] 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.75 .. 0.75]
260-> GLY B 38 HA* - PHE A 61 HE* [ 1.80 5.00] 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.53 .. 0.53]
261-> GLY B 38 HA* - LEU A 65 HB* [ 1.80 5.00] 0.00 2.50 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 0.00 - 2 [ 0.24 .. 2.50]
262-> GLY B 38 HA* - LEU A 65 HD1* [ 1.80 5.00] 0.00 1.41 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 0.00 0.00 - 1 [ 1.41 .. 1.41]
263-> GLY B 38 HA* - LEU A 65 HD2* [ 1.80 5.00] 0.00 0.83 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 0.00 0.00 0.00 0.00 - 2 [ 0.78 .. 0.83]
264-> GLY B 38 HN - PHE A 61 HE* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.02 .. 1.02]
265-> GLY B 38 HN - PHE A 61 HZ [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.71 .. 1.71]
266-> VAL B 41 HB - LEU A 65 HD1* [ 1.80 5.00] 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 0.00 0.00 - 1 [ 0.53 .. 0.53]
268-> VAL B 41 HG1* - PHE A 61 HE* [ 1.80 5.00] 0.52 1.50 0.00 1.97 0.00 0.00 3.66 0.14 0.00 0.00 0.11 0.71 2.56 0.01 0.04 0.50 0.00 0.29 0.64 0.09 - 15 [ 0.00 .. 3.66]
269-> VAL B 41 HG1* - PHE A 61 HZ [ 1.80 5.00] 0.65 2.77 0.00 2.94 0.20 0.19 5.32 0.12 0.36 0.00 0.13 0.75 4.50 0.15 0.30 1.05 0.00 0.48 0.66 0.23 - 17 [ 0.12 .. 5.32]
272-> VAL B 41 HG2* - PHE A 61 HE* [ 1.80 5.00] 0.00 0.00 0.00 1.03 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 1.03 .. 2.77]
273-> VAL B 41 HG2* - PHE A 61 HZ [ 1.80 5.00] 0.00 0.73 0.00 2.02 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.73 .. 4.24]
274-> THR B 42 HA - LEU A 65 HD1* [ 1.80 5.00] 0.50 2.21 0.39 0.59 1.12 0.33 0.30 1.53 0.26 0.00 0.00 2.01 0.00 1.10 0.27 0.00 0.52 1.02 0.60 0.92 - 16 [ 0.26 .. 2.21]
275-> THR B 42 HA - LEU A 65 HD2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.62 0.00 0.69 0.00 0.06 0.00 0.54 0.63 0.00 1.39 0.00 0.00 - 7 [ 0.06 .. 1.39]
276-> THR B 42 HB - LEU A 65 HD1* [ 1.80 5.00] 0.88 3.32 1.56 0.24 1.68 0.17 1.03 2.47 0.09 0.77 0.00 2.78 0.00 1.90 0.13 0.00 1.50 0.75 1.18 1.77 - 17 [ 0.09 .. 3.32]
277-> THR B 42 HG2* - LEU A 65 HA [ 1.80 5.00] 0.14 0.00 0.00 0.00 0.00 0.03 0.00 0.49 0.00 0.00 0.46 0.80 0.00 0.02 0.00 0.19 0.00 0.58 0.52 0.00 - 9 [ 0.02 .. 0.80]
278-> THR B 42 HG2* - LEU A 65 HB* [ 1.80 5.00] 1.15 0.51 0.53 0.00 0.00 1.01 0.00 1.23 0.00 0.00 1.43 1.85 0.55 0.86 0.75 1.18 0.50 1.32 1.47 0.00 - 14 [ 0.50 .. 1.85]
279-> THR B 42 HG2* - LEU A 65 HD1* [ 1.80 5.00] 0.82 0.50 1.08 0.36 0.00 0.11 0.00 1.90 0.00 0.00 0.00 2.31 0.00 1.57 0.00 0.00 1.11 0.69 0.99 0.00 - 11 [ 0.11 .. 2.31]
280-> THR B 42 HG2* - LEU A 65 HG [ 1.80 5.00] 0.11 0.00 1.50 1.23 0.00 0.67 0.00 2.54 0.00 0.00 1.09 2.69 0.55 2.16 0.21 0.71 1.56 1.04 0.35 0.00 - 14 [ 0.11 .. 2.69]
281-> THR B 42 HG2* - SER A 68 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.45 0.00 0.22 0.36 0.40 0.38 0.26 0.00 0.00 0.00 0.61 0.22 0.00 - 9 [ 0.18 .. 0.61]
282-> THR B 42 HG2* - VAL A 69 HA [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.30 .. 0.97]
283-> THR B 42 HN - LEU A 65 HD1* [ 1.80 5.00] 0.00 2.31 0.00 0.00 0.71 0.00 0.19 0.91 0.00 0.00 0.00 1.03 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.40 - 7 [ 0.19 .. 2.31]
284-> THR B 42 HN - LEU A 65 HD2* [ 1.80 5.00] 0.00 0.31 0.00 0.00 0.00 0.09 0.27 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.01 0.00 0.43 0.00 0.00 - 6 [ 0.01 .. 0.43]
286-> SER B 51 HB* - LEU A 73 HD2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.55 .. 0.55]
289-> ARG B 54 HB* - VAL A 69 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.52 0.08 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.17 - 5 [ 0.08 .. 0.52]
292-> ARG B 54 HD* - VAL A 69 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.24 .. 0.24]
294-> ARG B 54 HG* - VAL A 69 HG2* [ 1.80 5.00] 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 - 3 [ 0.08 .. 0.23]
295-> GLN B 55 HA - VAL A 69 HG1* [ 1.80 5.00] 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 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.47 .. 0.47]
296-> GLN B 55 HB* - VAL A 69 HG1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.00 - 3 [ 0.15 .. 1.54]
297-> GLN B 55 HG* - VAL A 69 HG1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.12 2.19 0.46 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 - 5 [ 0.12 .. 2.19]
298-> GLN B 55 HG* - VAL A 69 HG2* [ 1.80 5.00] 0.83 1.74 0.05 1.40 0.34 1.60 0.26 0.00 1.43 0.57 2.02 0.20 0.07 0.00 1.70 2.36 0.00 1.57 1.01 0.98 - 17 [ 0.05 .. 2.36]
299-> GLN B 55 HG* - LYS A 70 HG* [ 1.80 5.00] 0.00 0.43 1.32 0.00 0.00 2.49 1.86 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.43 0.00 1.80 0.00 0.00 0.00 - 7 [ 0.43 .. 2.49]
300-> GLN B 55 HN - VAL A 69 HG1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.31 .. 1.31]
301-> ALA B 58 HB* - LEU A 65 HD2* [ 1.80 5.00] 0.00 0.00 0.00 1.54 0.00 0.05 0.00 0.00 0.76 0.00 0.11 1.30 0.00 0.00 0.60 0.00 0.00 0.06 0.00 0.39 - 8 [ 0.05 .. 1.54]
306-> PHE B 61 HE* - LEU A 65 HD1* [ 1.80 5.00] 0.00 0.06 0.00 1.47 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 1.59 0.00 0.03 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.03 .. 1.59]
307-> ALA B 62 HB* - LEU A 65 HD2* [ 1.80 5.00] 0.00 0.00 0.62 0.78 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 - 4 [ 0.35 .. 0.78]
309-> SER A 5 HA - TYR A 7 HN [ 1.80 5.00] 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 0.00 0.00 0.00 0.00 - 1 [ 0.35 .. 0.35]
310-> SER A 5 HB* - TYR A 7 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.17 .. 0.17]
311-> LYS A 6 HB* - TYR A 7 HD* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 - 1 [ 1.27 .. 1.27]
312-> LYS A 6 HB* - TYR A 7 HE* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 3.01 - 4 [ 0.09 .. 3.01]
313-> LYS A 6 HD* - TYR A 7 HD* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 1.77 0.00 0.00 0.00 0.98 0.79 0.00 0.00 0.00 3.22 - 5 [ 0.09 .. 3.22]
314-> LYS A 6 HE* - TYR A 7 HD* [ 1.80 5.00] 0.56 0.30 0.91 0.00 0.81 0.00 1.15 0.84 1.54 0.99 2.53 0.00 0.81 0.00 2.14 1.65 1.46 0.96 0.00 4.27 - 15 [ 0.30 .. 4.27]
315-> TYR A 7 HB3 - VAL A 12 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.18 0.67 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 - 4 [ 0.02 .. 0.67]
316-> TYR A 7 HB2 - VAL A 12 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.40 2.01 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 - 2 [ 0.40 .. 2.01]
317-> TYR A 7 HB* - GLN A 11 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.25 1.39 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 - 3 [ 0.11 .. 1.39]
318-> TYR A 7 HD* - GLN A 11 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.04 1.15 2.30 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 - 4 [ 0.04 .. 2.30]
319-> TYR A 7 HD* - VAL A 12 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.15 0.32 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.69 0.00 0.00 - 5 [ 0.01 .. 0.69]
320-> TYR A 7 HE* - VAL A 12 HG2* [ 1.80 5.00] 0.00 0.00 0.82 1.47 1.64 1.32 1.19 0.00 0.19 0.00 0.31 0.00 0.27 0.33 0.00 2.03 0.00 2.33 1.08 0.00 - 12 [ 0.19 .. 2.33]
326-> SER A 8 HN - GLN A 11 HG* [ 1.80 5.00] 0.00 0.00 0.00 0.10 0.00 0.60 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 - 4 [ 0.10 .. 0.99]
327-> SER A 8 HN - GLN A 11 HN [ 1.80 5.00] 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 0.00 0.00 0.00 0.08 - 2 [ 0.08 .. 0.32]
328-> SER A 8 HN - VAL A 12 HG2* [ 1.80 5.00] 0.00 0.00 0.00 1.24 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.06 1.20 0.00 - 5 [ 0.06 .. 1.56]
334-> ASN A 9 HA - GLU A 13 HN [ 1.80 5.00] 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 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.12 .. 0.12]
338-> THR A 10 HA - GLU A 13 HG* [ 1.80 5.00] 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 0.00 0.00 0.00 0.00 - 1 [ 0.72 .. 0.72]
340-> THR A 10 HG2* - SER A 14 HN [ 1.80 5.00] 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 1.26 0.85 0.40 - 4 [ 0.40 .. 1.26]
344-> GLN A 11 HA - SER A 14 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.57 .. 0.57]
345-> GLN A 11 HG* - LEU A 15 HD1* [ 1.80 5.00] 0.98 1.31 1.87 0.00 2.37 0.00 1.26 0.65 1.85 1.64 2.49 0.00 3.00 0.07 1.45 0.32 1.31 1.95 2.33 1.85 - 17 [ 0.07 .. 3.00]
346-> GLN A 11 HN - VAL A 12 HG2* [ 1.80 5.00] 0.00 0.00 0.00 1.01 0.67 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 - 4 [ 0.67 .. 1.01]
348-> VAL A 12 HA - SER A 14 HN [ 1.80 5.00] 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 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.12 .. 0.12]
350-> VAL A 12 HA - LEU A 15 HD1* [ 1.80 5.00] 0.58 0.37 0.00 0.00 0.00 0.00 0.00 0.58 0.75 0.00 0.22 0.00 0.62 0.00 0.00 0.00 0.43 0.00 0.09 0.00 - 8 [ 0.09 .. 0.75]
351-> VAL A 12 HA - LEU A 15 HD2* [ 1.80 5.00] 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 - 2 [ 0.10 .. 0.49]
354-> VAL A 12 HG1* - LEU A 15 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 - 3 [ 0.10 .. 0.42]
357-> VAL A 12 HG1* - ILE A 16 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 - 1 [ 0.47 .. 0.47]
361-> VAL A 12 HN - LEU A 15 HN [ 1.80 5.00] 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.40 0.00 0.00 - 3 [ 0.02 .. 0.40]
367-> GLU A 13 HG* - ILE A 16 HG2* [ 1.80 5.00] 0.57 0.54 0.00 0.00 0.31 0.00 0.73 0.00 0.00 0.05 0.00 0.31 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 - 7 [ 0.05 .. 0.73]
375-> SER A 14 HN - ALA A 17 HB* [ 1.80 5.00] 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 - 2 [ 0.03 .. 0.15]
403-> GLU A 18 HA - VAL A 22 HN [ 1.80 5.00] 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]
404-> GLU A 18 HN - ILE A 19 HD1* [ 1.80 5.00] 0.25 0.07 0.09 0.08 0.00 0.13 0.02 0.10 0.07 0.13 0.28 0.09 0.06 0.15 0.00 0.00 0.23 0.12 0.16 0.00 - 17 [ 0.00 .. 0.28]
408-> ILE A 19 HA - VAL A 22 HB [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
413-> ILE A 19 HN - VAL A 22 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.41 0.00 0.00 0.07 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 - 3 [ 0.04 .. 0.41]
426-> VAL A 21 HG1* - LYS A 25 HE* [ 1.80 5.00] 0.00 0.35 0.41 0.00 0.09 0.31 0.08 0.13 0.00 0.00 0.20 0.00 0.27 0.28 0.25 0.55 0.25 0.21 0.00 0.28 - 14 [ 0.08 .. 0.55]
437-> VAL A 22 HG1* - HIS A 26 HD2 [ 1.80 5.00] 0.00 0.00 0.00 1.11 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.39 1.98 0.00 0.00 1.70 0.00 0.00 0.00 0.00 - 5 [ 0.39 .. 1.98]
438-> VAL A 22 HG2* - LYS A 25 HD* [ 1.80 5.00] 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 0.00 0.00 0.00 0.00 - 1 [ 0.37 .. 0.37]
439-> VAL A 22 HG2* - LYS A 25 HE* [ 1.80 5.00] 0.00 0.00 0.34 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.32 0.00 0.64 0.00 0.50 0.00 0.00 - 6 [ 0.01 .. 1.41]
444-> LEU A 23 HA - HIS A 26 HD2 [ 1.80 5.00] 0.00 0.00 0.00 0.04 2.47 0.00 0.00 0.00 0.00 0.14 0.00 2.86 1.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 - 6 [ 0.04 .. 2.93]
446-> LEU A 23 HA - LYS A 27 HN [ 1.80 5.00] 0.38 0.10 0.32 0.00 0.22 0.00 0.00 0.00 0.33 0.57 0.00 0.48 0.11 0.00 0.04 0.50 0.00 0.49 0.55 0.00 - 12 [ 0.04 .. 0.57]
449-> LEU A 23 HB2 - ALA A 28 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.87 - 4 [ 0.10 .. 0.87]
451-> LEU A 23 HB* - ALA A 28 HN [ 1.80 5.00] 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 0.00 0.00 0.00 - 1 [ 0.42 .. 0.42]
452-> LEU A 23 HD1* - ALA A 28 HB* [ 1.80 5.00] 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 0.00 0.00 0.00 0.00 0.00 0.00 0.37 - 2 [ 0.12 .. 0.37]
460-> LEU A 23 HD2* - ALA A 28 HN [ 1.80 5.00] 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.09 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.20 0.00 - 5 [ 0.01 .. 0.30]
472-> LYS A 25 HB* - HIS A 26 HD2 [ 1.80 5.00] 0.00 0.00 0.00 2.25 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.90 0.00 0.00 0.48 0.00 0.00 0.00 0.00 - 5 [ 0.46 .. 2.25]
487-> ALA A 28 HA - LEU A 32 HD2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.86 .. 0.86]
500-> PRO A 29 HD3 - LEU A 32 HD2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.75 .. 0.75]
510-> THR A 30 HG2* - LEU A 34 HG [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.51 0.00 0.79 0.91 0.00 0.00 0.59 0.00 0.00 0.47 0.72 0.00 - 7 [ 0.47 .. 0.91]
514-> ASP A 31 HA - LEU A 34 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.71 0.00 0.36 0.04 0.00 0.00 0.30 0.00 0.00 0.24 0.34 0.00 - 7 [ 0.04 .. 0.71]
517-> ASP A 31 HB* - MET A 35 HE* [ 1.80 5.00] 0.62 0.56 0.00 1.30 0.78 0.00 0.00 0.02 0.00 0.00 0.00 0.97 0.00 0.11 1.13 0.00 0.52 0.58 0.00 0.03 - 11 [ 0.02 .. 1.30]
521-> LEU A 32 HA - MET A 35 HE* [ 1.80 5.00] 0.73 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.94 0.00 0.00 1.11 0.00 0.00 - 5 [ 0.70 .. 1.11]
525-> LEU A 32 HD1* - MET A 35 HE* [ 1.80 5.00] 0.52 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.11 0.00 0.46 0.00 0.00 0.65 0.00 0.00 1.00 0.25 0.00 - 7 [ 0.11 .. 1.00]
526-> LEU A 32 HD1* - MET A 35 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.33 .. 1.33]
527-> LEU A 32 HD1* - ALA A 36 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 - 2 [ 0.33 .. 0.56]
528-> LEU A 32 HD1* - ALA A 36 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.19 .. 1.19]
534-> SER A 33 HB* - LEU A 37 HD2* [ 1.80 5.00] 0.34 0.41 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 0.00 0.00 0.00 0.12 - 4 [ 0.12 .. 0.41]
536-> SER A 33 HN - LEU A 34 HG [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.16 0.00 2.17 2.02 0.00 0.00 2.11 0.00 0.00 2.19 2.18 0.00 - 7 [ 2.02 .. 2.19]
542-> LEU A 34 HD2* - LEU A 37 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.37 0.00 0.37 0.85 0.00 0.00 0.45 0.00 0.00 0.46 0.52 0.00 - 7 [ 0.29 .. 0.85]
543-> LEU A 34 HD2* - LEU A 37 HD2* [ 1.80 5.00] 0.52 0.00 1.04 0.00 0.26 0.00 0.27 1.97 2.11 0.31 2.09 2.47 0.24 0.00 2.15 0.11 0.07 2.16 2.24 0.00 - 15 [ 0.07 .. 2.47]
546-> LEU A 34 HN - LEU A 37 HB* [ 1.80 5.00] 0.31 0.19 0.05 0.00 0.17 0.00 0.11 0.07 0.14 0.35 0.11 0.55 0.00 0.08 0.07 0.00 0.00 0.23 0.25 0.05 - 15 [ 0.05 .. 0.55]
551-> MET A 35 HG* - ASN A 39 HD2* [ 1.80 5.00] 0.26 0.86 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.24 0.00 0.03 0.17 0.36 0.00 - 8 [ 0.01 .. 0.86]
556-> ALA A 36 HB* - ASN A 39 HB* [ 1.80 5.00] 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.21 .. 0.21]
561-> LEU A 37 HB* - VAL A 41 HN [ 1.80 5.00] 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 - 2 [ 0.10 .. 0.22]
562-> LEU A 37 HD1* - CYS A 40 HB* [ 1.80 5.00] 0.24 0.55 0.23 0.57 0.30 0.41 0.55 0.35 0.20 0.42 0.57 0.41 0.35 0.30 0.28 0.69 0.32 0.36 0.05 0.59 - 20 [ 0.05 .. 0.69]
566-> GLY A 38 HA3 - VAL A 41 HG2* [ 1.80 5.00] 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.21 .. 0.21]
572-> GLY A 38 HN - ASN A 39 HB* [ 1.80 5.00] 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 0.00 0.00 - 1 [ 0.14 .. 0.14]
587-> CYS A 40 HA - HIS A 43 HD2 [ 1.80 5.00] 0.44 0.10 0.00 0.68 0.11 0.48 0.00 0.00 0.00 0.25 0.65 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 - 8 [ 0.10 .. 0.68]
594-> VAL A 41 HA - LEU A 44 HB3 [ 1.80 5.00] 0.00 0.06 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 - 2 [ 0.06 .. 0.23]
596-> VAL A 41 HA - LEU A 44 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.16 0.00 0.00 0.00 0.15 0.00 0.27 0.01 0.00 0.00 - 5 [ 0.01 .. 0.27]
597-> VAL A 41 HA - LEU A 44 HG [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
609-> VAL A 41 HG1* - PHE A 61 HZ [ 1.80 5.00] 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.32 .. 0.55]
610-> VAL A 41 HG1* - LEU A 65 HD1* [ 1.80 5.00] 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 1.39 0.00 0.11 0.55 0.00 0.00 0.00 0.00 - 5 [ 0.10 .. 1.39]
611-> VAL A 41 HG1* - LEU A 65 HD2* [ 1.80 5.00] 1.59 1.34 0.50 0.51 0.08 0.00 1.89 0.62 0.00 1.83 0.00 1.27 0.67 0.38 0.00 0.00 1.03 0.00 1.58 0.10 - 14 [ 0.08 .. 1.89]
613-> VAL A 41 HG2* - PHE A 61 HZ [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.59 .. 1.09]
620-> THR A 42 HG2* - GLU A 46 HG* [ 1.80 5.00] 0.57 1.87 0.00 0.00 0.85 0.00 0.84 0.00 0.00 2.15 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 - 7 [ 0.11 .. 2.15]
621-> THR A 42 HG2* - GLU A 46 HN [ 1.80 5.00] 0.00 0.50 0.00 0.00 0.40 0.00 0.44 0.00 0.56 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 - 6 [ 0.40 .. 0.70]
623-> HIS A 43 HA - ARG A 47 HN [ 1.80 5.00] 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 0.00 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
624-> HIS A 43 HB* - LEU A 44 HG [ 1.80 5.00] 0.00 0.00 1.43 0.00 0.00 0.00 0.00 1.45 0.00 0.00 1.32 0.00 0.00 0.00 1.40 0.00 1.44 1.55 1.49 0.00 - 7 [ 1.32 .. 1.55]
625-> HIS A 43 HD2 - LEU A 44 HA [ 1.80 5.00] 2.06 2.00 2.40 1.16 2.02 1.32 0.00 2.43 0.00 2.05 2.05 2.25 0.00 0.00 2.35 1.24 0.00 2.51 2.37 0.00 - 14 [ 1.16 .. 2.51]
626-> HIS A 43 HD2 - LEU A 44 HG [ 1.80 5.00] 2.32 2.12 4.83 1.21 2.23 1.63 0.00 4.80 0.00 2.31 4.48 0.94 0.00 0.00 4.75 1.61 1.27 4.87 4.77 0.00 - 15 [ 0.94 .. 4.87]
642-> LEU A 45 HD2* - VAL A 49 HN [ 1.80 5.00] 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 1.05 1.06 0.00 - 5 [ 0.12 .. 1.21]
644-> LEU A 45 HD2* - ARG A 54 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.19 .. 0.19]
645-> LEU A 45 HD2* - ARG A 54 HD* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.05 0.08 0.00 0.00 0.00 0.00 - 3 [ 0.05 .. 0.83]
647-> LEU A 45 HD2* - ARG A 54 HN [ 1.80 5.00] 0.13 0.00 0.29 0.97 0.19 0.19 0.49 0.42 1.13 0.00 1.35 0.00 0.00 0.00 0.60 0.71 0.00 0.46 0.55 0.11 - 14 [ 0.11 .. 1.35]
653-> GLU A 46 HA - VAL A 49 HN [ 1.80 5.00] 0.00 0.07 0.00 0.00 0.00 0.03 0.02 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.12 - 6 [ 0.02 .. 0.20]
655-> GLU A 46 HA - ARG A 54 HD2 [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.64 .. 0.64]
657-> GLU A 46 HG* - ARG A 54 HD* [ 1.80 5.00] 0.00 0.17 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.08 .. 0.85]
658-> GLU A 46 HG* - ARG A 54 HE [ 1.80 5.00] 0.00 0.00 0.87 0.00 0.88 0.00 1.06 0.00 0.00 0.00 0.71 0.72 0.21 0.75 0.00 0.00 0.00 0.07 0.00 0.00 - 8 [ 0.07 .. 1.06]
659-> GLU A 46 HG* - ARG A 54 HG* [ 1.80 5.00] 0.62 0.80 0.90 0.00 0.62 0.00 0.97 0.49 0.00 0.64 0.72 1.62 0.00 0.67 0.65 0.66 0.00 1.11 0.46 0.00 - 14 [ 0.46 .. 1.62]
661-> ARG A 47 HA - VAL A 49 HN [ 1.80 5.00] 0.00 0.00 0.00 0.04 0.11 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.13 0.00 0.00 0.00 0.19 - 6 [ 0.04 .. 0.19]
662-> ARG A 47 HN - LYS A 48 HA [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.11 - 2 [ 0.08 .. 0.11]
688-> PRO A 50 HD3 - SER A 53 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.46 .. 1.02]
696-> SER A 51 HB* - SER A 53 HN [ 1.80 5.00] 0.00 0.00 0.01 0.28 0.05 0.02 0.15 0.00 0.10 0.00 0.01 0.10 0.00 0.15 0.06 0.03 0.00 0.00 0.00 0.09 - 12 [ 0.01 .. 0.28]
702-> SER A 51 HN - ARG A 54 HD* [ 1.80 5.00] 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 0.00 0.06 - 3 [ 0.00 .. 0.25]
706-> GLU A 52 HA - GLN A 55 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 - 2 [ 0.10 .. 0.91]
738-> ALA A 56 HB* - GLU A 59 HG* [ 1.80 5.00] 0.50 0.00 0.10 0.66 0.25 1.01 0.00 0.49 0.38 0.62 0.11 0.35 0.69 0.19 0.82 0.36 0.27 0.56 0.48 0.53 - 18 [ 0.10 .. 1.01]
739-> ALA A 56 HB* - GLN A 60 HB* [ 1.80 5.00] 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.07 .. 0.14]
740-> ALA A 56 HB* - GLN A 60 HE2* [ 1.80 5.00] 0.00 0.00 0.00 1.77 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 1.77 .. 2.14]
744-> VAL A 57 HA - GLN A 60 HG* [ 1.80 5.00] 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.30 .. 0.82]
748-> VAL A 57 HG1* - GLN A 60 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.44 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 - 2 [ 0.44 .. 0.88]
753-> ALA A 58 HA - PHE A 61 HN [ 1.80 5.00] 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.45 .. 0.52]
756-> ALA A 58 HB* - PHE A 61 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.42 .. 0.44]
758-> ALA A 58 HB* - ALA A 62 HN [ 1.80 5.00] 0.00 0.00 0.00 0.21 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 - 2 [ 0.21 .. 0.22]
765-> GLU A 59 HB* - LYS A 63 HE* [ 1.80 5.00] 2.45 1.72 1.79 1.67 0.00 0.00 0.00 0.00 1.69 0.00 1.52 1.58 0.00 1.84 0.00 1.44 0.00 0.00 0.00 1.90 - 10 [ 1.44 .. 2.45]
766-> GLU A 59 HG* - ALA A 62 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.12 .. 0.12]
774-> GLN A 60 HB* - LYS A 63 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.18 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.15 .. 0.27]
780-> PHE A 61 HD* - LEU A 65 HB* [ 1.80 5.00] 0.00 1.51 0.00 0.16 0.00 0.00 0.56 0.26 0.00 0.00 0.00 0.22 0.00 0.31 0.00 0.00 0.02 0.00 0.00 0.31 - 8 [ 0.02 .. 1.51]
781-> PHE A 61 HD* - LEU A 65 HD1* [ 1.80 5.00] 0.00 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 - 1 [ 0.76 .. 0.76]
782-> PHE A 61 HE* - ALA A 64 HB* [ 1.80 5.00] 0.36 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.60 0.00 0.00 0.00 0.06 0.27 0.00 0.00 0.04 0.00 - 7 [ 0.04 .. 0.80]
783-> PHE A 61 HE* - LEU A 65 HD1* [ 1.80 5.00] 0.00 1.56 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 1.28 .. 2.31]
787-> PHE A 61 HZ - LEU A 65 HD1* [ 1.80 5.00] 0.00 3.12 0.00 0.00 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 3.12 .. 3.95]
789-> ALA A 62 HA - LEU A 65 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.35 .. 0.35]
794-> ALA A 62 HB* - LEU A 65 HD2* [ 1.80 5.00] 0.00 0.37 0.61 0.47 0.44 0.00 0.34 0.48 0.00 0.00 0.00 0.52 0.00 0.45 0.00 0.00 0.61 0.00 0.00 0.41 - 10 [ 0.34 .. 0.61]
808-> LEU A 65 HB* - SER A 68 HN [ 1.80 5.00] 0.06 0.88 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.10 0.00 0.00 0.17 0.00 0.00 0.05 0.00 0.00 0.00 0.00 - 6 [ 0.01 .. 0.88]
809-> LEU A 65 HD1* - VAL A 69 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.12 0.00 0.39 0.66 0.89 0.03 0.00 0.00 0.33 0.00 0.74 0.00 0.00 0.08 0.00 0.00 0.34 - 9 [ 0.03 .. 0.89]
812-> ALA A 66 HA - VAL A 69 HB [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.33 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 - 2 [ 0.14 .. 0.33]
813-> ALA A 66 HA - VAL A 69 HG2* [ 1.80 5.00] 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.65 .. 0.65]
814-> ALA A 66 HA - VAL A 69 HN [ 1.80 5.00] 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.25 .. 0.25]
816-> ALA A 66 HB* - VAL A 69 HB [ 1.80 5.00] 0.00 0.58 0.00 0.00 0.00 0.00 1.20 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.58 .. 1.20]
823-> SER A 68 HN - VAL A 69 HB [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 1.17 .. 1.35]
832-> LYS A 70 HA - LEU A 73 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.63 .. 1.28]
833-> SER A 71 HA - GLU A 74 HB* [ 1.80 5.00] 2.78 0.35 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 2.79 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.08 .. 2.79]
834-> SER A 71 HN - ASN A 72 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.13 0.10 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 - 4 [ 0.04 .. 0.13]
836-> SER B 5 HA - TYR B 7 HN [ 1.80 5.00] 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 0.00 0.00 0.00 0.00 - 1 [ 0.35 .. 0.35]
837-> SER B 5 HB* - TYR B 7 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.17 .. 0.17]
838-> LYS B 6 HB* - TYR B 7 HD* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 - 1 [ 1.27 .. 1.27]
839-> LYS B 6 HB* - TYR B 7 HE* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 3.01 - 4 [ 0.09 .. 3.01]
840-> LYS B 6 HD* - TYR B 7 HD* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 1.77 0.00 0.00 0.00 0.99 0.79 0.00 0.00 0.00 3.22 - 5 [ 0.09 .. 3.22]
841-> LYS B 6 HE* - TYR B 7 HD* [ 1.80 5.00] 0.56 0.30 0.91 0.00 0.81 0.00 1.15 0.84 1.54 0.99 2.53 0.00 0.81 0.00 2.14 1.65 1.46 0.95 0.00 4.27 - 15 [ 0.30 .. 4.27]
842-> TYR B 7 HB3 - VAL B 12 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.18 0.68 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 - 4 [ 0.02 .. 0.68]
843-> TYR B 7 HB2 - VAL B 12 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.40 2.01 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 - 2 [ 0.40 .. 2.01]
844-> TYR B 7 HB* - GLN B 11 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.25 1.39 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 - 3 [ 0.12 .. 1.39]
845-> TYR B 7 HD* - GLN B 11 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.04 1.15 2.30 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 - 4 [ 0.04 .. 2.30]
846-> TYR B 7 HD* - VAL B 12 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.15 0.32 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.69 0.00 0.00 - 5 [ 0.01 .. 0.69]
847-> TYR B 7 HE* - VAL B 12 HG2* [ 1.80 5.00] 0.00 0.00 0.82 1.47 1.64 1.32 1.19 0.00 0.19 0.00 0.31 0.00 0.27 0.33 0.00 2.03 0.00 2.33 1.09 0.00 - 12 [ 0.19 .. 2.33]
853-> SER B 8 HN - GLN B 11 HG* [ 1.80 5.00] 0.00 0.00 0.00 0.10 0.00 0.60 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 - 4 [ 0.10 .. 0.99]
854-> SER B 8 HN - GLN B 11 HN [ 1.80 5.00] 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 0.00 0.00 0.00 0.08 - 2 [ 0.08 .. 0.32]
855-> SER B 8 HN - VAL B 12 HG2* [ 1.80 5.00] 0.00 0.00 0.00 1.24 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.06 1.20 0.00 - 5 [ 0.06 .. 1.56]
861-> ASN B 9 HA - GLU B 13 HN [ 1.80 5.00] 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 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.12 .. 0.12]
865-> THR B 10 HA - GLU B 13 HG* [ 1.80 5.00] 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 0.00 0.00 0.00 0.00 - 1 [ 0.72 .. 0.72]
867-> THR B 10 HG2* - SER B 14 HN [ 1.80 5.00] 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 1.26 0.85 0.40 - 4 [ 0.40 .. 1.26]
871-> GLN B 11 HA - SER B 14 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.57 .. 0.57]
872-> GLN B 11 HG* - LEU B 15 HD1* [ 1.80 5.00] 0.98 1.31 1.87 0.00 2.37 0.00 1.26 0.65 1.85 1.64 2.49 0.00 3.00 0.07 1.45 0.32 1.31 1.95 2.33 1.85 - 17 [ 0.07 .. 3.00]
873-> GLN B 11 HN - VAL B 12 HG2* [ 1.80 5.00] 0.00 0.00 0.00 1.01 0.67 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 - 4 [ 0.67 .. 1.01]
875-> VAL B 12 HA - SER B 14 HN [ 1.80 5.00] 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 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.12 .. 0.12]
877-> VAL B 12 HA - LEU B 15 HD1* [ 1.80 5.00] 0.58 0.37 0.00 0.00 0.00 0.00 0.00 0.58 0.75 0.00 0.22 0.00 0.62 0.00 0.00 0.00 0.43 0.00 0.08 0.00 - 8 [ 0.08 .. 0.75]
878-> VAL B 12 HA - LEU B 15 HD2* [ 1.80 5.00] 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 - 2 [ 0.10 .. 0.49]
881-> VAL B 12 HG1* - LEU B 15 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 - 3 [ 0.10 .. 0.42]
884-> VAL B 12 HG1* - ILE B 16 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 - 1 [ 0.47 .. 0.47]
888-> VAL B 12 HN - LEU B 15 HN [ 1.80 5.00] 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.40 0.00 0.00 - 3 [ 0.02 .. 0.40]
894-> GLU B 13 HG* - ILE B 16 HG2* [ 1.80 5.00] 0.57 0.54 0.00 0.00 0.31 0.00 0.73 0.00 0.00 0.05 0.00 0.31 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 - 7 [ 0.05 .. 0.73]
902-> SER B 14 HN - ALA B 17 HB* [ 1.80 5.00] 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 - 2 [ 0.03 .. 0.15]
930-> GLU B 18 HA - VAL B 22 HN [ 1.80 5.00] 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]
931-> GLU B 18 HN - ILE B 19 HD1* [ 1.80 5.00] 0.25 0.07 0.09 0.08 0.00 0.13 0.02 0.10 0.07 0.13 0.28 0.09 0.06 0.15 0.00 0.00 0.23 0.12 0.16 0.00 - 17 [ 0.00 .. 0.28]
935-> ILE B 19 HA - VAL B 22 HB [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
940-> ILE B 19 HN - VAL B 22 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.41 0.00 0.00 0.07 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 - 3 [ 0.04 .. 0.41]
953-> VAL B 21 HG1* - LYS B 25 HE* [ 1.80 5.00] 0.00 0.35 0.41 0.00 0.09 0.31 0.08 0.12 0.00 0.00 0.20 0.00 0.27 0.28 0.25 0.55 0.25 0.21 0.00 0.28 - 14 [ 0.08 .. 0.55]
964-> VAL B 22 HG1* - HIS B 26 HD2 [ 1.80 5.00] 0.00 0.00 0.00 1.11 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.39 1.98 0.00 0.00 1.70 0.00 0.00 0.00 0.00 - 5 [ 0.39 .. 1.98]
965-> VAL B 22 HG2* - LYS B 25 HD* [ 1.80 5.00] 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 0.00 0.00 0.00 0.00 - 1 [ 0.37 .. 0.37]
966-> VAL B 22 HG2* - LYS B 25 HE* [ 1.80 5.00] 0.00 0.00 0.34 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.32 0.00 0.64 0.00 0.50 0.00 0.00 - 6 [ 0.01 .. 1.41]
971-> LEU B 23 HA - HIS B 26 HD2 [ 1.80 5.00] 0.00 0.00 0.00 0.04 2.47 0.00 0.00 0.00 0.00 0.14 0.00 2.86 1.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 - 6 [ 0.04 .. 2.93]
973-> LEU B 23 HA - LYS B 27 HN [ 1.80 5.00] 0.38 0.10 0.32 0.00 0.22 0.00 0.00 0.00 0.33 0.57 0.00 0.48 0.11 0.00 0.04 0.50 0.00 0.49 0.55 0.00 - 12 [ 0.04 .. 0.57]
976-> LEU B 23 HB2 - ALA B 28 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.87 - 4 [ 0.10 .. 0.87]
978-> LEU B 23 HB* - ALA B 28 HN [ 1.80 5.00] 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 0.00 0.00 0.00 - 1 [ 0.42 .. 0.42]
979-> LEU B 23 HD1* - ALA B 28 HB* [ 1.80 5.00] 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 0.00 0.00 0.00 0.00 0.00 0.00 0.37 - 2 [ 0.12 .. 0.37]
987-> LEU B 23 HD2* - ALA B 28 HN [ 1.80 5.00] 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.09 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.20 0.00 - 5 [ 0.01 .. 0.29]
999-> LYS B 25 HB* - HIS B 26 HD2 [ 1.80 5.00] 0.00 0.00 0.00 2.25 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.90 0.00 0.00 0.48 0.00 0.00 0.00 0.00 - 5 [ 0.46 .. 2.25]
1014-> ALA B 28 HA - LEU B 32 HD2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.86 .. 0.86]
1027-> PRO B 29 HD3 - LEU B 32 HD2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.75 .. 0.75]
1037-> THR B 30 HG2* - LEU B 34 HG [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.51 0.00 0.79 0.91 0.00 0.00 0.59 0.00 0.00 0.47 0.72 0.00 - 7 [ 0.47 .. 0.91]
1041-> ASP B 31 HA - LEU B 34 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.71 0.00 0.36 0.04 0.00 0.00 0.30 0.00 0.00 0.24 0.34 0.00 - 7 [ 0.04 .. 0.71]
1044-> ASP B 31 HB* - MET B 35 HE* [ 1.80 5.00] 0.62 0.56 0.00 1.30 0.78 0.00 0.00 0.02 0.00 0.00 0.00 0.97 0.00 0.11 1.13 0.00 0.52 0.58 0.00 0.03 - 11 [ 0.02 .. 1.30]
1048-> LEU B 32 HA - MET B 35 HE* [ 1.80 5.00] 0.73 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.94 0.00 0.00 1.11 0.00 0.00 - 5 [ 0.70 .. 1.11]
1052-> LEU B 32 HD1* - MET B 35 HE* [ 1.80 5.00] 0.52 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.11 0.00 0.46 0.00 0.00 0.65 0.00 0.00 1.00 0.25 0.00 - 7 [ 0.11 .. 1.00]
1053-> LEU B 32 HD1* - MET B 35 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.33 .. 1.33]
1054-> LEU B 32 HD1* - ALA B 36 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 - 2 [ 0.33 .. 0.56]
1055-> LEU B 32 HD1* - ALA B 36 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.18 .. 1.18]
1061-> SER B 33 HB* - LEU B 37 HD2* [ 1.80 5.00] 0.34 0.41 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 0.00 0.00 0.00 0.12 - 4 [ 0.12 .. 0.41]
1063-> SER B 33 HN - LEU B 34 HG [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.16 0.00 2.17 2.02 0.00 0.00 2.12 0.00 0.00 2.19 2.18 0.00 - 7 [ 2.02 .. 2.19]
1069-> LEU B 34 HD2* - LEU B 37 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.37 0.00 0.37 0.85 0.00 0.00 0.45 0.00 0.00 0.46 0.52 0.00 - 7 [ 0.29 .. 0.85]
1070-> LEU B 34 HD2* - LEU B 37 HD2* [ 1.80 5.00] 0.52 0.00 1.04 0.00 0.26 0.00 0.27 1.97 2.11 0.31 2.09 2.47 0.24 0.00 2.15 0.11 0.07 2.16 2.24 0.00 - 15 [ 0.07 .. 2.47]
1073-> LEU B 34 HN - LEU B 37 HB* [ 1.80 5.00] 0.31 0.19 0.05 0.00 0.17 0.00 0.11 0.07 0.14 0.35 0.11 0.55 0.00 0.08 0.07 0.00 0.00 0.23 0.25 0.05 - 15 [ 0.05 .. 0.55]
1078-> MET B 35 HG* - ASN B 39 HD2* [ 1.80 5.00] 0.26 0.86 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.23 0.00 0.03 0.17 0.36 0.00 - 8 [ 0.01 .. 0.86]
1083-> ALA B 36 HB* - ASN B 39 HB* [ 1.80 5.00] 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.21 .. 0.21]
1088-> LEU B 37 HB* - VAL B 41 HN [ 1.80 5.00] 0.00 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 - 2 [ 0.10 .. 0.21]
1089-> LEU B 37 HD1* - CYS B 40 HB* [ 1.80 5.00] 0.24 0.55 0.23 0.57 0.30 0.41 0.55 0.35 0.19 0.42 0.57 0.41 0.35 0.30 0.28 0.69 0.32 0.36 0.05 0.59 - 20 [ 0.05 .. 0.69]
1093-> GLY B 38 HA3 - VAL B 41 HG2* [ 1.80 5.00] 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.21 .. 0.21]
1099-> GLY B 38 HN - ASN B 39 HB* [ 1.80 5.00] 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 0.00 0.00 - 1 [ 0.14 .. 0.14]
1114-> CYS B 40 HA - HIS B 43 HD2 [ 1.80 5.00] 0.44 0.10 0.00 0.68 0.11 0.48 0.00 0.00 0.00 0.25 0.65 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 - 8 [ 0.10 .. 0.68]
1121-> VAL B 41 HA - LEU B 44 HB3 [ 1.80 5.00] 0.00 0.06 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 - 2 [ 0.06 .. 0.23]
1123-> VAL B 41 HA - LEU B 44 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.16 0.00 0.00 0.00 0.15 0.00 0.27 0.01 0.00 0.00 - 5 [ 0.01 .. 0.27]
1124-> VAL B 41 HA - LEU B 44 HG [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
1136-> VAL B 41 HG1* - PHE B 61 HZ [ 1.80 5.00] 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.32 .. 0.55]
1137-> VAL B 41 HG1* - LEU B 65 HD1* [ 1.80 5.00] 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 1.39 0.00 0.11 0.55 0.00 0.00 0.00 0.00 - 5 [ 0.10 .. 1.39]
1138-> VAL B 41 HG1* - LEU B 65 HD2* [ 1.80 5.00] 1.59 1.34 0.50 0.51 0.08 0.00 1.89 0.62 0.00 1.83 0.00 1.27 0.67 0.37 0.00 0.00 1.03 0.00 1.58 0.10 - 14 [ 0.08 .. 1.89]
1140-> VAL B 41 HG2* - PHE B 61 HZ [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.59 .. 1.09]
1147-> THR B 42 HG2* - GLU B 46 HG* [ 1.80 5.00] 0.57 1.87 0.00 0.00 0.85 0.00 0.84 0.00 0.00 2.15 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 - 7 [ 0.11 .. 2.15]
1148-> THR B 42 HG2* - GLU B 46 HN [ 1.80 5.00] 0.00 0.50 0.00 0.00 0.40 0.00 0.44 0.00 0.56 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 - 6 [ 0.40 .. 0.70]
1150-> HIS B 43 HA - ARG B 47 HN [ 1.80 5.00] 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 0.00 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
1151-> HIS B 43 HB* - LEU B 44 HG [ 1.80 5.00] 0.00 0.00 1.43 0.00 0.00 0.00 0.00 1.45 0.00 0.00 1.32 0.00 0.00 0.00 1.40 0.00 1.44 1.55 1.49 0.00 - 7 [ 1.32 .. 1.55]
1152-> HIS B 43 HD2 - LEU B 44 HA [ 1.80 5.00] 2.06 2.00 2.40 1.16 2.03 1.32 0.00 2.43 0.00 2.05 2.05 2.25 0.00 0.00 2.35 1.24 0.00 2.51 2.37 0.00 - 14 [ 1.16 .. 2.51]
1153-> HIS B 43 HD2 - LEU B 44 HG [ 1.80 5.00] 2.32 2.12 4.83 1.21 2.23 1.63 0.00 4.80 0.00 2.30 4.48 0.95 0.00 0.00 4.75 1.61 1.27 4.87 4.77 0.00 - 15 [ 0.95 .. 4.87]
1169-> LEU B 45 HD2* - VAL B 49 HN [ 1.80 5.00] 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 1.05 1.06 0.00 - 5 [ 0.12 .. 1.21]
1171-> LEU B 45 HD2* - ARG B 54 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.19 .. 0.19]
1172-> LEU B 45 HD2* - ARG B 54 HD* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.05 0.08 0.00 0.00 0.00 0.00 - 3 [ 0.05 .. 0.83]
1174-> LEU B 45 HD2* - ARG B 54 HN [ 1.80 5.00] 0.13 0.00 0.29 0.97 0.19 0.19 0.48 0.42 1.13 0.00 1.35 0.00 0.00 0.00 0.60 0.71 0.00 0.46 0.55 0.11 - 14 [ 0.11 .. 1.35]
1180-> GLU B 46 HA - VAL B 49 HN [ 1.80 5.00] 0.00 0.07 0.00 0.00 0.00 0.03 0.02 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.12 - 6 [ 0.02 .. 0.20]
1182-> GLU B 46 HA - ARG B 54 HD2 [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.64 .. 0.64]
1184-> GLU B 46 HG* - ARG B 54 HD* [ 1.80 5.00] 0.00 0.17 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.08 .. 0.85]
1185-> GLU B 46 HG* - ARG B 54 HE [ 1.80 5.00] 0.00 0.00 0.87 0.00 0.88 0.00 1.06 0.00 0.00 0.00 0.71 0.73 0.21 0.75 0.00 0.00 0.00 0.07 0.00 0.00 - 8 [ 0.07 .. 1.06]
1186-> GLU B 46 HG* - ARG B 54 HG* [ 1.80 5.00] 0.62 0.80 0.90 0.00 0.62 0.00 0.97 0.49 0.00 0.64 0.72 1.62 0.00 0.67 0.65 0.66 0.00 1.11 0.46 0.00 - 14 [ 0.46 .. 1.62]
1188-> ARG B 47 HA - VAL B 49 HN [ 1.80 5.00] 0.00 0.00 0.00 0.04 0.11 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.13 0.00 0.00 0.00 0.19 - 6 [ 0.04 .. 0.19]
1189-> ARG B 47 HN - LYS B 48 HA [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.11 - 2 [ 0.09 .. 0.11]
1215-> PRO B 50 HD3 - SER B 53 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.46 .. 1.02]
1223-> SER B 51 HB* - SER B 53 HN [ 1.80 5.00] 0.00 0.00 0.01 0.28 0.05 0.01 0.15 0.00 0.10 0.00 0.01 0.10 0.00 0.15 0.06 0.03 0.00 0.00 0.00 0.09 - 12 [ 0.01 .. 0.28]
1229-> SER B 51 HN - ARG B 54 HD* [ 1.80 5.00] 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 0.00 0.06 - 3 [ 0.00 .. 0.25]
1233-> GLU B 52 HA - GLN B 55 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 - 2 [ 0.10 .. 0.91]
1265-> ALA B 56 HB* - GLU B 59 HG* [ 1.80 5.00] 0.50 0.00 0.10 0.66 0.25 1.01 0.00 0.49 0.38 0.62 0.11 0.35 0.69 0.19 0.82 0.36 0.27 0.56 0.48 0.53 - 18 [ 0.10 .. 1.01]
1266-> ALA B 56 HB* - GLN B 60 HB* [ 1.80 5.00] 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.07 .. 0.13]
1267-> ALA B 56 HB* - GLN B 60 HE2* [ 1.80 5.00] 0.00 0.00 0.00 1.77 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 1.77 .. 2.14]
1271-> VAL B 57 HA - GLN B 60 HG* [ 1.80 5.00] 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.30 .. 0.82]
1275-> VAL B 57 HG1* - GLN B 60 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.44 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 - 2 [ 0.44 .. 0.88]
1280-> ALA B 58 HA - PHE B 61 HN [ 1.80 5.00] 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.45 .. 0.52]
1283-> ALA B 58 HB* - PHE B 61 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.42 .. 0.44]
1285-> ALA B 58 HB* - ALA B 62 HN [ 1.80 5.00] 0.00 0.00 0.00 0.21 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 - 2 [ 0.21 .. 0.22]
1292-> GLU B 59 HB* - LYS B 63 HE* [ 1.80 5.00] 2.45 1.72 1.79 1.67 0.00 0.00 0.00 0.00 1.69 0.00 1.52 1.58 0.00 1.84 0.00 1.44 0.00 0.00 0.00 1.90 - 10 [ 1.44 .. 2.45]
1293-> GLU B 59 HG* - ALA B 62 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.12 .. 0.12]
1301-> GLN B 60 HB* - LYS B 63 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.18 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.15 .. 0.27]
1307-> PHE B 61 HD* - LEU B 65 HB* [ 1.80 5.00] 0.00 1.51 0.00 0.16 0.00 0.00 0.56 0.26 0.00 0.00 0.00 0.22 0.00 0.31 0.00 0.00 0.02 0.00 0.00 0.31 - 8 [ 0.02 .. 1.51]
1308-> PHE B 61 HD* - LEU B 65 HD1* [ 1.80 5.00] 0.00 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 - 1 [ 0.76 .. 0.76]
1309-> PHE B 61 HE* - ALA B 64 HB* [ 1.80 5.00] 0.36 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.60 0.00 0.00 0.00 0.06 0.27 0.00 0.00 0.04 0.00 - 7 [ 0.04 .. 0.80]
1310-> PHE B 61 HE* - LEU B 65 HD1* [ 1.80 5.00] 0.00 1.56 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 1.28 .. 2.31]
1314-> PHE B 61 HZ - LEU B 65 HD1* [ 1.80 5.00] 0.00 3.12 0.00 0.00 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 3.12 .. 3.95]
1316-> ALA B 62 HA - LEU B 65 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.35 .. 0.35]
1321-> ALA B 62 HB* - LEU B 65 HD2* [ 1.80 5.00] 0.00 0.37 0.61 0.47 0.44 0.00 0.34 0.48 0.00 0.00 0.00 0.52 0.00 0.45 0.00 0.00 0.61 0.00 0.00 0.41 - 10 [ 0.34 .. 0.61]
1335-> LEU B 65 HB* - SER B 68 HN [ 1.80 5.00] 0.05 0.88 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.09 0.00 0.00 0.17 0.00 0.00 0.05 0.00 0.00 0.00 0.00 - 6 [ 0.01 .. 0.88]
1336-> LEU B 65 HD1* - VAL B 69 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.12 0.00 0.39 0.65 0.89 0.03 0.00 0.00 0.33 0.00 0.74 0.00 0.00 0.07 0.00 0.00 0.34 - 9 [ 0.03 .. 0.89]
1339-> ALA B 66 HA - VAL B 69 HB [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.33 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 - 2 [ 0.14 .. 0.33]
1340-> ALA B 66 HA - VAL B 69 HG2* [ 1.80 5.00] 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.65 .. 0.65]
1341-> ALA B 66 HA - VAL B 69 HN [ 1.80 5.00] 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.25 .. 0.25]
1343-> ALA B 66 HB* - VAL B 69 HB [ 1.80 5.00] 0.00 0.58 0.00 0.00 0.00 0.00 1.20 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.58 .. 1.20]
1350-> SER B 68 HN - VAL B 69 HB [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 1.17 .. 1.35]
1359-> LYS B 70 HA - LEU B 73 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.63 .. 1.28]
1360-> SER B 71 HA - GLU B 74 HB* [ 1.80 5.00] 2.78 0.35 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 2.79 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.08 .. 2.79]
1361-> SER B 71 HN - ASN B 72 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.13 0.10 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 - 4 [ 0.04 .. 0.13]
1363-> GLU A 13 HN - ASN A 9 O [ 1.70 2.30] 0.00 0.00 0.00 0.05 0.49 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.46 1.01 - 6 [ 0.05 .. 1.63]
1364-> GLU A 13 N - ASN A 9 O [ 2.70 3.30] 0.00 0.00 0.00 0.00 0.10 0.00 1.31 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.24 0.78 - 6 [ 0.10 .. 1.31]
1365-> SER A 14 HN - THR A 10 O [ 1.70 2.30] 0.00 0.00 0.00 0.00 0.42 0.00 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.88 0.74 0.00 - 6 [ 0.25 .. 0.88]
1366-> SER A 14 N - THR A 10 O [ 2.70 3.30] 0.00 0.00 0.00 0.00 0.37 0.00 0.78 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.72 0.70 0.00 - 6 [ 0.19 .. 0.78]
1367-> LEU A 15 HN - GLN A 11 O [ 1.70 2.30] 0.00 0.00 0.87 0.00 0.00 0.00 0.00 1.70 0.71 0.00 0.00 0.00 0.71 0.00 0.00 0.04 0.00 1.75 0.39 0.00 - 7 [ 0.04 .. 1.75]
1368-> LEU A 15 N - GLN A 11 O [ 2.70 3.30] 0.00 0.00 0.78 0.00 0.00 0.00 0.00 1.33 0.58 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 1.52 0.27 0.00 - 6 [ 0.27 .. 1.52]
1371-> ALA A 17 HN - GLU A 13 O [ 1.70 2.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.02 - 2 [ 0.02 .. 0.20]
1372-> ALA A 17 N - GLU A 13 O [ 2.70 3.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
1373-> GLU A 18 HN - SER A 14 O [ 1.70 2.30] 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.22 0.41 0.00 1.14 0.00 0.00 - 5 [ 0.22 .. 1.14]
1374-> GLU A 18 N - SER A 14 O [ 2.70 3.30] 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.01 0.33 0.00 1.03 0.00 0.00 - 5 [ 0.01 .. 1.03]
1379-> VAL A 21 HN - ALA A 17 O [ 1.70 2.30] 0.00 0.00 0.00 0.34 0.06 0.00 0.21 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 - 4 [ 0.06 .. 0.34]
1380-> VAL A 21 N - ALA A 17 O [ 2.70 3.30] 0.00 0.00 0.00 0.06 0.00 0.00 0.04 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 - 3 [ 0.04 .. 0.15]
1381-> VAL A 22 HN - GLU A 18 O [ 1.70 2.30] 0.00 0.00 0.00 0.72 0.04 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.09 0.00 0.11 0.00 0.00 0.00 - 6 [ 0.04 .. 0.72]
1382-> VAL A 22 N - GLU A 18 O [ 2.70 3.30] 0.00 0.00 0.00 0.58 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.02 .. 0.58]
1383-> LEU A 23 HN - ILE A 19 O [ 1.70 2.30] 0.00 0.00 0.00 0.41 0.00 0.00 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 - 2 [ 0.17 .. 0.41]
1384-> LEU A 23 N - ILE A 19 O [ 2.70 3.30] 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.08 .. 0.34]
1385-> GLU A 24 HN - LEU A 20 O [ 1.70 2.30] 0.44 0.00 0.00 0.00 0.00 0.08 0.00 0.06 0.52 0.19 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 - 7 [ 0.01 .. 0.52]
1386-> GLU A 24 N - LEU A 20 O [ 2.70 3.30] 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 - 4 [ 0.09 .. 0.34]
1388-> LYS A 25 N - VAL A 21 O [ 2.70 3.30] 0.00 0.05 0.00 0.00 0.05 0.01 0.07 0.11 0.00 0.09 0.14 0.10 0.00 0.00 0.00 0.00 0.15 0.02 0.02 0.13 - 13 [ 0.00 .. 0.15]
1393-> LEU A 37 HN - SER A 33 O [ 1.70 2.30] 0.62 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.01 .. 0.62]
1394-> LEU A 37 N - SER A 33 O [ 2.70 3.30] 0.55 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.16 .. 0.55]
1399-> VAL A 41 HN - LEU A 37 O [ 1.70 2.30] 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 - 2 [ 0.23 .. 0.26]
1400-> VAL A 41 N - LEU A 37 O [ 2.70 3.30] 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 - 2 [ 0.14 .. 0.18]
1403-> GLN A 60 HN - ALA A 56 O [ 1.70 2.30] 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.08 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 - 4 [ 0.04 .. 0.19]
1404-> GLN A 60 N - ALA A 56 O [ 2.70 3.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.10 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 - 4 [ 0.02 .. 0.13]
1405-> PHE A 61 HN - VAL A 57 O [ 1.70 2.30] 0.00 0.00 0.00 0.54 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 - 2 [ 0.54 .. 0.79]
1406-> PHE A 61 N - VAL A 57 O [ 2.70 3.30] 0.00 0.00 0.08 0.09 0.06 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 - 5 [ 0.00 .. 0.29]
1407-> ALA A 62 HN - ALA A 58 O [ 1.70 2.30] 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 1.47 .. 1.58]
1408-> ALA A 62 N - ALA A 58 O [ 2.70 3.30] 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.01 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.01 .. 1.23]
1415-> ALA A 66 HN - ALA A 62 O [ 1.70 2.30] 0.00 0.00 0.00 0.06 0.00 0.00 0.31 0.23 0.00 0.00 0.00 0.00 0.23 0.23 0.00 0.00 0.00 0.00 0.00 0.32 - 6 [ 0.06 .. 0.32]
1416-> ALA A 66 N - ALA A 62 O [ 2.70 3.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.18 0.00 0.00 0.00 0.00 0.22 0.19 0.00 0.00 0.00 0.00 0.00 0.28 - 5 [ 0.18 .. 0.28]
1417-> GLN A 67 HN - LYS A 63 O [ 1.70 2.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 - 1 [ 0.19 .. 0.19]
1421-> VAL A 69 HN - LEU A 65 O [ 1.70 2.30] 0.00 1.34 0.00 0.00 0.00 0.29 0.34 0.26 0.14 0.00 0.00 0.03 0.08 0.36 0.00 0.38 0.00 0.00 0.12 0.00 - 10 [ 0.03 .. 1.34]
1422-> VAL A 69 N - LEU A 65 O [ 2.70 3.30] 0.00 0.88 0.00 0.00 0.00 0.18 0.25 0.06 0.04 0.00 0.00 0.00 0.01 0.21 0.00 0.15 0.00 0.00 0.00 0.00 - 9 [ 0.00 .. 0.88]
1423-> GLU B 13 HN - ASN B 9 O [ 1.70 2.30] 0.00 0.00 0.00 0.05 0.49 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.46 1.01 - 6 [ 0.05 .. 1.63]
1424-> GLU B 13 N - ASN B 9 O [ 2.70 3.30] 0.00 0.00 0.00 0.00 0.10 0.00 1.32 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.24 0.78 - 6 [ 0.10 .. 1.32]
1425-> SER B 14 HN - THR B 10 O [ 1.70 2.30] 0.00 0.00 0.00 0.00 0.42 0.00 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.89 0.74 0.00 - 6 [ 0.25 .. 0.89]
1426-> SER B 14 N - THR B 10 O [ 2.70 3.30] 0.00 0.00 0.00 0.00 0.37 0.00 0.78 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.72 0.70 0.00 - 6 [ 0.19 .. 0.78]
1427-> LEU B 15 HN - GLN B 11 O [ 1.70 2.30] 0.00 0.00 0.87 0.00 0.00 0.00 0.00 1.71 0.72 0.00 0.00 0.00 0.71 0.00 0.00 0.04 0.00 1.75 0.39 0.00 - 7 [ 0.04 .. 1.75]
1428-> LEU B 15 N - GLN B 11 O [ 2.70 3.30] 0.00 0.00 0.78 0.00 0.00 0.00 0.00 1.33 0.58 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 1.52 0.26 0.00 - 6 [ 0.26 .. 1.52]
1431-> ALA B 17 HN - GLU B 13 O [ 1.70 2.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.02 - 2 [ 0.02 .. 0.20]
1432-> ALA B 17 N - GLU B 13 O [ 2.70 3.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
1433-> GLU B 18 HN - SER B 14 O [ 1.70 2.30] 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.22 0.41 0.00 1.14 0.00 0.00 - 5 [ 0.22 .. 1.14]
1434-> GLU B 18 N - SER B 14 O [ 2.70 3.30] 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.01 0.33 0.00 1.03 0.00 0.00 - 5 [ 0.01 .. 1.03]
1439-> VAL B 21 HN - ALA B 17 O [ 1.70 2.30] 0.00 0.00 0.00 0.34 0.06 0.00 0.21 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 - 4 [ 0.06 .. 0.34]
1440-> VAL B 21 N - ALA B 17 O [ 2.70 3.30] 0.00 0.00 0.00 0.06 0.00 0.00 0.04 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 - 3 [ 0.04 .. 0.15]
1441-> VAL B 22 HN - GLU B 18 O [ 1.70 2.30] 0.00 0.00 0.00 0.72 0.04 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.09 0.00 0.11 0.00 0.00 0.00 - 6 [ 0.04 .. 0.72]
1442-> VAL B 22 N - GLU B 18 O [ 2.70 3.30] 0.00 0.00 0.00 0.58 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.02 .. 0.58]
1443-> LEU B 23 HN - ILE B 19 O [ 1.70 2.30] 0.00 0.00 0.00 0.41 0.00 0.00 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 - 2 [ 0.17 .. 0.41]
1444-> LEU B 23 N - ILE B 19 O [ 2.70 3.30] 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.08 .. 0.35]
1445-> GLU B 24 HN - LEU B 20 O [ 1.70 2.30] 0.44 0.00 0.00 0.00 0.00 0.08 0.00 0.06 0.52 0.19 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 - 7 [ 0.01 .. 0.52]
1446-> GLU B 24 N - LEU B 20 O [ 2.70 3.30] 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 - 4 [ 0.09 .. 0.34]
1448-> LYS B 25 N - VAL B 21 O [ 2.70 3.30] 0.00 0.05 0.00 0.00 0.05 0.01 0.07 0.11 0.00 0.09 0.14 0.10 0.00 0.00 0.00 0.00 0.15 0.02 0.02 0.14 - 13 [ 0.00 .. 0.15]
1453-> LEU B 37 HN - SER B 33 O [ 1.70 2.30] 0.62 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.01 .. 0.62]
1454-> LEU B 37 N - SER B 33 O [ 2.70 3.30] 0.55 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.16 .. 0.55]
1459-> VAL B 41 HN - LEU B 37 O [ 1.70 2.30] 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 - 2 [ 0.23 .. 0.26]
1460-> VAL B 41 N - LEU B 37 O [ 2.70 3.30] 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 - 2 [ 0.14 .. 0.18]
1461-> ALA B 58 HN - ARG B 54 O [ 1.70 2.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
1465-> GLN B 60 HN - ALA B 56 O [ 1.70 2.30] 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.08 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 - 4 [ 0.04 .. 0.19]
1466-> GLN B 60 N - ALA B 56 O [ 2.70 3.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.10 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 - 4 [ 0.02 .. 0.13]
1467-> PHE B 61 HN - VAL B 57 O [ 1.70 2.30] 0.00 0.00 0.00 0.54 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 - 2 [ 0.54 .. 0.79]
1468-> PHE B 61 N - VAL B 57 O [ 2.70 3.30] 0.00 0.00 0.08 0.09 0.07 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 - 5 [ 0.00 .. 0.29]
1469-> ALA B 62 HN - ALA B 58 O [ 1.70 2.30] 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 1.47 .. 1.58]
1470-> ALA B 62 N - ALA B 58 O [ 2.70 3.30] 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.01 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.01 .. 1.23]
1477-> ALA B 66 HN - ALA B 62 O [ 1.70 2.30] 0.00 0.00 0.00 0.06 0.00 0.00 0.31 0.23 0.00 0.00 0.00 0.00 0.23 0.23 0.00 0.00 0.00 0.00 0.00 0.32 - 6 [ 0.06 .. 0.32]
1478-> ALA B 66 N - ALA B 62 O [ 2.70 3.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.18 0.00 0.00 0.00 0.00 0.22 0.19 0.00 0.00 0.00 0.00 0.00 0.27 - 5 [ 0.18 .. 0.28]
1479-> GLN B 67 HN - LYS B 63 O [ 1.70 2.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 - 1 [ 0.19 .. 0.19]
1483-> VAL B 69 HN - LEU B 65 O [ 1.70 2.30] 0.00 1.34 0.00 0.00 0.00 0.29 0.34 0.26 0.14 0.00 0.00 0.03 0.08 0.36 0.00 0.38 0.00 0.00 0.12 0.00 - 10 [ 0.03 .. 1.34]
1484-> VAL B 69 N - LEU B 65 O [ 2.70 3.30] 0.00 0.88 0.00 0.00 0.00 0.18 0.25 0.06 0.04 0.00 0.00 0.00 0.01 0.21 0.00 0.15 0.00 0.00 0.00 0.00 - 9 [ 0.00 .. 0.88]
-------------------------------------------
Number of Violations greater than 0.10 108 130 86 124 114 86 162 118 81 80 130 133 104 90 124 108 68 126 110 124
-------------------------------------------
---- 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: 12 14 2 14 11 22 18 20 21 14 20 7 12 14 20 18 8 8 12 20 14.35
0.2 - 0.5 ang: 28 36 32 36 39 18 40 32 18 20 28 32 30 28 34 20 24 38 28 38 29.95
> 0.5 ang: 68 80 52 74 64 46 104 66 42 46 82 94 62 48 70 70 36 80 70 66 66.00
Total : 114 154 106 146 140 110 186 140 106 98 146 164 124 102 156 126 78 146 130 144 130.80
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 : 2.783 3.322 4.834 2.940 2.741 2.487 5.322 4.799 2.156 3.003 4.482 2.862 4.499 4.423 4.938 3.852 1.975 4.873 4.772 4.269 5.322
Max Inter Viol : 2.754 3.322 2.650 2.940 2.741 2.487 5.322 2.542 1.427 3.003 4.055 2.782 4.499 4.423 4.938 3.852 1.975 2.400 2.602 4.185 5.322
Max Seque Viol : 2.323 2.121 4.834 2.246 2.227 1.628 1.350 4.799 2.156 2.306 4.482 2.249 0.905 0.152 4.748 1.651 1.457 4.873 4.772 4.269 4.873
Max Medium Viol : 2.783 3.123 1.871 1.768 2.468 1.328 3.952 1.970 2.110 2.154 2.794 2.862 3.328 1.838 2.155 2.930 1.309 2.157 2.333 1.902 3.952
Max Long Viol : 1.587 1.341 0.905 1.468 1.635 1.318 2.011 0.623 1.132 1.827 1.346 1.620 1.392 0.747 0.655 2.032 1.029 2.329 1.579 0.874 2.329
Average Violation : 0.057 0.083 0.057 0.067 0.062 0.041 0.117 0.068 0.037 0.051 0.091 0.091 0.069 0.059 0.079 0.067 0.035 0.084 0.071 0.100 0.06929
Avge Inter Viol : 0.129 0.210 0.116 0.123 0.127 0.092 0.293 0.119 0.046 0.132 0.219 0.208 0.158 0.227 0.196 0.177 0.101 0.149 0.144 0.319 0.16422
Avge Seque Viol : 0.150 0.220 0.099 0.208 0.153 0.099 0.287 0.171 0.149 0.090 0.130 0.243 0.210 0.059 0.123 0.119 0.046 0.217 0.149 0.112 0.15172
Avge Mediu Viol : 0.012 0.011 0.023 0.014 0.015 0.007 0.008 0.030 0.009 0.013 0.037 0.014 0.004 0.001 0.034 0.013 0.010 0.029 0.027 0.028 0.01693
Avge Long Viol : 0.040 0.042 0.075 0.062 0.076 0.045 0.159 0.026 0.026 0.043 0.087 0.088 0.064 0.047 0.024 0.078 0.018 0.081 0.067 0.025 0.05863
RMS Violation : 0.276 0.363 0.315 0.287 0.285 0.209 0.491 0.332 0.204 0.288 0.414 0.370 0.367 0.345 0.398 0.326 0.198 0.369 0.348 0.493 0.34329
RMS Inter : 0.397 0.607 0.427 0.434 0.413 0.337 0.866 0.417 0.202 0.493 0.616 0.591 0.609 0.730 0.646 0.565 0.353 0.443 0.459 0.918 0.55378
RMS Sequential : 0.434 0.540 0.322 0.442 0.433 0.286 0.678 0.398 0.398 0.311 0.473 0.555 0.613 0.219 0.340 0.398 0.170 0.497 0.410 0.324 0.43005
RMS Medium range : 0.153 0.142 0.273 0.144 0.158 0.102 0.093 0.298 0.128 0.157 0.313 0.155 0.059 0.008 0.307 0.134 0.117 0.298 0.290 0.303 0.20363
RMS Long range : 0.224 0.207 0.223 0.246 0.277 0.198 0.469 0.117 0.152 0.254 0.272 0.319 0.233 0.166 0.118 0.311 0.135 0.356 0.270 0.126 0.24929
Final --global-- Summary for 20 models, 1484 NOEs/model, 29680 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 2056.442
Summ sq. viol : 3497.692
Maximum viol : 5.322
Average viol : 0.06929
RMSD viol : 0.34329
Std. Dev. viol : 0.33622
RMS Inter : 0.55378
RMS Seque : 0.43005
RMS Medi : 0.20363
RMS Long : 0.24929
table of dihedral angle constraints violations
1-> [ASN A 9] PHI -89.2 -29.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.3 - 1 [ 0.0 .. 10.3]
2-> [ASN A 9] PSI -78.4 1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.7 - 1 [ 0.0 .. 3.7]
3-> [THR A 10] PHI -94.4 -34.4 0.0 0.0 0.0 0.0 0.1 0.0 0.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.7 0.0 20.9 - 4 [ 0.0 .. 20.9]
7-> [VAL A 12] PHI -93.9 -33.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 11.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 11.9]
13-> [LEU A 15] PHI -96.2 -36.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.5 0.0 0.0 - 1 [ 0.0 .. 1.5]
73-> [ARG A 47] PHI -107.7 -47.7 2.4 0.0 1.8 0.0 1.2 0.0 0.0 0.0 7.5 7.0 0.0 5.0 0.0 0.0 0.0 0.0 7.4 0.0 0.0 0.0 - 7 [ 0.0 .. 7.5]
77-> [VAL A 49] PHI -123.7 -63.7 4.1 0.0 0.9 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 7.9 6.6 4.9 0.0 - 5 [ 0.0 .. 7.9]
97-> [GLU A 59] PHI -94.2 -34.2 0.0 0.0 0.0 4.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 6.1]
113-> [GLN A 67] PHI -92.8 -32.8 0.0 28.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 28.2]
117-> [VAL A 69] PHI -95.9 -35.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 4.8]
121-> [SER A 71] PHI -93.3 -33.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.4]
123-> [ASN A 72] PHI -94.2 -34.2 29.6 15.9 0.0 21.0 24.7 4.4 1.5 0.0 22.3 0.0 15.8 0.0 0.0 0.0 0.0 17.3 1.2 0.0 0.0 20.6 - 11 [ 0.0 .. 29.6]
124-> [ASN A 72] PSI -84.2 -4.2 46.4 26.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 31.4 0.0 0.0 0.0 0.0 25.2 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 46.4]
125-> [LEU A 73] PHI -100.9 -40.9 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 0.0 19.4 4.3 0.0 8.7 0.0 - 3 [ 0.0 .. 19.4]
126-> [LEU A 73] PSI -72.2 7.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.6 0.0 0.0 0.0 - 1 [ 0.0 .. 4.6]
127-> [ASN B 9] PHI -89.2 -29.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.4 - 1 [ 0.0 .. 10.4]
128-> [ASN B 9] PSI -78.4 1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.7 - 1 [ 0.0 .. 3.7]
129-> [THR B 10] PHI -94.4 -34.4 0.0 0.0 0.0 0.0 0.0 0.0 0.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.7 0.0 20.8 - 4 [ 0.0 .. 20.8]
133-> [VAL B 12] PHI -93.9 -33.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 12.0 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 .. 12.0]
139-> [LEU B 15] PHI -96.2 -36.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.5 0.0 0.0 - 1 [ 0.0 .. 1.5]
199-> [ARG B 47] PHI -107.7 -47.7 2.4 0.0 1.9 0.0 1.1 0.0 0.0 0.0 7.6 7.0 0.0 5.1 0.0 0.0 0.0 0.0 7.3 0.0 0.0 0.0 - 7 [ 0.0 .. 7.6]
203-> [VAL B 49] PHI -123.7 -63.7 4.1 0.0 0.9 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 8.0 6.6 5.0 0.0 - 5 [ 0.0 .. 8.0]
223-> [GLU B 59] PHI -94.2 -34.2 0.0 0.0 0.0 4.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 6.1]
237-> [ALA B 66] PHI -95.2 -35.2 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.0]
239-> [GLN B 67] PHI -92.8 -32.8 0.0 28.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 28.1]
243-> [VAL B 69] PHI -95.9 -35.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 4.8]
247-> [SER B 71] PHI -93.3 -33.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.3]
249-> [ASN B 72] PHI -94.2 -34.2 29.6 15.9 0.0 20.9 24.7 4.3 1.5 0.0 22.2 0.0 15.8 0.0 0.0 0.0 0.0 17.3 1.2 0.0 0.0 20.6 - 11 [ 0.0 .. 29.6]
250-> [ASN B 72] PSI -84.2 -4.2 46.4 26.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 31.5 0.0 0.0 0.0 0.0 25.1 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 46.4]
251-> [LEU B 73] PHI -100.9 -40.9 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 0.0 19.2 4.1 0.0 8.7 0.0 - 3 [ 0.0 .. 19.2]
---- ACOSummary Of Residual ACO Constraint Violations ----
Mod 1 Mod 2 Mod 3 Mod 4 Mod 5 Mod 6 Mod 7 Mod 8 Mod 9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20 Averages
~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~~~~~~
1 - 10. degrees : 4 1 2 2 2 2 2 2 2 2 0 6 0 0 0 0 9 6 4 2 2.40
> 10. degrees : 4 6 0 2 2 0 0 2 2 0 4 0 0 0 0 6 0 0 0 6 1.70
Total : 8 8 4 4 6 2 4 4 4 2 4 6 0 0 0 6 9 6 4 8 4.45
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 : 46.4 28.2 1.9 21.0 24.7 4.4 1.5 12.0 22.3 7.0 31.5 6.1 0.0 0.0 0.0 25.2 8.0 7.7 8.7 20.9 46.37
Max PHI Viol : 29.6 28.2 1.9 21.0 24.7 4.4 1.5 12.0 22.3 7.0 15.8 6.1 0.0 0.0 0.0 19.4 8.0 7.7 8.7 20.9 29.59
Max PSI Viol : 46.4 26.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 31.5 0.0 0.0 0.0 0.0 25.2 4.6 0.0 0.0 3.7 46.37
Average Violation : 0.7 0.6 0.0 0.2 0.2 0.0 0.0 0.1 0.2 0.1 0.4 0.1 0.0 0.0 0.0 0.5 0.2 0.1 0.1 0.4 0.199
Avge PHI Viol : 0.756 0.846 0.207 0.638 0.641 0.263 0.185 0.516 0.688 0.333 0.501 0.481 0.000 0.000 0.000 0.762 0.574 0.501 0.466 0.907 0.538
Avge PSI Viol : 0.861 0.646 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.709 0.000 0.000 0.000 0.000 0.634 0.192 0.000 0.000 0.244 0.329
RMS Violation : 4.927 3.707 0.181 1.917 2.207 0.388 0.145 1.152 2.099 0.624 3.143 0.770 0.000 0.000 0.000 3.221 1.083 0.917 0.894 2.795 2.054
RMS PHI Viol : 3.774 4.074 0.255 2.705 3.116 0.548 0.205 1.625 2.962 0.881 1.993 1.087 0.000 0.000 0.000 3.262 1.473 1.294 1.261 3.917 2.203
RMS PSI Viol : 5.865 3.296 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 3.979 0.000 0.000 0.000 0.000 3.179 0.411 0.000 0.000 0.472 1.892
Final --global-- Summary for 20 models, 251 ACOs/model, 5020 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 998.81
Summ. Sq. Viol. : 21175.07
Max. Viol. : 46.369
Avg. Viol. : 0.19897
RMS Viol. : 2.05381
Std. Dev. Viol. : 2.04415
JPEG image for inter-residue distance constraints per residue plot
S(phi)|S(psi) V/S Residue number
Text output from PDBStat of phi psi order
# CHAIN .GT. SUM.GT.
# RES ID DIH S(phi) S(psi) S(chi1) S(chi2) S(chi3) S(chi4) S(chi5) 0.90 1.6
# -----------------------------------------------------------------------------------
MET M 1 0.641 0.743 0.518 0.407
ALA M 2 0.587 0.257
ILE M 3 0.840 0.258 0.645 0.918
GLN M 4 0.571 0.342 0.576 0.318 0.698
SER M 5 0.481 0.358 0.214
LYS M 6 0.497 0.758 0.657 0.998 0.997 0.921
TYR M 7 0.594 0.824 0.573 0.988
SER M 8 0.833 0.938 0.653 8
ASN M 9 0.983 0.980 0.888 0.914 9 9
THR M 10 0.969 0.990 0.707 10 10
GLN M 11 0.992 0.993 0.774 0.557 0.751 11 11
VAL M 12 0.983 0.977 0.714 12 12
GLU M 13 0.997 0.993 0.670 1.000 1.000 13 13
SER M 14 0.996 0.989 0.282 14 14
LEU M 15 0.981 0.995 0.796 0.802 15 15
ILE M 16 0.998 0.998 1.000 0.999 16 16
ALA M 17 0.999 0.997 17 17
GLU M 18 0.993 0.996 0.999 0.558 0.765 18 18
ILE M 19 0.999 0.999 1.000 1.000 19 19
LEU M 20 0.999 0.999 0.994 0.918 20 20
VAL M 21 0.999 0.999 1.000 21 21
VAL M 22 0.997 0.997 0.921 22 22
LEU M 23 0.998 0.996 0.999 0.999 23 23
GLU M 24 0.993 0.994 0.999 0.925 0.983 24 24
LYS M 25 0.997 0.996 0.821 0.929 0.999 0.997 25 25
HIS M 26 0.989 0.978 0.886 0.610 26 26
LYS M 27 0.993 0.943 1.000 1.000 1.000 1.000 27 27
ALA M 28 0.918 0.968 28 28
PRO M 29 0.995 0.986 0.939 0.889 29 29
THR M 30 0.998 0.999 0.999 30 30
ASP M 31 0.998 0.996 1.000 1.000 31 31
LEU M 32 0.994 0.991 0.880 0.911 32 32
SER M 33 0.994 0.995 0.826 33 33
LEU M 34 0.994 0.995 0.628 0.638 34 34
MET M 35 0.997 0.990 0.669 0.454 0.204 35 35
ALA M 36 0.998 0.998 36 36
LEU M 37 0.999 0.998 0.999 0.999 37 37
GLY M 38 0.995 0.995 38 38
ASN M 39 0.993 0.994 0.999 0.946 39 39
CYS M 40 0.997 0.998 0.831 40 40
VAL M 41 0.996 0.998 1.000 41 41
THR M 42 0.993 0.983 0.591 42 42
HIS M 43 0.989 0.984 0.568 0.027 43 43
LEU M 44 0.998 0.994 0.606 0.611 44 44
LEU M 45 0.994 0.991 0.931 0.696 45 45
GLU M 46 0.979 0.950 0.280 0.998 0.955 46 46
ARG M 47 0.988 0.940 0.732 0.736 0.989 0.997 1.000 47 47
LYS M 48 0.979 0.945 0.998 0.930 0.998 0.998 48 48
VAL M 49 0.941 0.999 1.000 49 49
PRO M 50 0.990 0.994 0.903 0.819 50 50
SER M 51 0.993 0.978 1.000 51 51
GLU M 52 0.995 0.995 0.786 0.942 0.999 52 52
SER M 53 0.982 0.992 0.773 53 53
ARG M 54 0.998 0.993 0.720 0.996 0.640 0.988 0.998 54 54
GLN M 55 0.998 0.995 0.871 0.676 0.934 55 55
ALA M 56 0.997 0.998 56 56
VAL M 57 0.999 0.999 1.000 57 57
ALA M 58 0.999 0.998 58 58
GLU M 59 0.983 0.992 0.587 0.995 0.962 59 59
GLN M 60 0.997 0.995 0.823 0.647 0.913 60 60
PHE M 61 0.998 0.995 0.809 0.899 61 61
ALA M 62 0.998 0.998 62 62
LYS M 63 0.996 0.992 0.590 0.999 0.998 0.998 63 63
ALA M 64 0.999 0.999 64 64
LEU M 65 0.999 0.993 0.688 0.567 65 65
ALA M 66 0.991 0.993 66 66
GLN M 67 0.980 0.992 0.622 0.173 0.800 67 67
SER M 68 0.997 0.993 0.152 68 68
VAL M 69 0.991 0.991 0.838 69 69
LYS M 70 0.992 0.988 0.596 0.999 0.999 1.000 70 70
SER M 71 0.988 0.989 0.749 71 71
ASN M 72 0.947 0.902 0.996 0.908 72 72
LEU M 73 0.967 0.926 0.549 0.624 73 73
GLU M 74 0.393 0.274 0.541 0.999 0.937
HIS M 75 0.503 0.406 0.384 0.376
HIS M 76 0.395 0.389 0.485 0.300
HIS M 77 0.437 0.452 0.571 0.476
HIS M 78 0.587 0.044 0.413 0.564
HIS M 79 0.667 0.140 0.547 0.660
HIS M 80 0.865 0.299 0.632 0.469
MET M 91 0.275 0.640 0.743 0.518 0.407
ALA M 92 0.587 0.257
ILE M 93 0.840 0.258 0.645 0.918
GLN M 94 0.571 0.342 0.576 0.318 0.698
SER M 95 0.481 0.358 0.213
LYS M 96 0.497 0.758 0.657 0.998 0.997 0.921
TYR M 97 0.595 0.824 0.573 0.988
SER M 98 0.833 0.938 0.652 98
ASN M 99 0.983 0.980 0.888 0.914 99 99
THR M 100 0.969 0.990 0.707 100 100
GLN M 101 0.992 0.993 0.774 0.556 0.751 101 101
VAL M 102 0.983 0.976 0.714 102 102
GLU M 103 0.997 0.993 0.670 1.000 1.000 103 103
SER M 104 0.996 0.989 0.282 104 104
LEU M 105 0.981 0.995 0.796 0.803 105 105
ILE M 106 0.998 0.998 1.000 0.999 106 106
ALA M 107 0.999 0.997 107 107
GLU M 108 0.993 0.996 0.999 0.558 0.765 108 108
ILE M 109 0.999 0.999 1.000 1.000 109 109
LEU M 110 0.999 0.999 0.994 0.918 110 110
VAL M 111 0.999 0.999 1.000 111 111
VAL M 112 0.997 0.997 0.921 112 112
LEU M 113 0.998 0.996 0.999 0.999 113 113
GLU M 114 0.993 0.994 0.999 0.925 0.983 114 114
LYS M 115 0.997 0.996 0.821 0.929 0.999 0.997 115 115
HIS M 116 0.989 0.978 0.886 0.610 116 116
LYS M 117 0.993 0.943 1.000 1.000 1.000 1.000 117 117
ALA M 118 0.918 0.968 118 118
PRO M 119 0.995 0.986 0.939 0.889 119 119
THR M 120 0.998 0.999 0.999 120 120
ASP M 121 0.998 0.996 1.000 1.000 121 121
LEU M 122 0.994 0.991 0.880 0.911 122 122
SER M 123 0.994 0.995 0.826 123 123
LEU M 124 0.994 0.995 0.628 0.638 124 124
MET M 125 0.997 0.990 0.669 0.454 0.204 125 125
ALA M 126 0.998 0.998 126 126
LEU M 127 0.999 0.998 0.999 0.999 127 127
GLY M 128 0.995 0.995 128 128
ASN M 129 0.993 0.994 0.999 0.946 129 129
CYS M 130 0.997 0.998 0.831 130 130
VAL M 131 0.996 0.998 1.000 131 131
THR M 132 0.993 0.983 0.591 132 132
HIS M 133 0.989 0.984 0.567 0.027 133 133
LEU M 134 0.998 0.994 0.607 0.611 134 134
LEU M 135 0.994 0.991 0.931 0.696 135 135
GLU M 136 0.978 0.950 0.279 0.998 0.955 136 136
ARG M 137 0.988 0.940 0.732 0.736 0.989 0.997 1.000 137 137
LYS M 138 0.979 0.945 0.998 0.930 0.998 0.998 138 138
VAL M 139 0.941 0.999 1.000 139 139
PRO M 140 0.990 0.994 0.903 0.819 140 140
SER M 141 0.993 0.978 1.000 141 141
GLU M 142 0.995 0.995 0.786 0.942 0.999 142 142
SER M 143 0.982 0.992 0.773 143 143
ARG M 144 0.998 0.993 0.720 0.996 0.640 0.988 0.998 144 144
GLN M 145 0.998 0.995 0.871 0.676 0.934 145 145
ALA M 146 0.997 0.998 146 146
VAL M 147 0.999 0.999 1.000 147 147
ALA M 148 0.999 0.998 148 148
GLU M 149 0.983 0.992 0.586 0.995 0.962 149 149
GLN M 150 0.997 0.995 0.823 0.647 0.913 150 150
PHE M 151 0.998 0.995 0.809 0.899 151 151
ALA M 152 0.998 0.998 152 152
LYS M 153 0.997 0.992 0.590 1.000 0.998 0.998 153 153
ALA M 154 0.999 0.999 154 154
LEU M 155 0.999 0.993 0.689 0.568 155 155
ALA M 156 0.991 0.993 156 156
GLN M 157 0.980 0.992 0.622 0.173 0.800 157 157
SER M 158 0.997 0.993 0.151 158 158
VAL M 159 0.991 0.991 0.838 159 159
LYS M 160 0.992 0.988 0.596 0.999 0.999 1.000 160 160
SER M 161 0.988 0.989 0.749 161 161
ASN M 162 0.947 0.903 0.996 0.908 162 162
LEU M 163 0.967 0.926 0.549 0.625 163 163
GLU M 164 0.393 0.274 0.541 0.999 0.937
HIS M 165 0.503 0.406 0.384 0.376
HIS M 166 0.395 0.389 0.485 0.300
HIS M 167 0.437 0.452 0.571 0.476
HIS M 168 0.587 0.044 0.413 0.564
HIS M 169 0.667 0.140 0.547 0.660
HIS M 170 0.865 0.632 0.468
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 `SOR77_R3_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. M[9..73],M[99..163],for model 1 is: 0.752
> Kabsch RMSD of backbone atoms in res. M[9..73],M[99..163],for model 2 is: 1.277
> Kabsch RMSD of backbone atoms in res. M[9..73],M[99..163],for model 3 is: 0.677
> Kabsch RMSD of backbone atoms in res. M[9..73],M[99..163],for model 4 is: 1.036
> Kabsch RMSD of backbone atoms in res. M[9..73],M[99..163],for model 5 is: 0.844
> Kabsch RMSD of backbone atoms in res. M[9..73],M[99..163],for model 6 is: 0.512 (*)
> Kabsch RMSD of backbone atoms in res. M[9..73],M[99..163],for model 7 is: 0.869
> Kabsch RMSD of backbone atoms in res. M[9..73],M[99..163],for model 8 is: 0.959
> Kabsch RMSD of backbone atoms in res. M[9..73],M[99..163],for model 9 is: 0.613
> Kabsch RMSD of backbone atoms in res. M[9..73],M[99..163],for model 10 is: 0.860
> Kabsch RMSD of backbone atoms in res. M[9..73],M[99..163],for model 11 is: 0.746
> Kabsch RMSD of backbone atoms in res. M[9..73],M[99..163],for model 12 is: 1.168
> Kabsch RMSD of backbone atoms in res. M[9..73],M[99..163],for model 13 is: 0.884
> Kabsch RMSD of backbone atoms in res. M[9..73],M[99..163],for model 14 is: 0.639
> Kabsch RMSD of backbone atoms in res. M[9..73],M[99..163],for model 15 is: 0.877
> Kabsch RMSD of backbone atoms in res. M[9..73],M[99..163],for model 16 is: 0.760
> Kabsch RMSD of backbone atoms in res. M[9..73],M[99..163],for model 17 is: 0.878
> Kabsch RMSD of backbone atoms in res. M[9..73],M[99..163],for model 18 is: 0.926
> Kabsch RMSD of backbone atoms in res. M[9..73],M[99..163],for model 19 is: 0.906
> Kabsch RMSD of backbone atoms in res. M[9..73],M[99..163],for model 20 is: 0.814
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[9..73],[99..163], is: 0.850
> Range of RMSD values to reference struct. is 0.512 to 1.277
> Kabsch RMSD of heavy atoms in res. M[9..73],M[99..163],for model 1 is: 1.173
> Kabsch RMSD of heavy atoms in res. M[9..73],M[99..163],for model 2 is: 1.575
> Kabsch RMSD of heavy atoms in res. M[9..73],M[99..163],for model 3 is: 1.119
> Kabsch RMSD of heavy atoms in res. M[9..73],M[99..163],for model 4 is: 1.505
> Kabsch RMSD of heavy atoms in res. M[9..73],M[99..163],for model 5 is: 1.043
> Kabsch RMSD of heavy atoms in res. M[9..73],M[99..163],for model 6 is: 0.925 (*)
> Kabsch RMSD of heavy atoms in res. M[9..73],M[99..163],for model 7 is: 1.254
> Kabsch RMSD of heavy atoms in res. M[9..73],M[99..163],for model 8 is: 1.322
> Kabsch RMSD of heavy atoms in res. M[9..73],M[99..163],for model 9 is: 1.195
> Kabsch RMSD of heavy atoms in res. M[9..73],M[99..163],for model 10 is: 1.239
> Kabsch RMSD of heavy atoms in res. M[9..73],M[99..163],for model 11 is: 1.042
> Kabsch RMSD of heavy atoms in res. M[9..73],M[99..163],for model 12 is: 1.522
> Kabsch RMSD of heavy atoms in res. M[9..73],M[99..163],for model 13 is: 1.273
> Kabsch RMSD of heavy atoms in res. M[9..73],M[99..163],for model 14 is: 1.200
> Kabsch RMSD of heavy atoms in res. M[9..73],M[99..163],for model 15 is: 1.234
> Kabsch RMSD of heavy atoms in res. M[9..73],M[99..163],for model 16 is: 1.080
> Kabsch RMSD of heavy atoms in res. M[9..73],M[99..163],for model 17 is: 1.444
> Kabsch RMSD of heavy atoms in res. M[9..73],M[99..163],for model 18 is: 1.323
> Kabsch RMSD of heavy atoms in res. M[9..73],M[99..163],for model 19 is: 1.343
> Kabsch RMSD of heavy atoms in res. M[9..73],M[99..163],for model 20 is: 1.274
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[9..73],[99..163], is: 1.254
> Range of RMSD values to reference struct. is 0.925 to 1.575
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..170],for model 1 is: 3.466
> Kabsch RMSD of backb atoms in res. *[1..170],for model 2 is: 4.371
> Kabsch RMSD of backb atoms in res. *[1..170],for model 3 is: 2.314
> Kabsch RMSD of backb atoms in res. *[1..170],for model 4 is: 3.673
> Kabsch RMSD of backb atoms in res. *[1..170],for model 5 is: 3.481
> Kabsch RMSD of backb atoms in res. *[1..170],for model 6 is: 2.370
> Kabsch RMSD of backb atoms in res. *[1..170],for model 7 is: 3.417
> Kabsch RMSD of backb atoms in res. *[1..170],for model 8 is: 3.728
> Kabsch RMSD of backb atoms in res. *[1..170],for model 9 is: 2.082 (*)
> Kabsch RMSD of backb atoms in res. *[1..170],for model 10 is: 3.222
> Kabsch RMSD of backb atoms in res. *[1..170],for model 11 is: 3.764
> Kabsch RMSD of backb atoms in res. *[1..170],for model 12 is: 3.599
> Kabsch RMSD of backb atoms in res. *[1..170],for model 13 is: 3.567
> Kabsch RMSD of backb atoms in res. *[1..170],for model 14 is: 3.005
> Kabsch RMSD of backb atoms in res. *[1..170],for model 15 is: 2.912
> Kabsch RMSD of backb atoms in res. *[1..170],for model 16 is: 3.833
> Kabsch RMSD of backb atoms in res. *[1..170],for model 17 is: 2.575
> Kabsch RMSD of backb atoms in res. *[1..170],for model 18 is: 4.327
> Kabsch RMSD of backb atoms in res. *[1..170],for model 19 is: 4.300
> Kabsch RMSD of backb atoms in res. *[1..170],for model 20 is: 3.105
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..170], is: 3.356
> Range of RMSD values to reference struct. is 2.082 to 4.371
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 1 is: 3.991
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 2 is: 5.005
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 3 is: 2.973
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 4 is: 4.063
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 5 is: 3.812
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 6 is: 2.961
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 7 is: 4.044
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 8 is: 3.993
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 9 is: 2.592 (*)
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 10 is: 3.545
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 11 is: 4.193
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 12 is: 4.362
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 13 is: 4.311
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 14 is: 3.489
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 15 is: 3.231
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 16 is: 4.098
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 17 is: 3.248
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 18 is: 4.918
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 19 is: 4.744
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 20 is: 3.738
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..170], is: 3.866
> Range of RMSD values to reference struct. is 2.592 to 5.005
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 3.4 0.8 0.8
All heavy atoms 3.9 1.3 1.3
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 >>>----------+
| |
| SOR77_R3_em_bcr3_020.rin 0.0 2600 residues |
| |
*| Ramachandran plot: 97.3% core 2.6% allow 0.0% gener 0.1% disall |
| |
+| All Ramachandrans: 6 labelled residues (out of2600) |
| Chi1-chi2 plots: 0 labelled residues (out of1480) |
JPEG image for all model Ramachandran Plot
Residue Properties for all models
JPEG for all model Residue Properties - page $num_n
JPEG for all model Residue Properties - page $num_n
JPEG for all model Residue Properties - page $num_n
Model Secondary Structures from Procheck
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
Ramachandran Plots for each residue
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
Ramachandran analysis for each residue from Molprobity
Chi1-Chi2 Plots for each residue
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
Procheck G-factors for phi-psi for each residue
JPEG image for residue phi-psi G-factors
Table of Procheck G-factors for phi-psi for ordered residues
#phipsi_gfactor
#Residue\Model average
9 0.76
10 0.46
11 0.75
12 0.06
13 0.72
14 0.91
15 0.49
16 0.84
17 0.78
18 0.68
19 0.98
20 0.75
21 0.98
22 0.86
23 0.92
24 -0.30
25 1.02
26 -0.26
27 -1.25
28 -1.14
29 -0.79
30 -0.09
31 1.07
32 0.71
33 0.80
34 0.75
35 0.77
36 0.78
37 1.03
38 0.90
39 0.52
40 1.07
41 0.83
42 0.87
43 0.87
44 0.82
45 0.73
46 0.00
47 -1.73
48 -1.14
49 0.08
50 0.40
51 0.40
52 0.54
53 -0.28
54 0.89
55 0.75
56 0.83
57 0.76
58 0.90
59 0.24
60 0.79
61 0.96
62 0.86
63 0.91
64 0.85
65 0.81
66 0.72
67 0.81
68 1.01
69 0.36
70 0.69
71 0.57
72 -0.50
73 -0.52
99 0.76
100 0.46
101 0.76
102 0.03
103 0.72
104 0.91
105 0.49
106 0.84
107 0.78
108 0.68
109 0.98
110 0.78
111 0.98
112 0.86
113 0.92
114 -0.30
115 1.02
116 -0.24
117 -1.25
118 -1.12
119 -0.79
120 -0.09
121 1.07
122 0.71
123 0.80
124 0.75
125 0.77
126 0.78
127 1.03
128 0.89
129 0.52
130 1.09
131 0.83
132 0.87
133 0.87
134 0.82
135 0.71
136 0.00
137 -1.83
138 -1.15
139 0.08
140 0.40
141 0.40
142 0.52
143 -0.28
144 0.89
145 0.75
146 0.82
147 0.76
148 0.90
149 0.30
150 0.79
151 0.96
152 0.86
153 0.91
154 0.85
155 0.81
156 0.72
157 0.81
158 1.01
159 0.36
160 0.69
161 0.57
162 -0.50
163 -0.53
#Reported_Model_Average 0.486
#Overall_Average_Reported 0.486
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
9 0.92
10 0.56
11 0.75
12 0.17
13 0.82
14 0.77
15 0.47
16 0.87
17 0.78
18 0.72
19 0.94
20 0.78
21 0.76
22 0.74
23 0.89
24 0.45
25 0.91
26 0.39
27 -0.05
28 -1.14
29 -0.79
30 0.21
31 1.10
32 0.56
33 0.49
34 0.70
35 0.72
36 0.78
37 0.96
38 0.90
39 0.76
40 0.82
41 0.63
42 0.70
43 0.69
44 0.79
45 0.60
46 0.31
47 -0.67
48 -0.45
49 0.40
50 0.40
51 0.58
52 0.82
53 0.02
54 0.78
55 0.53
56 0.83
57 0.71
58 0.90
59 0.58
60 0.88
61 0.72
62 0.86
63 0.95
64 0.85
65 0.46
66 0.72
67 0.70
68 0.72
69 0.50
70 0.87
71 0.47
72 0.27
73 -0.02
99 0.92
100 0.52
101 0.76
102 0.15
103 0.82
104 0.72
105 0.47
106 0.87
107 0.78
108 0.72
109 0.94
110 0.80
111 0.74
112 0.75
113 0.89
114 0.45
115 0.91
116 0.39
117 -0.05
118 -1.12
119 -0.79
120 0.19
121 1.10
122 0.56
123 0.42
124 0.70
125 0.72
126 0.78
127 0.96
128 0.89
129 0.76
130 0.83
131 0.64
132 0.75
133 0.69
134 0.79
135 0.59
136 0.31
137 -0.72
138 -0.45
139 0.43
140 0.40
141 0.57
142 0.81
143 -0.06
144 0.78
145 0.53
146 0.82
147 0.73
148 0.90
149 0.61
150 0.88
151 0.72
152 0.86
153 0.95
154 0.85
155 0.46
156 0.72
157 0.70
158 0.66
159 0.49
160 0.87
161 0.49
162 0.27
163 -0.02
#Reported_Model_Average 0.564
#Overall_Average_Reported 0.564
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
9 0.41 0.41 0.41 0.41 0.41 0.51 0.41 0.41 0.51 0.41 0.41 0.41 0.41 0.41 0.51 0.41 -0.26 0.41 0.41 0.41
10 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
11 0.25 0.25 0.25 0.25 0.25 -0.57 -0.57 0.25 0.25 -0.57 0.25 0.25 0.25 0.25 0.25 -0.57 0.25 0.25 0.25 0.25
12 -0.09 0.66 0.66 0.66 0.66 0.66 0.66 -0.09 0.66 -0.09 -0.09 -0.09 0.66 1.00 0.66 0.66 1.00 0.66 0.66 1.00
13 0.04 0.04 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.04 0.04 0.28 0.28 0.28
14 0.17 0.17 0.34 0.34 0.34 0.17 0.34 0.17 0.59 0.59 0.59 0.17 0.17 0.17 0.34 0.17 0.59 0.34 0.34 0.17
15 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
16 0.81 0.81 0.81 0.93 0.93 0.81 0.81 0.93 0.81 0.81 0.93 0.81 0.81 0.81 0.93 0.81 0.81 0.81 0.93 0.81
17 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
18 0.28 -0.59 -0.59 0.28 0.28 -0.59 -0.59 0.28 0.28 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59
19 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
20 -0.33 -0.33 -0.33 0.77 -0.33 0.77 -0.33 -0.33 0.77 -0.33 -0.33 -0.33 -0.33 0.77 -0.68 0.77 0.77 -0.33 -0.33 0.77
21 -0.74 -0.74 -0.80 -0.74 -0.80 -0.80 -0.74 -0.74 -0.74 -0.80 -0.74 -0.80 -0.74 -0.80 -0.74 -0.80 -0.74 -0.80 -0.80 -0.80
22 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 1.00 0.66 0.66 0.66 0.66 0.66 0.66 0.66
23 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
24 0.28 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.28 0.28 0.04 0.28 0.04 0.28 0.04 0.04 0.28 0.28 0.28 0.28
25 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
26 0.54 1.04 1.04 1.04 1.04 1.04 1.04 0.54 1.04 0.54 0.54 1.04 1.04 1.04 1.04 1.04 0.54 1.04 1.04 1.04
27 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10
28 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
29 0.64 0.64 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.64 0.44 0.44 0.44 0.25 0.25 -0.07 0.44 0.44 0.44 0.59
30 0.08 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
31 0.51 0.51 0.34 0.34 0.51 0.51 0.34 0.23 0.23 0.23 0.23 0.51 0.34 0.23 0.23 0.23 0.51 0.34 0.51 0.34
32 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77
33 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
34 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
35 -0.83 -0.83 0.23 1.00 0.23 -0.83 0.23 -0.83 0.23 -0.83 -0.83 -0.83 0.23 -0.83 0.91 -0.83 -0.83 0.23 1.00 -0.83
36 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
37 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
38 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
39 0.51 0.51 0.51 -0.26 0.51 -0.26 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 -0.26 -0.26 0.51
40 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29
41 1.00 1.00 1.00 0.66 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
42 0.55 0.55 0.08 0.55 0.55 0.08 0.55 0.08 0.55 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.55 0.08 0.08 0.55
43 -1.21 1.04 1.04 -1.21 1.04 1.04 1.04 -1.21 1.04 -1.21 -1.21 -1.21 1.04 1.04 0.20 1.04 1.04 -1.21 -1.21 1.04
44 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77 1.06 1.06 1.06
45 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
46 0.28 0.28 -0.46 -0.46 -0.46 0.28 0.28 0.28 -0.46 0.28 -0.46 0.28 0.28 0.28 -0.46 0.28 0.28 0.28 0.28 -0.46
47 -0.41 0.24 0.24 0.24 0.24 0.24 0.24 -0.41 0.24 0.24 0.24 0.24 0.24 0.71 0.24 0.24 0.24 0.24 0.24 0.24
48 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.72 0.47 0.47 0.47 0.47
49 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
50 0.25 0.44 0.25 0.25 0.25 0.25 0.25 0.25 0.44 0.44 0.25 0.44 0.25 0.25 0.44 0.44 0.25 0.25 0.25 0.44
51 0.17 0.59 0.17 0.59 0.34 0.34 0.17 0.17 0.34 0.17 0.17 0.17 0.34 0.34 0.59 0.59 0.34 0.34 0.17 0.34
52 0.28 0.28 0.04 0.28 0.04 0.04 0.04 0.28 0.04 0.28 0.28 0.28 0.04 0.04 0.04 0.28 -0.59 0.04 0.04 0.04
53 0.59 0.59 0.59 0.34 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
54 -0.44 -0.44 0.71 -0.44 -0.44 -0.44 -0.44 0.71 -0.44 -0.44 0.71 -0.44 -0.44 -0.44 -0.44 -2.35 -0.44 -0.44 0.71 -0.44
55 -0.57 0.25 0.25 0.10 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.10 -0.57 -0.57 0.25 0.25 -0.03 -0.03 -0.57 0.25
56 0.14 0.14 0.14 0.49 0.14 0.14 0.14 0.14 0.14 0.14 0.14 -0.25 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
57 -0.09 1.00 -0.09 1.00 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 1.00 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09
58 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
59 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
60 -0.03 0.25 -0.03 -0.57 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 0.25 -0.03 -0.03 -0.57 0.25 -0.03
61 1.40 1.40 1.40 1.40 1.40 1.40 1.04 1.40 1.40 1.40 1.40 1.40 1.04 1.40 1.40 1.40 1.40 1.40 1.40 1.40
62 0.49 0.49 0.49 -0.25 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
63 -0.10 0.47 -0.10 0.47 -0.10 0.47 0.47 0.47 -0.10 0.47 -0.10 -0.10 0.47 -0.10 0.47 -0.10 0.47 0.47 0.47 -0.10
64 0.14 -0.25 -0.25 0.49 0.49 0.14 0.14 0.14 0.14 0.14 0.14 -0.25 0.14 0.14 0.49 0.14 0.14 0.49 -0.25 0.14
65 1.06 1.06 0.77 0.29 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.29 1.06 1.06 0.77 1.06 1.06 1.06 1.06
66 0.49 0.14 0.14 0.49 0.14 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.14 0.49 0.14 0.49 0.49 0.49
67 -0.03 0.25 0.25 0.25 -0.57 -0.03 0.25 -0.03 0.25 0.25 0.25 0.25 -0.03 0.25 -0.03 0.25 0.25 0.25 0.25 0.25
68 0.17 0.34 0.17 0.34 0.17 0.17 0.17 0.17 0.34 0.34 0.17 0.17 0.17 0.17 0.59 0.17 0.17 0.17 0.59 0.34
69 1.00 1.00 1.00 1.00 1.00 0.66 0.66 0.66 1.00 1.00 0.66 1.00 1.00 1.00 1.00 1.00 1.00 0.66 0.66 1.00
70 0.47 0.47 -0.10 0.47 0.47 -0.10 0.47 0.47 0.08 0.08 0.47 0.47 0.47 0.08 0.47 0.08 -0.10 0.47 0.08 0.08
71 0.34 0.34 0.34 0.34 0.59 0.34 0.34 0.34 0.34 0.17 0.34 0.34 0.34 0.17 0.34 0.34 0.34 0.17 0.59 0.34
72 0.51 0.51 0.51 0.41 0.41 0.51 0.51 0.51 0.41 0.51 0.51 -0.26 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 0.51
73 0.29 0.29 0.29 0.77 0.29 -0.68 0.29 0.29 0.29 0.29 0.77 0.77 -0.33 0.29 0.29 0.77 0.77 0.29 -0.68 0.29
99 0.51 0.41 0.41 0.41 0.51 0.51 0.41 0.41 0.51 0.41 0.41 0.51 0.41 0.41 0.51 0.41 0.51 0.41 0.41 0.41
100 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
101 0.25 0.25 0.25 -0.57 -0.03 0.10 -0.57 0.25 0.25 -0.57 0.25 0.25 0.25 0.25 0.25 -0.57 0.25 0.25 0.25 0.25
102 -0.09 0.66 0.66 0.66 0.66 1.00 0.66 -0.09 1.00 -0.09 -0.09 -0.09 0.66 -0.09 1.00 0.66 0.66 0.66 -0.09 1.00
103 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
104 0.59 0.59 0.17 0.34 0.17 0.17 0.17 0.59 0.59 0.59 0.59 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17
105 1.06 1.06 0.77 1.06 1.06 0.77 1.06 0.77 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77
106 0.81 0.81 0.81 0.93 0.93 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.93 0.81 0.81 0.81 0.93 -0.54
107 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
108 0.28 -0.46 -0.59 0.28 -0.46 -0.59 -0.46 -0.59 0.28 -0.59 -0.46 0.28 -0.46 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59
109 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
110 -0.33 -0.33 -0.33 0.77 -0.33 0.77 -0.33 -0.33 0.77 -0.33 -0.33 -0.33 -0.33 0.77 -0.68 0.77 0.77 -0.33 -0.33 0.77
111 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.80 -0.74 -0.74 -0.74 -0.74
112 0.66 0.66 0.66 -0.40 0.66 1.00 0.66 0.66 0.66 1.00 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66
113 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
114 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.04 0.28 0.04 0.28 0.28 0.28 0.28 0.28
115 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
116 1.04 1.04 0.20 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 0.20 1.04 1.04
117 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10
118 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
119 0.44 0.44 0.44 0.44 0.44 0.44 0.64 0.44 0.44 0.64 0.64 0.44 0.44 0.64 0.44 0.59 0.44 0.44 0.44 0.59
120 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
121 0.34 0.34 0.34 0.34 0.51 0.51 0.51 0.23 0.23 0.23 0.23 0.51 0.34 0.23 0.23 0.51 0.51 0.34 0.51 0.34
122 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77 1.06 1.06 1.06 1.06 0.77
123 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
124 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
125 -0.83 0.23 0.23 1.00 0.23 -0.83 0.23 -0.83 0.23 -0.83 -0.83 -0.83 1.00 -0.83 0.91 -0.83 -0.83 0.23 1.00 -0.83
126 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
127 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
128 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
129 -0.26 0.51 0.51 -0.26 0.51 -0.26 -0.26 0.51 -0.26 -0.26 -0.26 0.51 -0.26 0.51 -0.26 -0.26 0.51 -0.26 -0.26 -0.26
130 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29
131 1.00 1.00 1.00 0.66 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
132 0.55 0.55 0.08 0.55 0.55 0.08 0.55 0.08 0.55 0.55 0.08 0.08 0.08 0.08 0.08 0.55 0.08 0.08 0.08 0.55
133 0.20 0.20 1.04 -1.21 0.20 0.54 0.20 0.20 -1.21 0.20 0.20 0.20 -1.21 1.04 0.20 1.04 -1.21 0.20 0.20 -1.21
134 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
135 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
136 0.28 0.28 -0.46 -0.46 -0.46 0.28 0.28 0.28 0.28 0.28 -0.46 0.28 0.28 0.28 -0.46 0.28 0.28 0.28 0.28 0.28
137 -0.41 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 -0.41 0.24 0.24 0.24 0.24 -0.41 0.24 0.24 0.24 0.24 0.24
138 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.72 0.47 0.47 0.47 0.47
139 1.00 1.00 1.00 1.00 1.00 1.00 0.66 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.66 1.00 1.00 1.00 1.00 1.00
140 0.25 0.44 0.25 0.25 0.25 0.25 0.25 0.25 0.44 0.44 0.25 0.44 0.25 0.25 0.25 0.44 0.25 0.25 0.25 0.44
141 0.59 0.59 0.17 0.59 0.34 0.34 0.34 0.17 0.34 0.17 0.17 0.34 0.34 0.59 0.59 0.59 0.34 0.34 0.17 0.34
142 0.28 0.28 0.28 0.28 0.04 0.04 0.04 0.04 0.04 0.28 0.28 0.28 0.04 0.04 0.04 0.28 -0.46 0.04 0.04 0.04
143 0.34 0.59 0.59 0.34 0.59 0.59 0.59 0.34 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.34 0.59
144 0.71 -0.44 0.71 0.71 0.71 -0.44 -0.44 0.71 -0.44 0.71 0.71 0.71 0.71 -0.44 -0.44 -2.35 0.71 0.71 0.71 0.71
145 -0.57 0.25 -0.57 -0.57 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.10 -0.57 -0.57 0.25 0.25 0.25 -0.03 -0.57 0.25
146 0.14 0.14 0.14 0.49 0.14 0.14 0.14 0.14 0.14 0.14 0.14 -0.25 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
147 -0.09 1.00 -0.09 1.00 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 1.00 -0.09 -0.09 -0.09 -0.09 -0.09 1.00 -0.09 -0.09
148 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
149 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
150 -0.03 0.25 0.25 -0.57 0.25 -0.03 0.25 -0.03 -0.03 -0.03 -0.03 -0.03 0.25 -0.03 0.25 0.25 -0.03 -0.57 0.25 -0.03
151 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.04 1.40 1.40 1.40 1.40 1.40 1.40 1.40
152 0.49 0.49 0.49 -0.25 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
153 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
154 0.14 -0.25 0.49 0.49 0.49 0.14 -0.25 0.14 0.14 0.14 0.14 -0.25 0.14 0.14 0.49 0.14 0.14 0.49 -0.25 0.14
155 1.06 1.06 1.06 0.29 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06
156 0.49 0.14 0.14 0.49 -0.25 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.14 0.49 0.49 0.49
157 0.25 0.25 0.25 0.25 -0.57 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
158 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.59 0.17 0.17 0.17 0.59 0.17
159 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.66 1.00 1.00 0.66 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.66 1.00
160 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.08 0.08
161 0.34 0.34 0.17 0.34 0.59 0.17 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.17 0.17 0.59 0.34
162 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 0.51
163 0.29 0.29 0.77 0.77 0.77 0.29 0.77 0.29 0.77 0.29 0.77 0.77 0.29 0.77 0.29 0.77 0.77 0.77 -0.68 0.77
#Reported_Model_Average 0.410 0.493 0.452 0.454 0.472 0.439 0.452 0.423 0.477 0.430 0.425 0.441 0.435 0.463 0.443 0.417 0.452 0.442 0.434 0.450
#Overall_Average_Reported 0.445
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
9 0.41 0.41 0.41 0.41 0.41 0.51 0.41 0.41 0.51 0.41 0.41 0.41 0.41 0.41 0.51 0.41 -0.26 0.41 0.41 0.41
10 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
11 0.25 0.25 0.25 0.25 0.25 -0.57 -0.57 0.25 0.25 -0.57 0.25 0.25 0.25 0.25 0.25 -0.57 0.25 0.25 0.25 0.25
12 -0.09 0.66 0.66 0.66 0.66 0.66 0.66 -0.09 0.66 -0.09 -0.09 -0.09 0.66 1.00 0.66 0.66 1.00 0.66 0.66 1.00
13 0.04 0.04 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.04 0.04 0.28 0.28 0.28
14 0.17 0.17 0.34 0.34 0.34 0.17 0.34 0.17 0.59 0.59 0.59 0.17 0.17 0.17 0.34 0.17 0.59 0.34 0.34 0.17
15 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
16 0.81 0.81 0.81 0.93 0.93 0.81 0.81 0.93 0.81 0.81 0.93 0.81 0.81 0.81 0.93 0.81 0.81 0.81 0.93 0.81
17 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
18 0.28 -0.59 -0.59 0.28 0.28 -0.59 -0.59 0.28 0.28 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59
19 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
20 -0.33 -0.33 -0.33 0.77 -0.33 0.77 -0.33 -0.33 0.77 -0.33 -0.33 -0.33 -0.33 0.77 -0.68 0.77 0.77 -0.33 -0.33 0.77
21 -0.74 -0.74 -0.80 -0.74 -0.80 -0.80 -0.74 -0.74 -0.74 -0.80 -0.74 -0.80 -0.74 -0.80 -0.74 -0.80 -0.74 -0.80 -0.80 -0.80
22 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 1.00 0.66 0.66 0.66 0.66 0.66 0.66 0.66
23 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
24 0.28 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.28 0.28 0.04 0.28 0.04 0.28 0.04 0.04 0.28 0.28 0.28 0.28
25 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
26 0.54 1.04 1.04 1.04 1.04 1.04 1.04 0.54 1.04 0.54 0.54 1.04 1.04 1.04 1.04 1.04 0.54 1.04 1.04 1.04
27 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10
28 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
29 0.64 0.64 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.64 0.44 0.44 0.44 0.25 0.25 -0.07 0.44 0.44 0.44 0.59
30 0.08 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
31 0.51 0.51 0.34 0.34 0.51 0.51 0.34 0.23 0.23 0.23 0.23 0.51 0.34 0.23 0.23 0.23 0.51 0.34 0.51 0.34
32 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77
33 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
34 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
35 -0.83 -0.83 0.23 1.00 0.23 -0.83 0.23 -0.83 0.23 -0.83 -0.83 -0.83 0.23 -0.83 0.91 -0.83 -0.83 0.23 1.00 -0.83
36 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
37 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
38 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
39 0.51 0.51 0.51 -0.26 0.51 -0.26 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 -0.26 -0.26 0.51
40 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29
41 1.00 1.00 1.00 0.66 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
42 0.55 0.55 0.08 0.55 0.55 0.08 0.55 0.08 0.55 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.55 0.08 0.08 0.55
43 -1.21 1.04 1.04 -1.21 1.04 1.04 1.04 -1.21 1.04 -1.21 -1.21 -1.21 1.04 1.04 0.20 1.04 1.04 -1.21 -1.21 1.04
44 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77 1.06 1.06 1.06
45 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
46 0.28 0.28 -0.46 -0.46 -0.46 0.28 0.28 0.28 -0.46 0.28 -0.46 0.28 0.28 0.28 -0.46 0.28 0.28 0.28 0.28 -0.46
47 -0.41 0.24 0.24 0.24 0.24 0.24 0.24 -0.41 0.24 0.24 0.24 0.24 0.24 0.71 0.24 0.24 0.24 0.24 0.24 0.24
48 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.72 0.47 0.47 0.47 0.47
49 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
50 0.25 0.44 0.25 0.25 0.25 0.25 0.25 0.25 0.44 0.44 0.25 0.44 0.25 0.25 0.44 0.44 0.25 0.25 0.25 0.44
51 0.17 0.59 0.17 0.59 0.34 0.34 0.17 0.17 0.34 0.17 0.17 0.17 0.34 0.34 0.59 0.59 0.34 0.34 0.17 0.34
52 0.28 0.28 0.04 0.28 0.04 0.04 0.04 0.28 0.04 0.28 0.28 0.28 0.04 0.04 0.04 0.28 -0.59 0.04 0.04 0.04
53 0.59 0.59 0.59 0.34 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
54 -0.44 -0.44 0.71 -0.44 -0.44 -0.44 -0.44 0.71 -0.44 -0.44 0.71 -0.44 -0.44 -0.44 -0.44 -2.35 -0.44 -0.44 0.71 -0.44
55 -0.57 0.25 0.25 0.10 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.10 -0.57 -0.57 0.25 0.25 -0.03 -0.03 -0.57 0.25
56 0.14 0.14 0.14 0.49 0.14 0.14 0.14 0.14 0.14 0.14 0.14 -0.25 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
57 -0.09 1.00 -0.09 1.00 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 1.00 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09
58 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
59 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
60 -0.03 0.25 -0.03 -0.57 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 0.25 -0.03 -0.03 -0.57 0.25 -0.03
61 1.40 1.40 1.40 1.40 1.40 1.40 1.04 1.40 1.40 1.40 1.40 1.40 1.04 1.40 1.40 1.40 1.40 1.40 1.40 1.40
62 0.49 0.49 0.49 -0.25 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
63 -0.10 0.47 -0.10 0.47 -0.10 0.47 0.47 0.47 -0.10 0.47 -0.10 -0.10 0.47 -0.10 0.47 -0.10 0.47 0.47 0.47 -0.10
64 0.14 -0.25 -0.25 0.49 0.49 0.14 0.14 0.14 0.14 0.14 0.14 -0.25 0.14 0.14 0.49 0.14 0.14 0.49 -0.25 0.14
65 1.06 1.06 0.77 0.29 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.29 1.06 1.06 0.77 1.06 1.06 1.06 1.06
66 0.49 0.14 0.14 0.49 0.14 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.14 0.49 0.14 0.49 0.49 0.49
67 -0.03 0.25 0.25 0.25 -0.57 -0.03 0.25 -0.03 0.25 0.25 0.25 0.25 -0.03 0.25 -0.03 0.25 0.25 0.25 0.25 0.25
68 0.17 0.34 0.17 0.34 0.17 0.17 0.17 0.17 0.34 0.34 0.17 0.17 0.17 0.17 0.59 0.17 0.17 0.17 0.59 0.34
69 1.00 1.00 1.00 1.00 1.00 0.66 0.66 0.66 1.00 1.00 0.66 1.00 1.00 1.00 1.00 1.00 1.00 0.66 0.66 1.00
70 0.47 0.47 -0.10 0.47 0.47 -0.10 0.47 0.47 0.08 0.08 0.47 0.47 0.47 0.08 0.47 0.08 -0.10 0.47 0.08 0.08
71 0.34 0.34 0.34 0.34 0.59 0.34 0.34 0.34 0.34 0.17 0.34 0.34 0.34 0.17 0.34 0.34 0.34 0.17 0.59 0.34
72 0.51 0.51 0.51 0.41 0.41 0.51 0.51 0.51 0.41 0.51 0.51 -0.26 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 0.51
73 0.29 0.29 0.29 0.77 0.29 -0.68 0.29 0.29 0.29 0.29 0.77 0.77 -0.33 0.29 0.29 0.77 0.77 0.29 -0.68 0.29
99 0.51 0.41 0.41 0.41 0.51 0.51 0.41 0.41 0.51 0.41 0.41 0.51 0.41 0.41 0.51 0.41 0.51 0.41 0.41 0.41
100 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
101 0.25 0.25 0.25 -0.57 -0.03 0.10 -0.57 0.25 0.25 -0.57 0.25 0.25 0.25 0.25 0.25 -0.57 0.25 0.25 0.25 0.25
102 -0.09 0.66 0.66 0.66 0.66 1.00 0.66 -0.09 1.00 -0.09 -0.09 -0.09 0.66 -0.09 1.00 0.66 0.66 0.66 -0.09 1.00
103 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
104 0.59 0.59 0.17 0.34 0.17 0.17 0.17 0.59 0.59 0.59 0.59 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17
105 1.06 1.06 0.77 1.06 1.06 0.77 1.06 0.77 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77
106 0.81 0.81 0.81 0.93 0.93 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.93 0.81 0.81 0.81 0.93 -0.54
107 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
108 0.28 -0.46 -0.59 0.28 -0.46 -0.59 -0.46 -0.59 0.28 -0.59 -0.46 0.28 -0.46 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59
109 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
110 -0.33 -0.33 -0.33 0.77 -0.33 0.77 -0.33 -0.33 0.77 -0.33 -0.33 -0.33 -0.33 0.77 -0.68 0.77 0.77 -0.33 -0.33 0.77
111 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.80 -0.74 -0.74 -0.74 -0.74
112 0.66 0.66 0.66 -0.40 0.66 1.00 0.66 0.66 0.66 1.00 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66
113 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
114 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.04 0.28 0.04 0.28 0.28 0.28 0.28 0.28
115 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
116 1.04 1.04 0.20 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 0.20 1.04 1.04
117 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10
118 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
119 0.44 0.44 0.44 0.44 0.44 0.44 0.64 0.44 0.44 0.64 0.64 0.44 0.44 0.64 0.44 0.59 0.44 0.44 0.44 0.59
120 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
121 0.34 0.34 0.34 0.34 0.51 0.51 0.51 0.23 0.23 0.23 0.23 0.51 0.34 0.23 0.23 0.51 0.51 0.34 0.51 0.34
122 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77 1.06 1.06 1.06 1.06 0.77
123 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
124 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
125 -0.83 0.23 0.23 1.00 0.23 -0.83 0.23 -0.83 0.23 -0.83 -0.83 -0.83 1.00 -0.83 0.91 -0.83 -0.83 0.23 1.00 -0.83
126 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
127 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
128 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
129 -0.26 0.51 0.51 -0.26 0.51 -0.26 -0.26 0.51 -0.26 -0.26 -0.26 0.51 -0.26 0.51 -0.26 -0.26 0.51 -0.26 -0.26 -0.26
130 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29
131 1.00 1.00 1.00 0.66 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
132 0.55 0.55 0.08 0.55 0.55 0.08 0.55 0.08 0.55 0.55 0.08 0.08 0.08 0.08 0.08 0.55 0.08 0.08 0.08 0.55
133 0.20 0.20 1.04 -1.21 0.20 0.54 0.20 0.20 -1.21 0.20 0.20 0.20 -1.21 1.04 0.20 1.04 -1.21 0.20 0.20 -1.21
134 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
135 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
136 0.28 0.28 -0.46 -0.46 -0.46 0.28 0.28 0.28 0.28 0.28 -0.46 0.28 0.28 0.28 -0.46 0.28 0.28 0.28 0.28 0.28
137 -0.41 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 -0.41 0.24 0.24 0.24 0.24 -0.41 0.24 0.24 0.24 0.24 0.24
138 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.72 0.47 0.47 0.47 0.47
139 1.00 1.00 1.00 1.00 1.00 1.00 0.66 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.66 1.00 1.00 1.00 1.00 1.00
140 0.25 0.44 0.25 0.25 0.25 0.25 0.25 0.25 0.44 0.44 0.25 0.44 0.25 0.25 0.25 0.44 0.25 0.25 0.25 0.44
141 0.59 0.59 0.17 0.59 0.34 0.34 0.34 0.17 0.34 0.17 0.17 0.34 0.34 0.59 0.59 0.59 0.34 0.34 0.17 0.34
142 0.28 0.28 0.28 0.28 0.04 0.04 0.04 0.04 0.04 0.28 0.28 0.28 0.04 0.04 0.04 0.28 -0.46 0.04 0.04 0.04
143 0.34 0.59 0.59 0.34 0.59 0.59 0.59 0.34 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.34 0.59
144 0.71 -0.44 0.71 0.71 0.71 -0.44 -0.44 0.71 -0.44 0.71 0.71 0.71 0.71 -0.44 -0.44 -2.35 0.71 0.71 0.71 0.71
145 -0.57 0.25 -0.57 -0.57 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.10 -0.57 -0.57 0.25 0.25 0.25 -0.03 -0.57 0.25
146 0.14 0.14 0.14 0.49 0.14 0.14 0.14 0.14 0.14 0.14 0.14 -0.25 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
147 -0.09 1.00 -0.09 1.00 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 1.00 -0.09 -0.09 -0.09 -0.09 -0.09 1.00 -0.09 -0.09
148 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
149 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
150 -0.03 0.25 0.25 -0.57 0.25 -0.03 0.25 -0.03 -0.03 -0.03 -0.03 -0.03 0.25 -0.03 0.25 0.25 -0.03 -0.57 0.25 -0.03
151 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.04 1.40 1.40 1.40 1.40 1.40 1.40 1.40
152 0.49 0.49 0.49 -0.25 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
153 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
154 0.14 -0.25 0.49 0.49 0.49 0.14 -0.25 0.14 0.14 0.14 0.14 -0.25 0.14 0.14 0.49 0.14 0.14 0.49 -0.25 0.14
155 1.06 1.06 1.06 0.29 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06
156 0.49 0.14 0.14 0.49 -0.25 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.14 0.49 0.49 0.49
157 0.25 0.25 0.25 0.25 -0.57 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
158 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.59 0.17 0.17 0.17 0.59 0.17
159 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.66 1.00 1.00 0.66 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.66 1.00
160 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.08 0.08
161 0.34 0.34 0.17 0.34 0.59 0.17 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.17 0.17 0.59 0.34
162 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 0.51
163 0.29 0.29 0.77 0.77 0.77 0.29 0.77 0.29 0.77 0.29 0.77 0.77 0.29 0.77 0.29 0.77 0.77 0.77 -0.68 0.77
#Reported_Model_Average 0.410 0.493 0.452 0.454 0.472 0.439 0.452 0.423 0.477 0.430 0.425 0.441 0.435 0.463 0.443 0.417 0.452 0.442 0.434 0.450
#Overall_Average_Reported 0.445
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
9.000 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0
10.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
11.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
12.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0
13.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
14.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
15.000 1 0 0 0 2 1 0 0 0 0 0 1 0 0 1 0 0 0 0 1
16.000 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0
17.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
18.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
19.000 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
20.000 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1
21.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
22.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
23.000 2 1 0 0 3 2 0 0 1 0 0 0 0 0 0 0 1 0 1 2
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 1 0 0 0 0 0 0 0 0 1 2 0 0 0 0 0 0 0
27.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
28.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
29.000 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0
30.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
31.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
32.000 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0
33.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
34.000 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 1
35.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0
36.000 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0
37.000 0 1 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 1 0
38.000 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0
39.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0
40.000 0 0 0 2 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0
41.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
42.000 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0
43.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
44.000 0 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 1
45.000 0 1 0 1 0 0 2 0 0 1 1 1 0 0 0 0 0 0 0 0
46.000 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0
47.000 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0
48.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
49.000 0 1 0 0 0 0 1 0 0 1 0 1 0 1 0 0 0 0 0 0
50.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
51.000 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0
52.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
53.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
54.000 0 0 0 0 0 0 0 0 1 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 1 0 0 0 0 0 0
56.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
57.000 0 0 0 0 0 0 0 0 0 0 0 0 1 0 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 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
61.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
62.000 1 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 1 0 0
63.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
64.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
65.000 2 0 0 0 0 0 2 0 0 0 0 1 0 1 0 0 0 0 2 0
66.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
67.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
68.000 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
69.000 0 0 0 1 0 0 0 0 0 0 1 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 1 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 2 0 0 0 0 0 1 1 1 0 0 0 6 0 0 0 0
99.000 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0
100.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
101.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
102.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0
103.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
104.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
105.000 1 0 0 0 2 1 0 0 0 0 0 1 0 0 1 0 0 0 0 2
106.000 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0
107.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
108.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
109.000 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
110.000 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 1 1
111.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
112.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
113.000 2 1 0 0 3 2 0 0 0 0 0 0 0 0 0 0 1 0 2 1
114.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
115.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
116.000 0 0 1 0 0 0 0 0 0 0 0 1 2 0 0 0 0 0 0 0
117.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
118.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
119.000 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0
120.000 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0
121.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
122.000 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0
123.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
124.000 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 1
125.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0
126.000 0 0 0 1 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0
127.000 0 1 0 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 1 0
128.000 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0
129.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0
130.000 0 0 0 3 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0
131.000 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0
132.000 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0
133.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
134.000 0 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 1
135.000 0 1 0 2 0 0 1 0 0 1 1 1 0 0 1 0 0 0 0 0
136.000 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0
137.000 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0
138.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
139.000 0 1 0 0 0 0 0 0 0 1 0 1 1 0 1 0 0 0 0 0
140.000 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0
141.000 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0
142.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
143.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
144.000 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0
145.000 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0
146.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
147.000 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0
148.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
149.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
150.000 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
151.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
152.000 1 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 1 0 0
153.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
154.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
155.000 2 0 0 0 0 0 2 0 0 0 0 1 0 1 0 0 0 0 2 0
156.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
157.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
158.000 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
159.000 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0
160.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
161.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
162.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
163.000 0 0 0 2 0 0 0 0 0 1 1 1 0 0 0 6 0 0 0 0
#Reported_Model_Average 0.108 0.138 0.062 0.200 0.123 0.108 0.108 0.015 0.092 0.062 0.077 0.138 0.108 0.077 0.077 0.108 0.038 0.015 0.092 0.108
#Overall_Average_Reported 0.093
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2507:M 155 LEU 3HD2 :M 155 LEU C : -0.508: 0
: 2507:M 65 LEU 3HD2 :M 65 LEU C : -0.505: 0
: 2507:M 62 ALA 1HB :M 152 ALA 1HB : -0.488: 0
: 2507:M 15 LEU 1HD1 :M 113 LEU 3HD2 : -0.477: 0
: 2507:M 113 LEU 2HD1 :M 110 LEU HA : -0.456: 0
: 2507:M 105 LEU 1HD1 :M 23 LEU 3HD2 : -0.474: 0
: 2507:M 23 LEU 2HD1 :M 20 LEU HA : -0.462: 0
: 2507:M 5 SER O :M 6 LYS 1HB : -0.452: 0
: 2507:M 95 SER O :M 96 LYS 1HB : -0.448: 0
#sum2 ::3.59 clashscore : 3.59 clashscore B<40
#summary::2507 atoms:2507 atoms B<40:281919 potential dots:17620.0 A^2:9 bumps:9 bumps B<40:1048 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2507:M 49 VAL HB :M 45 LEU HA : -0.474: 0
: 2507:M 139 VAL HB :M 135 LEU HA : -0.468: 0
: 2507:M 23 LEU 2HD1 :M 20 LEU 3HD2 : -0.461: 0
: 2507:M 113 LEU 2HD1 :M 110 LEU 3HD2 : -0.457: 0
: 2507:M 5 SER O :M 6 LYS 1HB : -0.457: 0
: 2507:M 3 ILE 2HG2 :M 5 SER H : -0.423: 0
: 2507:M 95 SER O :M 96 LYS 1HB : -0.446: 0
: 2507:M 95 SER H :M 93 ILE 2HG2 : -0.411: 0
: 2507:M 44 LEU 2HD1 :M 127 LEU 1HD1 : -0.445: 0
: 2507:M 37 LEU 1HD1 :M 134 LEU 2HD1 : -0.444: 0
: 2507:M 141 SER 1HB :M 76 HIS 1HB : -0.425: 0
: 2507:M 166 HIS 1HB :M 51 SER 1HB : -0.425: 0
: 2507:M 129 ASN 2HB :M 133 HIS CE1 : -0.412: 0
: 2507:M 39 ASN 2HB :M 43 HIS CE1 : -0.412: 0
#sum2 ::5.58 clashscore : 5.58 clashscore B<40
#summary::2507 atoms:2507 atoms B<40:281556 potential dots:17600.0 A^2:14 bumps:14 bumps B<40:1012 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2507:M 118 ALA HA :M 122 LEU 3HD2 : -0.499: 0
: 2507:M 28 ALA HA :M 32 LEU 3HD2 : -0.484: 0
: 2507:M 165 HIS ND1 :M 166 HIS N : -0.421: 0
: 2507:M 76 HIS N :M 75 HIS ND1 : -0.416: 0
: 2507:M 117 LYS 1HB :M 116 HIS O : -0.411: 0
: 2507:M 27 LYS 1HB :M 26 HIS O : -0.408: 0
#sum2 ::2.39 clashscore : 2.39 clashscore B<40
#summary::2507 atoms:2507 atoms B<40:281788 potential dots:17610.0 A^2:6 bumps:6 bumps B<40:1076 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2507:M 60 GLN 1HG :M 1 MET 1HB : -0.538: 0
: 2507:M 60 GLN 2HG :M 2 ALA 2HB : -0.456: 0
: 2507:M 150 GLN 1HG :M 91 MET 1HB : -0.533: 0
: 2507:M 92 ALA 2HB :M 150 GLN 2HG : -0.442: 0
: 2507:M 73 LEU 3HD2 :M 73 LEU C : -0.526: 0
: 2507:M 163 LEU 3HD2 :M 163 LEU C : -0.519: 0
: 2507:M 135 LEU 3HD2 :M 69 VAL 1HG2 : -0.485: 0
: 2507:M 159 VAL 1HG2 :M 45 LEU 3HD2 : -0.485: 0
: 2507:M 144 ARG 2HG :M 135 LEU HG : -0.408: 0
: 2507:M 16 ILE 1HG1 :M 130 CYS SG : -0.437: 0
: 2507:M 130 CYS 2HB :M 37 LEU 3HD1 : -0.436: 0
: 2507:M 126 ALA O :M 130 CYS SG : -0.400: 0
: 2507:M 40 CYS SG :M 106 ILE 1HG1 : -0.434: 0
: 2507:M 127 LEU 3HD1 :M 40 CYS 2HB : -0.422: 0
: 2507:M 19 ILE 3HG2 :M 109 ILE 3HG2 : -0.426: 0
#sum2 ::5.98 clashscore : 5.98 clashscore B<40
#summary::2507 atoms:2507 atoms B<40:281717 potential dots:17610.0 A^2:15 bumps:15 bumps B<40:1056 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2507:M 68 SER 2HB :M 132 THR 1HG2 : -0.476: 0
: 2507:M 158 SER 2HB :M 42 THR 1HG2 : -0.451: 0
: 2507:M 15 LEU 1HD1 :M 113 LEU HA : -0.442: 0
: 2507:M 15 LEU 1HD1 :M 113 LEU 3HD2 : -0.419: 0
: 2507:M 113 LEU 2HD1 :M 110 LEU 3HD2 : -0.419: 0
: 2507:M 23 LEU HA :M 105 LEU 1HD1 : -0.429: 0
: 2507:M 23 LEU 2HD1 :M 20 LEU 3HD2 : -0.421: 0
: 2507:M 105 LEU 1HD1 :M 23 LEU 3HD2 : -0.403: 0
#sum2 ::3.19 clashscore : 3.19 clashscore B<40
#summary::2507 atoms:2507 atoms B<40:281622 potential dots:17600.0 A^2:8 bumps:8 bumps B<40:1088 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2507:M 7 TYR 1HB :M 6 LYS O : -0.514: 0
: 2507:M 97 TYR 1HB :M 96 LYS O : -0.510: 0
: 2507:M 91 MET 2HB :M 93 ILE 1HG1 : -0.450: 0
: 2507:M 1 MET 2HB :M 3 ILE 1HG1 : -0.441: 0
: 2507:M 122 LEU 2HD1 :M 119 PRO 1HD : -0.430: 0
: 2507:M 32 LEU 2HD1 :M 29 PRO 1HD : -0.421: 0
: 2507:M 99 ASN 1HB :M 92 ALA HA : -0.418: 0
: 2507:M 23 LEU 2HD1 :M 20 LEU 3HD2 : -0.409: 0
: 2507:M 23 LEU HA :M 105 LEU 1HD1 : -0.403: 0
: 2507:M 2 ALA HA :M 9 ASN 1HB : -0.405: 0
: 2507:M 113 LEU 2HD1 :M 110 LEU 3HD2 : -0.403: 0
: 2507:M 15 LEU 1HD1 :M 113 LEU HA : -0.401: 0
#sum2 ::4.79 clashscore : 4.79 clashscore B<40
#summary::2507 atoms:2507 atoms B<40:281870 potential dots:17620.0 A^2:12 bumps:12 bumps B<40:1073 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2507:M 44 LEU 1HB :M 124 LEU 1HD2 : -0.518: 0
: 2507:M 34 LEU 1HD2 :M 134 LEU 1HB : -0.499: 0
: 2507:M 42 THR HA :M 45 LEU 2HD1 : -0.437: 0
: 2507:M 49 VAL 1HG2 :M 45 LEU 3HD2 : -0.410: 0
: 2507:M 132 THR HA :M 135 LEU 2HD1 : -0.419: 0
: 2507:M 65 LEU 3HD2 :M 65 LEU C : -0.418: 0
: 2507:M 155 LEU 3HD2 :M 155 LEU C : -0.416: 0
#sum2 ::2.79 clashscore : 2.79 clashscore B<40
#summary::2507 atoms:2507 atoms B<40:281740 potential dots:17610.0 A^2:7 bumps:7 bumps B<40:1071 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2507:M 62 ALA 1HB :M 152 ALA 1HB : -0.487: 0
#sum2 ::0.40 clashscore : 0.40 clashscore B<40
#summary::2507 atoms:2507 atoms B<40:281644 potential dots:17600.0 A^2:1 bumps:1 bumps B<40:1044 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2507:M 5 SER O :M 6 LYS 1HB : -0.495: 0
: 2507:M 95 SER O :M 96 LYS 1HB : -0.493: 0
: 2507:M 141 SER HA :M 144 ARG 1HB : -0.459: 0
: 2507:M 51 SER HA :M 54 ARG 1HB : -0.443: 0
: 2507:M 166 HIS 1HB :M 165 HIS O : -0.435: 0
: 2507:M 75 HIS O :M 76 HIS 1HB : -0.430: 0
: 2507:M 44 LEU 2HD1 :M 127 LEU 2HD1 : -0.429: 0
: 2507:M 37 LEU 2HD1 :M 134 LEU 2HD1 : -0.423: 0
: 2507:M 23 LEU 1HD1 :M 37 LEU 1HD1 : -0.411: 0
: 2507:M 3 ILE H :M 9 ASN 1HB : -0.407: 0
: 2507:M 93 ILE H :M 99 ASN 1HB : -0.403: 0
#sum2 ::4.39 clashscore : 4.39 clashscore B<40
#summary::2507 atoms:2507 atoms B<40:281700 potential dots:17610.0 A^2:11 bumps:11 bumps B<40:1071 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2507:M 139 VAL HB :M 135 LEU HA : -0.455: 0
: 2507:M 75 HIS O :M 76 HIS 2HB : -0.444: 0
: 2507:M 166 HIS 2HB :M 165 HIS O : -0.440: 0
: 2507:M 73 LEU O :M 74 GLU 1HB : -0.438: 0
: 2507:M 163 LEU O :M 164 GLU 1HB : -0.429: 0
: 2507:M 49 VAL HB :M 45 LEU HA : -0.429: 0
: 2507:M 127 LEU O :M 131 VAL 3HG2 : -0.406: 0
#sum2 ::2.79 clashscore : 2.79 clashscore B<40
#summary::2507 atoms:2507 atoms B<40:281608 potential dots:17600.0 A^2:7 bumps:7 bumps B<40:1041 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2507:M 137 ARG 1HG :M 136 GLU 2HG : -0.484: 0
: 2507:M 47 ARG 1HG :M 46 GLU 2HG : -0.465: 0
: 2507:M 73 LEU O :M 74 GLU 1HB : -0.437: 0
: 2507:M 163 LEU O :M 164 GLU 1HB : -0.428: 0
: 2507:M 135 LEU 2HD1 :M 69 VAL 1HG2 : -0.415: 0
: 2507:M 45 LEU 2HD1 :M 159 VAL 1HG2 : -0.404: 0
#sum2 ::2.39 clashscore : 2.39 clashscore B<40
#summary::2507 atoms:2507 atoms B<40:281728 potential dots:17610.0 A^2:6 bumps:6 bumps B<40:1102 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2507:M 163 LEU O :M 164 GLU 1HB : -0.462: 0
: 2507:M 73 LEU O :M 74 GLU 1HB : -0.457: 0
: 2507:M 65 LEU 1HD2 :M 128 GLY 1HA : -0.451: 0
: 2507:M 139 VAL HB :M 135 LEU HA : -0.448: 0
: 2507:M 49 VAL HB :M 45 LEU HA : -0.443: 0
: 2507:M 105 LEU 3HD1 :M 26 HIS 1HB : -0.439: 0
: 2507:M 15 LEU 3HD1 :M 116 HIS 1HB : -0.434: 0
: 2507:M 155 LEU 1HD2 :M 38 GLY 1HA : -0.433: 0
: 2507:M 130 CYS SG :M 16 ILE 3HG2 : -0.409: 0
: 2507:M 106 ILE 3HG2 :M 40 CYS SG : -0.409: 0
#sum2 ::3.99 clashscore : 3.99 clashscore B<40
#summary::2507 atoms:2507 atoms B<40:281815 potential dots:17610.0 A^2:10 bumps:10 bumps B<40:1057 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2507:M 124 LEU 3HD1 :M 57 VAL 1HG1 : -0.436: 0
: 2507:M 147 VAL 1HG1 :M 34 LEU 3HD1 : -0.428: 0
: 2507:M 26 HIS O :M 26 HIS ND1 : -0.426: 0
: 2507:M 77 HIS O :M 78 HIS 2HB : -0.421: 0
: 2507:M 116 HIS O :M 116 HIS ND1 : -0.420: 0
: 2507:M 168 HIS 2HB :M 167 HIS O : -0.419: 0
: 2507:M 126 ALA O :M 130 CYS SG : -0.406: 0
: 2507:M 140 PRO 2HD :M 139 VAL HA : -0.402: 0
: 2507:M 36 ALA O :M 40 CYS SG : -0.400: 0
#sum2 ::3.59 clashscore : 3.59 clashscore B<40
#summary::2507 atoms:2507 atoms B<40:281725 potential dots:17610.0 A^2:9 bumps:9 bumps B<40:1000 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2507:M 62 ALA 1HB :M 152 ALA 1HB : -0.464: 0
: 2507:M 145 GLN NE2 :M 75 HIS NE2 : -0.439: 0
: 2507:M 55 GLN NE2 :M 165 HIS NE2 : -0.438: 0
: 2507:M 65 LEU 1HD2 :M 128 GLY 1HA : -0.428: 0
: 2507:M 155 LEU 1HD2 :M 38 GLY 1HA : -0.405: 0
: 2507:M 49 VAL 3HG2 :M 120 THR 1HG2 : -0.400: 0
#sum2 ::2.39 clashscore : 2.39 clashscore B<40
#summary::2507 atoms:2507 atoms B<40:281787 potential dots:17610.0 A^2:6 bumps:6 bumps B<40:1081 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2507:M 3 ILE O :M 5 SER N : -0.465: 0
: 2507:M 95 SER N :M 93 ILE O : -0.465: 0
: 2507:M 77 HIS 1HB :M 76 HIS O : -0.448: 0
: 2507:M 75 HIS O :M 76 HIS 2HB : -0.422: 0
: 2507:M 166 HIS 2HB :M 165 HIS O : -0.437: 0
: 2507:M 167 HIS 1HB :M 166 HIS O : -0.437: 0
: 2507:M 129 ASN 2HD2 :M 12 VAL 1HG1 : -0.405: 0
: 2507:M 36 ALA CB :M 105 LEU 3HD2 : -0.405: 0
: 2507:M 135 LEU HA :M 139 VAL HB : -0.404: 0
: 2507:M 39 ASN 2HD2 :M 102 VAL 1HG1 : -0.404: 0
: 2507:M 15 LEU 3HD2 :M 126 ALA CB : -0.400: 0
#sum2 ::4.39 clashscore : 4.39 clashscore B<40
#summary::2507 atoms:2507 atoms B<40:281659 potential dots:17600.0 A^2:11 bumps:11 bumps B<40:1087 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2507:M 163 LEU 3HD2 :M 163 LEU O : -0.736: 0
: 2507:M 163 LEU 3HD2 :M 163 LEU C : -0.654: 0
: 2507:M 163 LEU C :M 163 LEU CD2 : -0.595: 0
: 2507:M 73 LEU 3HD2 :M 73 LEU O : -0.734: 0
: 2507:M 73 LEU 3HD2 :M 73 LEU C : -0.642: 0
: 2507:M 73 LEU C :M 73 LEU CD2 : -0.603: 0
: 2507:M 7 TYR CG :M 122 LEU 2HD2 : -0.429: 0
: 2507:M 77 HIS 1HB :M 76 HIS O : -0.428: 0
: 2507:M 97 TYR CG :M 32 LEU 2HD2 : -0.425: 0
: 2507:M 166 HIS O :M 167 HIS 1HB : -0.424: 0
#sum2 ::3.99 clashscore : 3.99 clashscore B<40
#summary::2507 atoms:2507 atoms B<40:281749 potential dots:17610.0 A^2:10 bumps:10 bumps B<40:993.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2507:M 113 LEU 2HD1 :M 110 LEU 3HD2 : -0.439: 0
: 2507:M 23 LEU 2HD1 :M 20 LEU 3HD2 : -0.425: 0
: 2507:M 70 LYS O :M 74 GLU N : -0.403: 0
#sum2 ::1.20 clashscore : 1.20 clashscore B<40
#summary::2507 atoms:2507 atoms B<40:281853 potential dots:17620.0 A^2:3 bumps:3 bumps B<40:1140 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2507:M 76 HIS O :M 77 HIS 2HB : -0.433: 0
: 2507:M 167 HIS 2HB :M 166 HIS O : -0.423: 0
: 2507:M 62 ALA 1HB :M 152 ALA 1HB : -0.406: 0
#sum2 ::1.20 clashscore : 1.20 clashscore B<40
#summary::2507 atoms:2507 atoms B<40:281508 potential dots:17590.0 A^2:3 bumps:3 bumps B<40:1067 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2507:M 155 LEU 3HD2 :M 155 LEU C : -0.520: 0
: 2507:M 65 LEU 3HD2 :M 65 LEU C : -0.515: 0
: 2507:M 35 MET SD :M 95 SER HA : -0.464: 0
: 2507:M 125 MET SD :M 5 SER HA : -0.457: 0
: 2507:M 23 LEU 1HD1 :M 37 LEU 1HD1 : -0.449: 0
: 2507:M 113 LEU 1HD1 :M 127 LEU 1HD1 : -0.436: 0
: 2507:M 113 LEU 2HD1 :M 110 LEU HA : -0.400: 0
#sum2 ::2.79 clashscore : 2.79 clashscore B<40
#summary::2507 atoms:2507 atoms B<40:281618 potential dots:17600.0 A^2:7 bumps:7 bumps B<40:1133 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2507:M 34 LEU 1HD2 :M 134 LEU 1HB : -0.428: 0
: 2507:M 22 VAL 2HG1 :M 105 LEU 2HD1 : -0.426: 0
: 2507:M 23 LEU 2HD1 :M 20 LEU HA : -0.418: 0
: 2507:M 23 LEU HA :M 105 LEU 1HD1 : -0.400: 0
: 2507:M 113 LEU 2HD1 :M 110 LEU HA : -0.417: 0
: 2507:M 112 VAL 2HG1 :M 15 LEU 2HD1 : -0.415: 0
: 2507:M 44 LEU 1HB :M 124 LEU 1HD2 : -0.411: 0
#sum2 ::2.79 clashscore : 2.79 clashscore B<40
#summary::2507 atoms:2507 atoms B<40:281836 potential dots:17610.0 A^2:7 bumps:7 bumps B<40:1029 score
Output from PDB validation software
Summary from PDB validation
May. 10, 21:43:29 2013
[ Text modified to reflect that this was run under PSVS - Aneerban Bhattacharya: Dec 2005 ]
The following checks were made on :
-----------------------------------------
CLOSE CONTACTS
==> Distances smaller than 2.2 Angstroms are considered as close contacts
for heavy atoms, 1.6 Angstroms for hydrogens.
none
DISTANCES AND ANGLES
We have checked your intra and intermolecular distances and angles with the
procedures currently in place at PDB:
==> Bond and angle checks are performed by first computing the average rms
error for all bonds and angles relative to standard values for nucleotide
units [L. Clowney et al., Geometric Parameters in Nucleic Acids: Nitrogenous
Bases, J.Am.Chem.Soc. 1996, 118, 509-518; A. Gelbin et al., Geometric
Parameters in Nucleic Acids: Sugar and Phosphate Constituents, J.Am.Chem.Soc.
1996, 118, 519-529] and amino acid units [R.A. Engh and R. Huber, Accurate
Bond and Angle Parameters for X-ray protein structure refinement, Acta
Crystallogr. 1991, A47, 392-400]. Any bond or angle which deviates from the
dictionary values by more than six times this computed rms error is
identified as an outlier.
*** Covalent Bond Lengths:
The RMS deviation for covalent bonds relative to the standard
dictionary is 0.008 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
--------------------------------------------------------------------------------
-7.6 CYS A 40 1 N - CA - CB 102.9 110.5
-7.5 CYS B 40 1 N - CA - CB 103.0 110.5
-7.8 CYS A 40 2 N - CA - CB 102.7 110.5
-7.8 CYS B 40 2 N - CA - CB 102.7 110.5
-7.7 CYS A 40 3 N - CA - CB 102.8 110.5
-7.7 CYS B 40 3 N - CA - CB 102.8 110.5
-7.8 CYS A 40 4 N - CA - CB 102.7 110.5
-7.8 CYS B 40 4 N - CA - CB 102.7 110.5
-7.6 CYS A 40 5 N - CA - CB 102.9 110.5
-7.6 CYS B 40 5 N - CA - CB 102.9 110.5
-7.5 CYS A 40 6 N - CA - CB 103.0 110.5
-3.8 HIS A 77 6 N - CA - C 107.4 111.2
4.1 HIS A 79 6 C - N - CA 125.8 121.7
-7.6 CYS B 40 6 N - CA - CB 102.9 110.5
-3.8 HIS B 77 6 N - CA - C 107.4 111.2
4.1 HIS B 79 6 C - N - CA 125.8 121.7
-7.7 CYS A 40 7 N - CA - CB 102.8 110.5
-7.7 CYS B 40 7 N - CA - CB 102.8 110.5
-7.8 CYS A 40 8 N - CA - CB 102.7 110.5
-7.8 CYS B 40 8 N - CA - CB 102.7 110.5
-7.7 CYS A 40 9 N - CA - CB 102.8 110.5
-4.4 HIS A 79 9 N - CA - C 106.8 111.2
-7.7 CYS B 40 9 N - CA - CB 102.8 110.5
-4.4 HIS B 79 9 N - CA - C 106.8 111.2
-7.4 CYS A 40 10 N - CA - CB 103.1 110.5
-7.4 CYS B 40 10 N - CA - CB 103.1 110.5
-7.7 CYS A 40 11 N - CA - CB 102.8 110.5
-7.7 CYS B 40 11 N - CA - CB 102.8 110.5
-7.8 CYS A 40 12 N - CA - CB 102.7 110.5
-7.8 CYS B 40 12 N - CA - CB 102.7 110.5
-7.6 CYS A 40 13 N - CA - CB 102.9 110.5
-7.7 CYS B 40 13 N - CA - CB 102.8 110.5
-7.7 CYS A 40 14 N - CA - CB 102.8 110.5
-4.0 HIS A 79 14 N - CA - C 107.2 111.2
-7.8 CYS B 40 14 N - CA - CB 102.7 110.5
-4.1 HIS B 79 14 N - CA - C 107.1 111.2
-7.6 CYS A 40 15 N - CA - CB 102.9 110.5
-7.7 CYS B 40 15 N - CA - CB 102.8 110.5
4.0 TYR A 7 16 C - N - CA 125.7 121.7
-7.6 CYS A 40 16 N - CA - CB 102.9 110.5
4.0 TYR B 7 16 C - N - CA 125.7 121.7
-7.6 CYS B 40 16 N - CA - CB 102.9 110.5
-7.8 CYS A 40 17 N - CA - CB 102.7 110.5
-7.8 CYS B 40 17 N - CA - CB 102.7 110.5
-7.8 CYS A 40 18 N - CA - CB 102.7 110.5
-7.9 CYS B 40 18 N - CA - CB 102.6 110.5
-7.7 CYS A 40 19 N - CA - CB 102.8 110.5
-7.6 CYS B 40 19 N - CA - CB 102.9 110.5
-7.7 CYS A 40 20 N - CA - CB 102.8 110.5
-7.8 CYS B 40 20 N - CA - CB 102.7 110.5
TORSION ANGLES
The torsion angle distributions have been checked. The postscript file of the
conformation rings showing the torsion angle distributions will be sent in a
separate E-mail message.
CHIRALITY
The chirality has been checked. O1P, O2P, and hydrogen atoms which do not
follow the convention defined in the IUBMB (Liebecq, C. Compendium of
Biochemical Nomenclature and Related Documents, 2nd ed.; Portland Press:
London and Chapel Hill, 1992) and IUPAC nomenclature (J.L. Markley, A. Bax,
Y. Arata, C.W. Hilbers, R. Kaptein, B.D. Sykes, P.E. Wright and K. Wüthrich,
Recommendations for the Presentation of NMR Structures of Proteins and
Nucleic Acids, Pure & Appl. Chem., Vol. 70, pp. 117-142, 1998) have been
standardized. Any other stereochemical violations are listed below.
E/Z NOMENCLATURE
E/Z nomenclature of hydrogens and/or nitrogens on Arg, Asn or Gln residues needs
to be corrected to conform with the standard for E/Z orientation presented in
[J.L. Markley, et al., Recommendations for the Presentation of NMR Structures of
Proteins and Nucleic Acids, Pure & Appl. Chem., 1998, 70, 117-142].
Model Chain Residue Residue Atom Name Original
Name Number Atom Name
----- ----- ------- ------- -------- ---------
1 A GLN 4 1HE2
1 A GLN 4 2HE2
1 A ASN 9 1HD2
1 A ASN 9 2HD2
1 A GLN 11 1HE2
1 A GLN 11 2HE2
1 A ASN 39 1HD2
1 A ASN 39 2HD2
1 A GLN 55 1HE2
1 A GLN 55 2HE2
1 A GLN 60 1HE2
1 A GLN 60 2HE2
1 A GLN 67 1HE2
1 A GLN 67 2HE2
1 A ASN 72 1HD2
1 A ASN 72 2HD2
1 B GLN 4 1HE2
1 B GLN 4 2HE2
1 B ASN 9 1HD2
1 B ASN 9 2HD2
1 B GLN 11 1HE2
1 B GLN 11 2HE2
1 B ASN 39 1HD2
1 B ASN 39 2HD2
1 B GLN 55 1HE2
1 B GLN 55 2HE2
1 B GLN 60 1HE2
1 B GLN 60 2HE2
1 B GLN 67 1HE2
1 B GLN 67 2HE2
1 B ASN 72 1HD2
1 B ASN 72 2HD2
2 A GLN 4 1HE2
2 A GLN 4 2HE2
2 A ASN 9 1HD2
2 A ASN 9 2HD2
2 A GLN 11 1HE2
2 A GLN 11 2HE2
2 A ASN 39 1HD2
2 A ASN 39 2HD2
2 A GLN 55 1HE2
2 A GLN 55 2HE2
2 A GLN 60 1HE2
2 A GLN 60 2HE2
2 A GLN 67 1HE2
2 A GLN 67 2HE2
2 A ASN 72 1HD2
2 A ASN 72 2HD2
2 B GLN 4 1HE2
2 B GLN 4 2HE2
2 B ASN 9 1HD2
2 B ASN 9 2HD2
2 B GLN 11 1HE2
2 B GLN 11 2HE2
2 B ASN 39 1HD2
2 B ASN 39 2HD2
2 B GLN 55 1HE2
2 B GLN 55 2HE2
2 B GLN 60 1HE2
2 B GLN 60 2HE2
2 B GLN 67 1HE2
2 B GLN 67 2HE2
2 B ASN 72 1HD2
2 B ASN 72 2HD2
3 A GLN 4 1HE2
3 A GLN 4 2HE2
3 A ASN 9 1HD2
3 A ASN 9 2HD2
3 A GLN 11 1HE2
3 A GLN 11 2HE2
3 A ASN 39 1HD2
3 A ASN 39 2HD2
3 A GLN 55 1HE2
3 A GLN 55 2HE2
3 A GLN 60 1HE2
3 A GLN 60 2HE2
3 A GLN 67 1HE2
3 A GLN 67 2HE2
3 A ASN 72 1HD2
3 A ASN 72 2HD2
3 B GLN 4 1HE2
3 B GLN 4 2HE2
3 B ASN 9 1HD2
3 B ASN 9 2HD2
3 B GLN 11 1HE2
3 B GLN 11 2HE2
3 B ASN 39 1HD2
3 B ASN 39 2HD2
3 B GLN 55 1HE2
3 B GLN 55 2HE2
3 B GLN 60 1HE2
3 B GLN 60 2HE2
3 B GLN 67 1HE2
3 B GLN 67 2HE2
3 B ASN 72 1HD2
3 B ASN 72 2HD2
4 A GLN 4 1HE2
4 A GLN 4 2HE2
4 A ASN 9 1HD2
4 A ASN 9 2HD2
4 A GLN 11 1HE2
4 A GLN 11 2HE2
4 A ASN 39 1HD2
4 A ASN 39 2HD2
4 A GLN 55 1HE2
4 A GLN 55 2HE2
4 A GLN 60 1HE2
4 A GLN 60 2HE2
4 A GLN 67 1HE2
4 A GLN 67 2HE2
4 A ASN 72 1HD2
4 A ASN 72 2HD2
4 B GLN 4 1HE2
4 B GLN 4 2HE2
4 B ASN 9 1HD2
4 B ASN 9 2HD2
4 B GLN 11 1HE2
4 B GLN 11 2HE2
4 B ASN 39 1HD2
4 B ASN 39 2HD2
4 B GLN 55 1HE2
4 B GLN 55 2HE2
4 B GLN 60 1HE2
4 B GLN 60 2HE2
4 B GLN 67 1HE2
4 B GLN 67 2HE2
4 B ASN 72 1HD2
4 B ASN 72 2HD2
5 A GLN 4 1HE2
5 A GLN 4 2HE2
5 A ASN 9 1HD2
5 A ASN 9 2HD2
5 A GLN 11 1HE2
5 A GLN 11 2HE2
5 A ASN 39 1HD2
5 A ASN 39 2HD2
5 A GLN 55 1HE2
5 A GLN 55 2HE2
5 A GLN 60 1HE2
5 A GLN 60 2HE2
5 A GLN 67 1HE2
5 A GLN 67 2HE2
5 A ASN 72 1HD2
5 A ASN 72 2HD2
5 B GLN 4 1HE2
5 B GLN 4 2HE2
5 B ASN 9 1HD2
5 B ASN 9 2HD2
5 B GLN 11 1HE2
5 B GLN 11 2HE2
5 B ASN 39 1HD2
5 B ASN 39 2HD2
5 B GLN 55 1HE2
5 B GLN 55 2HE2
5 B GLN 60 1HE2
5 B GLN 60 2HE2
5 B GLN 67 1HE2
5 B GLN 67 2HE2
5 B ASN 72 1HD2
5 B ASN 72 2HD2
6 A GLN 4 1HE2
6 A GLN 4 2HE2
6 A ASN 9 1HD2
6 A ASN 9 2HD2
6 A GLN 11 1HE2
6 A GLN 11 2HE2
6 A ASN 39 1HD2
6 A ASN 39 2HD2
6 A GLN 55 1HE2
6 A GLN 55 2HE2
6 A GLN 60 1HE2
6 A GLN 60 2HE2
6 A GLN 67 1HE2
6 A GLN 67 2HE2
6 A ASN 72 1HD2
6 A ASN 72 2HD2
6 B GLN 4 1HE2
6 B GLN 4 2HE2
6 B ASN 9 1HD2
6 B ASN 9 2HD2
6 B GLN 11 1HE2
6 B GLN 11 2HE2
6 B ASN 39 1HD2
6 B ASN 39 2HD2
6 B GLN 55 1HE2
6 B GLN 55 2HE2
6 B GLN 60 1HE2
6 B GLN 60 2HE2
6 B GLN 67 1HE2
6 B GLN 67 2HE2
6 B ASN 72 1HD2
6 B ASN 72 2HD2
7 A GLN 4 1HE2
7 A GLN 4 2HE2
7 A ASN 9 1HD2
7 A ASN 9 2HD2
7 A GLN 11 1HE2
7 A GLN 11 2HE2
7 A ASN 39 1HD2
7 A ASN 39 2HD2
7 A GLN 55 1HE2
7 A GLN 55 2HE2
7 A GLN 60 1HE2
7 A GLN 60 2HE2
7 A GLN 67 1HE2
7 A GLN 67 2HE2
7 A ASN 72 1HD2
7 A ASN 72 2HD2
7 B GLN 4 1HE2
7 B GLN 4 2HE2
7 B ASN 9 1HD2
7 B ASN 9 2HD2
7 B GLN 11 1HE2
7 B GLN 11 2HE2
7 B ASN 39 1HD2
7 B ASN 39 2HD2
7 B GLN 55 1HE2
7 B GLN 55 2HE2
7 B GLN 60 1HE2
7 B GLN 60 2HE2
7 B GLN 67 1HE2
7 B GLN 67 2HE2
7 B ASN 72 1HD2
7 B ASN 72 2HD2
8 A GLN 4 1HE2
8 A GLN 4 2HE2
8 A ASN 9 1HD2
8 A ASN 9 2HD2
8 A GLN 11 1HE2
8 A GLN 11 2HE2
8 A ASN 39 1HD2
8 A ASN 39 2HD2
8 A GLN 55 1HE2
8 A GLN 55 2HE2
8 A GLN 60 1HE2
8 A GLN 60 2HE2
8 A GLN 67 1HE2
8 A GLN 67 2HE2
8 A ASN 72 1HD2
8 A ASN 72 2HD2
8 B GLN 4 1HE2
8 B GLN 4 2HE2
8 B ASN 9 1HD2
8 B ASN 9 2HD2
8 B GLN 11 1HE2
8 B GLN 11 2HE2
8 B ASN 39 1HD2
8 B ASN 39 2HD2
8 B GLN 55 1HE2
8 B GLN 55 2HE2
8 B GLN 60 1HE2
8 B GLN 60 2HE2
8 B GLN 67 1HE2
8 B GLN 67 2HE2
8 B ASN 72 1HD2
8 B ASN 72 2HD2
9 A GLN 4 1HE2
9 A GLN 4 2HE2
9 A ASN 9 1HD2
9 A ASN 9 2HD2
9 A GLN 11 1HE2
9 A GLN 11 2HE2
9 A ASN 39 1HD2
9 A ASN 39 2HD2
9 A GLN 55 1HE2
9 A GLN 55 2HE2
9 A GLN 60 1HE2
9 A GLN 60 2HE2
9 A GLN 67 1HE2
9 A GLN 67 2HE2
9 A ASN 72 1HD2
9 A ASN 72 2HD2
9 B GLN 4 1HE2
9 B GLN 4 2HE2
9 B ASN 9 1HD2
9 B ASN 9 2HD2
9 B GLN 11 1HE2
9 B GLN 11 2HE2
9 B ASN 39 1HD2
9 B ASN 39 2HD2
9 B GLN 55 1HE2
9 B GLN 55 2HE2
9 B GLN 60 1HE2
9 B GLN 60 2HE2
9 B GLN 67 1HE2
9 B GLN 67 2HE2
9 B ASN 72 1HD2
9 B ASN 72 2HD2
10 A GLN 4 1HE2
10 A GLN 4 2HE2
10 A ASN 9 1HD2
10 A ASN 9 2HD2
10 A GLN 11 1HE2
10 A GLN 11 2HE2
10 A ASN 39 1HD2
10 A ASN 39 2HD2
10 A GLN 55 1HE2
10 A GLN 55 2HE2
10 A GLN 60 1HE2
10 A GLN 60 2HE2
10 A GLN 67 1HE2
10 A GLN 67 2HE2
10 A ASN 72 1HD2
10 A ASN 72 2HD2
10 B GLN 4 1HE2
10 B GLN 4 2HE2
10 B ASN 9 1HD2
10 B ASN 9 2HD2
10 B GLN 11 1HE2
10 B GLN 11 2HE2
10 B ASN 39 1HD2
10 B ASN 39 2HD2
10 B GLN 55 1HE2
10 B GLN 55 2HE2
10 B GLN 60 1HE2
10 B GLN 60 2HE2
10 B GLN 67 1HE2
10 B GLN 67 2HE2
10 B ASN 72 1HD2
10 B ASN 72 2HD2
11 A GLN 4 1HE2
11 A GLN 4 2HE2
11 A ASN 9 1HD2
11 A ASN 9 2HD2
11 A GLN 11 1HE2
11 A GLN 11 2HE2
11 A ASN 39 1HD2
11 A ASN 39 2HD2
11 A GLN 55 1HE2
11 A GLN 55 2HE2
11 A GLN 60 1HE2
11 A GLN 60 2HE2
11 A GLN 67 1HE2
11 A GLN 67 2HE2
11 A ASN 72 1HD2
11 A ASN 72 2HD2
11 B GLN 4 1HE2
11 B GLN 4 2HE2
11 B ASN 9 1HD2
11 B ASN 9 2HD2
11 B GLN 11 1HE2
11 B GLN 11 2HE2
11 B ASN 39 1HD2
11 B ASN 39 2HD2
11 B GLN 55 1HE2
11 B GLN 55 2HE2
11 B GLN 60 1HE2
11 B GLN 60 2HE2
11 B GLN 67 1HE2
11 B GLN 67 2HE2
11 B ASN 72 1HD2
11 B ASN 72 2HD2
12 A GLN 4 1HE2
12 A GLN 4 2HE2
12 A ASN 9 1HD2
12 A ASN 9 2HD2
12 A GLN 11 1HE2
12 A GLN 11 2HE2
12 A ASN 39 1HD2
12 A ASN 39 2HD2
12 A GLN 55 1HE2
12 A GLN 55 2HE2
12 A GLN 60 1HE2
12 A GLN 60 2HE2
12 A GLN 67 1HE2
12 A GLN 67 2HE2
12 A ASN 72 1HD2
12 A ASN 72 2HD2
12 B GLN 4 1HE2
12 B GLN 4 2HE2
12 B ASN 9 1HD2
12 B ASN 9 2HD2
12 B GLN 11 1HE2
12 B GLN 11 2HE2
12 B ASN 39 1HD2
12 B ASN 39 2HD2
12 B GLN 55 1HE2
12 B GLN 55 2HE2
12 B GLN 60 1HE2
12 B GLN 60 2HE2
12 B GLN 67 1HE2
12 B GLN 67 2HE2
12 B ASN 72 1HD2
12 B ASN 72 2HD2
13 A GLN 4 1HE2
13 A GLN 4 2HE2
13 A ASN 9 1HD2
13 A ASN 9 2HD2
13 A GLN 11 1HE2
13 A GLN 11 2HE2
13 A ASN 39 1HD2
13 A ASN 39 2HD2
13 A GLN 55 1HE2
13 A GLN 55 2HE2
13 A GLN 60 1HE2
13 A GLN 60 2HE2
13 A GLN 67 1HE2
13 A GLN 67 2HE2
13 A ASN 72 1HD2
13 A ASN 72 2HD2
13 B GLN 4 1HE2
13 B GLN 4 2HE2
13 B ASN 9 1HD2
13 B ASN 9 2HD2
13 B GLN 11 1HE2
13 B GLN 11 2HE2
13 B ASN 39 1HD2
13 B ASN 39 2HD2
13 B GLN 55 1HE2
13 B GLN 55 2HE2
13 B GLN 60 1HE2
13 B GLN 60 2HE2
13 B GLN 67 1HE2
13 B GLN 67 2HE2
13 B ASN 72 1HD2
13 B ASN 72 2HD2
14 A GLN 4 1HE2
14 A GLN 4 2HE2
14 A ASN 9 1HD2
14 A ASN 9 2HD2
14 A GLN 11 1HE2
14 A GLN 11 2HE2
14 A ASN 39 1HD2
14 A ASN 39 2HD2
14 A GLN 55 1HE2
14 A GLN 55 2HE2
14 A GLN 60 1HE2
14 A GLN 60 2HE2
14 A GLN 67 1HE2
14 A GLN 67 2HE2
14 A ASN 72 1HD2
14 A ASN 72 2HD2
14 B GLN 4 1HE2
14 B GLN 4 2HE2
14 B ASN 9 1HD2
14 B ASN 9 2HD2
14 B GLN 11 1HE2
14 B GLN 11 2HE2
14 B ASN 39 1HD2
14 B ASN 39 2HD2
14 B GLN 55 1HE2
14 B GLN 55 2HE2
14 B GLN 60 1HE2
14 B GLN 60 2HE2
14 B GLN 67 1HE2
14 B GLN 67 2HE2
14 B ASN 72 1HD2
14 B ASN 72 2HD2
15 A GLN 4 1HE2
15 A GLN 4 2HE2
15 A ASN 9 1HD2
15 A ASN 9 2HD2
15 A GLN 11 1HE2
15 A GLN 11 2HE2
15 A ASN 39 1HD2
15 A ASN 39 2HD2
15 A GLN 55 1HE2
15 A GLN 55 2HE2
15 A GLN 60 1HE2
15 A GLN 60 2HE2
15 A GLN 67 1HE2
15 A GLN 67 2HE2
15 A ASN 72 1HD2
15 A ASN 72 2HD2
15 B GLN 4 1HE2
15 B GLN 4 2HE2
15 B ASN 9 1HD2
15 B ASN 9 2HD2
15 B GLN 11 1HE2
15 B GLN 11 2HE2
15 B ASN 39 1HD2
15 B ASN 39 2HD2
15 B GLN 55 1HE2
15 B GLN 55 2HE2
15 B GLN 60 1HE2
15 B GLN 60 2HE2
15 B GLN 67 1HE2
15 B GLN 67 2HE2
15 B ASN 72 1HD2
15 B ASN 72 2HD2
16 A GLN 4 1HE2
16 A GLN 4 2HE2
16 A ASN 9 1HD2
16 A ASN 9 2HD2
16 A GLN 11 1HE2
16 A GLN 11 2HE2
16 A ASN 39 1HD2
16 A ASN 39 2HD2
16 A GLN 55 1HE2
16 A GLN 55 2HE2
16 A GLN 60 1HE2
16 A GLN 60 2HE2
16 A GLN 67 1HE2
16 A GLN 67 2HE2
16 A ASN 72 1HD2
16 A ASN 72 2HD2
16 B GLN 4 1HE2
16 B GLN 4 2HE2
16 B ASN 9 1HD2
16 B ASN 9 2HD2
16 B GLN 11 1HE2
16 B GLN 11 2HE2
16 B ASN 39 1HD2
16 B ASN 39 2HD2
16 B GLN 55 1HE2
16 B GLN 55 2HE2
16 B GLN 60 1HE2
16 B GLN 60 2HE2
16 B GLN 67 1HE2
16 B GLN 67 2HE2
16 B ASN 72 1HD2
16 B ASN 72 2HD2
17 A GLN 4 1HE2
17 A GLN 4 2HE2
17 A ASN 9 1HD2
17 A ASN 9 2HD2
17 A GLN 11 1HE2
17 A GLN 11 2HE2
17 A ASN 39 1HD2
17 A ASN 39 2HD2
17 A GLN 55 1HE2
17 A GLN 55 2HE2
17 A GLN 60 1HE2
17 A GLN 60 2HE2
17 A GLN 67 1HE2
17 A GLN 67 2HE2
17 A ASN 72 1HD2
17 A ASN 72 2HD2
17 B GLN 4 1HE2
17 B GLN 4 2HE2
17 B ASN 9 1HD2
17 B ASN 9 2HD2
17 B GLN 11 1HE2
17 B GLN 11 2HE2
17 B ASN 39 1HD2
17 B ASN 39 2HD2
17 B GLN 55 1HE2
17 B GLN 55 2HE2
17 B GLN 60 1HE2
17 B GLN 60 2HE2
17 B GLN 67 1HE2
17 B GLN 67 2HE2
17 B ASN 72 1HD2
17 B ASN 72 2HD2
18 A GLN 4 1HE2
18 A GLN 4 2HE2
18 A ASN 9 1HD2
18 A ASN 9 2HD2
18 A GLN 11 1HE2
18 A GLN 11 2HE2
18 A ASN 39 1HD2
18 A ASN 39 2HD2
18 A GLN 55 1HE2
18 A GLN 55 2HE2
18 A GLN 60 1HE2
18 A GLN 60 2HE2
18 A GLN 67 1HE2
18 A GLN 67 2HE2
18 A ASN 72 1HD2
18 A ASN 72 2HD2
18 B GLN 4 1HE2
18 B GLN 4 2HE2
18 B ASN 9 1HD2
18 B ASN 9 2HD2
18 B GLN 11 1HE2
18 B GLN 11 2HE2
18 B ASN 39 1HD2
18 B ASN 39 2HD2
18 B GLN 55 1HE2
18 B GLN 55 2HE2
18 B GLN 60 1HE2
18 B GLN 60 2HE2
18 B GLN 67 1HE2
18 B GLN 67 2HE2
18 B ASN 72 1HD2
18 B ASN 72 2HD2
19 A GLN 4 1HE2
19 A GLN 4 2HE2
19 A ASN 9 1HD2
19 A ASN 9 2HD2
19 A GLN 11 1HE2
19 A GLN 11 2HE2
19 A ASN 39 1HD2
19 A ASN 39 2HD2
19 A GLN 55 1HE2
19 A GLN 55 2HE2
19 A GLN 60 1HE2
19 A GLN 60 2HE2
19 A GLN 67 1HE2
19 A GLN 67 2HE2
19 A ASN 72 1HD2
19 A ASN 72 2HD2
19 B GLN 4 1HE2
19 B GLN 4 2HE2
19 B ASN 9 1HD2
19 B ASN 9 2HD2
19 B GLN 11 1HE2
19 B GLN 11 2HE2
19 B ASN 39 1HD2
19 B ASN 39 2HD2
19 B GLN 55 1HE2
19 B GLN 55 2HE2
19 B GLN 60 1HE2
19 B GLN 60 2HE2
19 B GLN 67 1HE2
19 B GLN 67 2HE2
19 B ASN 72 1HD2
19 B ASN 72 2HD2
20 A GLN 4 1HE2
20 A GLN 4 2HE2
20 A ASN 9 1HD2
20 A ASN 9 2HD2
20 A GLN 11 1HE2
20 A GLN 11 2HE2
20 A ASN 39 1HD2
20 A ASN 39 2HD2
20 A GLN 55 1HE2
20 A GLN 55 2HE2
20 A GLN 60 1HE2
20 A GLN 60 2HE2
20 A GLN 67 1HE2
20 A GLN 67 2HE2
20 A ASN 72 1HD2
20 A ASN 72 2HD2
20 B GLN 4 1HE2
20 B GLN 4 2HE2
20 B ASN 9 1HD2
20 B ASN 9 2HD2
20 B GLN 11 1HE2
20 B GLN 11 2HE2
20 B ASN 39 1HD2
20 B ASN 39 2HD2
20 B GLN 55 1HE2
20 B GLN 55 2HE2
20 B GLN 60 1HE2
20 B GLN 60 2HE2
20 B GLN 67 1HE2
20 B GLN 67 2HE2
20 B ASN 72 1HD2
20 B ASN 72 2HD2
OTHER IMPORTANT ISSUES
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
GLU( 1 A 13) HE2
GLU( 1 A 18) HE2
GLU( 1 A 24) HE2
HIS( 1 A 26) HE2
ASP( 1 A 31) HD2
HIS( 1 A 43) HD1
GLU( 1 A 46) HE2
GLU( 1 A 52) HE2
GLU( 1 A 59) HE2
GLU( 1 A 74) HE2
HIS( 1 A 75) HE2
HIS( 1 A 76) HD1
HIS( 1 A 77) HE2
HIS( 1 A 78) HD1
HIS( 1 A 79) HE2
HIS( 1 A 80) HD1
GLU( 1 B 13) HE2
GLU( 1 B 18) HE2
GLU( 1 B 24) HE2
HIS( 1 B 26) HE2
ASP( 1 B 31) HD2
HIS( 1 B 43) HD1
GLU( 1 B 46) HE2
GLU( 1 B 52) HE2
GLU( 1 B 59) HE2
GLU( 1 B 74) HE2
HIS( 1 B 75) HE2
HIS( 1 B 76) HD1
HIS( 1 B 77) HE2
HIS( 1 B 78) HD1
HIS( 1 B 79) HE2
HIS( 1 B 80) HD1
GLU( 2 A 13) HE2
GLU( 2 A 18) HE2
GLU( 2 A 24) HE2
HIS( 2 A 26) HE2
ASP( 2 A 31) HD2
HIS( 2 A 43) HD1
GLU( 2 A 46) HE2
GLU( 2 A 52) HE2
GLU( 2 A 59) HE2
GLU( 2 A 74) HE2
HIS( 2 A 75) HE2
HIS( 2 A 76) HD1
HIS( 2 A 77) HE2
HIS( 2 A 78) HD1
HIS( 2 A 79) HD1
HIS( 2 A 80) HE2
GLU( 2 B 13) HE2
GLU( 2 B 18) HE2
GLU( 2 B 24) HE2
HIS( 2 B 26) HE2
ASP( 2 B 31) HD2
HIS( 2 B 43) HD1
GLU( 2 B 46) HE2
GLU( 2 B 52) HE2
GLU( 2 B 59) HE2
GLU( 2 B 74) HE2
HIS( 2 B 75) HE2
HIS( 2 B 76) HD1
HIS( 2 B 77) HE2
HIS( 2 B 78) HD1
HIS( 2 B 79) HD1
HIS( 2 B 80) HE2
GLU( 3 A 13) HE2
GLU( 3 A 18) HE2
GLU( 3 A 24) HE2
HIS( 3 A 26) HD1
ASP( 3 A 31) HD2
HIS( 3 A 43) HE2
GLU( 3 A 46) HE2
GLU( 3 A 52) HE2
GLU( 3 A 59) HE2
GLU( 3 A 74) HE2
HIS( 3 A 75) HD1
HIS( 3 A 76) HD1
HIS( 3 A 77) HE2
HIS( 3 A 78) HE2
HIS( 3 A 79) HE2
HIS( 3 A 80) HD1
GLU( 3 B 13) HE2
GLU( 3 B 18) HE2
GLU( 3 B 24) HE2
HIS( 3 B 26) HD1
ASP( 3 B 31) HD2
HIS( 3 B 43) HE2
GLU( 3 B 46) HE2
GLU( 3 B 52) HE2
GLU( 3 B 59) HE2
GLU( 3 B 74) HE2
HIS( 3 B 75) HD1
HIS( 3 B 76) HD1
HIS( 3 B 77) HE2
HIS( 3 B 78) HE2
HIS( 3 B 79) HE2
HIS( 3 B 80) HD1
GLU( 4 A 13) HE2
GLU( 4 A 18) HE2
GLU( 4 A 24) HE2
HIS( 4 A 26) HE2
ASP( 4 A 31) HD2
HIS( 4 A 43) HD1
GLU( 4 A 46) HE2
GLU( 4 A 52) HE2
GLU( 4 A 59) HE2
GLU( 4 A 74) HE2
HIS( 4 A 75) HD1
HIS( 4 A 76) HD1
HIS( 4 A 77) HD1
HIS( 4 A 78) HE2
HIS( 4 A 79) HE2
HIS( 4 A 80) HE2
GLU( 4 B 13) HE2
GLU( 4 B 18) HE2
GLU( 4 B 24) HE2
HIS( 4 B 26) HE2
ASP( 4 B 31) HD2
HIS( 4 B 43) HD1
GLU( 4 B 46) HE2
GLU( 4 B 52) HE2
GLU( 4 B 59) HE2
GLU( 4 B 74) HE2
HIS( 4 B 75) HD1
HIS( 4 B 76) HD1
HIS( 4 B 77) HD1
HIS( 4 B 78) HE2
HIS( 4 B 79) HE2
HIS( 4 B 80) HE2
GLU( 5 A 13) HE2
GLU( 5 A 18) HE2
GLU( 5 A 24) HE2
HIS( 5 A 26) HD1
ASP( 5 A 31) HD2
HIS( 5 A 43) HD1
GLU( 5 A 46) HE2
GLU( 5 A 52) HE2
GLU( 5 A 59) HE2
GLU( 5 A 74) HE2
HIS( 5 A 75) HD1
HIS( 5 A 76) HE2
HIS( 5 A 77) HE2
HIS( 5 A 78) HD1
HIS( 5 A 79) HE2
HIS( 5 A 80) HD1
GLU( 5 B 13) HE2
GLU( 5 B 18) HE2
GLU( 5 B 24) HE2
HIS( 5 B 26) HD1
ASP( 5 B 31) HD2
HIS( 5 B 43) HD1
GLU( 5 B 46) HE2
GLU( 5 B 52) HE2
GLU( 5 B 59) HE2
GLU( 5 B 74) HE2
HIS( 5 B 75) HD1
HIS( 5 B 76) HE2
HIS( 5 B 77) HE2
HIS( 5 B 78) HD1
HIS( 5 B 79) HE2
HIS( 5 B 80) HD1
GLU( 6 A 13) HE2
GLU( 6 A 18) HE2
GLU( 6 A 24) HE2
HIS( 6 A 26) HE2
ASP( 6 A 31) HD2
HIS( 6 A 43) HD1
GLU( 6 A 46) HE2
GLU( 6 A 52) HE2
GLU( 6 A 59) HE2
GLU( 6 A 74) HE2
HIS( 6 A 75) HE2
HIS( 6 A 76) HD1
HIS( 6 A 77) HE2
HIS( 6 A 78) HD1
HIS( 6 A 79) HE2
HIS( 6 A 80) HE2
GLU( 6 B 13) HE2
GLU( 6 B 18) HE2
GLU( 6 B 24) HE2
HIS( 6 B 26) HE2
ASP( 6 B 31) HD2
HIS( 6 B 43) HD1
GLU( 6 B 46) HE2
GLU( 6 B 52) HE2
GLU( 6 B 59) HE2
GLU( 6 B 74) HE2
HIS( 6 B 75) HE2
HIS( 6 B 76) HD1
HIS( 6 B 77) HE2
HIS( 6 B 78) HD1
HIS( 6 B 79) HE2
HIS( 6 B 80) HE2
GLU( 7 A 13) HE2
GLU( 7 A 18) HE2
GLU( 7 A 24) HE2
HIS( 7 A 26) HE2
ASP( 7 A 31) HD2
HIS( 7 A 43) HE2
GLU( 7 A 46) HE2
GLU( 7 A 52) HE2
GLU( 7 A 59) HE2
GLU( 7 A 74) HE2
HIS( 7 A 75) HE2
HIS( 7 A 76) HE2
HIS( 7 A 77) HE2
HIS( 7 A 78) HD1
HIS( 7 A 79) HE2
HIS( 7 A 80) HD1
GLU( 7 B 13) HE2
GLU( 7 B 18) HE2
GLU( 7 B 24) HE2
HIS( 7 B 26) HE2
ASP( 7 B 31) HD2
HIS( 7 B 43) HE2
GLU( 7 B 46) HE2
GLU( 7 B 52) HE2
GLU( 7 B 59) HE2
GLU( 7 B 74) HE2
HIS( 7 B 75) HE2
HIS( 7 B 76) HE2
HIS( 7 B 77) HE2
HIS( 7 B 78) HD1
HIS( 7 B 79) HE2
HIS( 7 B 80) HD1
GLU( 8 A 13) HE2
GLU( 8 A 18) HE2
GLU( 8 A 24) HE2
HIS( 8 A 26) HE2
ASP( 8 A 31) HD2
HIS( 8 A 43) HE2
GLU( 8 A 46) HE2
GLU( 8 A 52) HE2
GLU( 8 A 59) HE2
GLU( 8 A 74) HE2
HIS( 8 A 75) HE2
HIS( 8 A 76) HD1
HIS( 8 A 77) HE2
HIS( 8 A 78) HE2
HIS( 8 A 79) HD1
HIS( 8 A 80) HD1
GLU( 8 B 13) HE2
GLU( 8 B 18) HE2
GLU( 8 B 24) HE2
HIS( 8 B 26) HE2
ASP( 8 B 31) HD2
HIS( 8 B 43) HE2
GLU( 8 B 46) HE2
GLU( 8 B 52) HE2
GLU( 8 B 59) HE2
GLU( 8 B 74) HE2
HIS( 8 B 75) HE2
HIS( 8 B 76) HD1
HIS( 8 B 77) HE2
HIS( 8 B 78) HE2
HIS( 8 B 79) HD1
HIS( 8 B 80) HD1
GLU( 9 A 13) HE2
GLU( 9 A 18) HE2
GLU( 9 A 24) HE2
HIS( 9 A 26) HE2
ASP( 9 A 31) HD2
HIS( 9 A 43) HE2
GLU( 9 A 46) HE2
GLU( 9 A 52) HE2
GLU( 9 A 59) HE2
GLU( 9 A 74) HE2
HIS( 9 A 75) HD1
HIS( 9 A 76) HE2
HIS( 9 A 77) HE2
HIS( 9 A 78) HD1
HIS( 9 A 79) HD1
HIS( 9 A 80) HE2
GLU( 9 B 13) HE2
GLU( 9 B 18) HE2
GLU( 9 B 24) HE2
HIS( 9 B 26) HE2
ASP( 9 B 31) HD2
HIS( 9 B 43) HE2
GLU( 9 B 46) HE2
GLU( 9 B 52) HE2
GLU( 9 B 59) HE2
GLU( 9 B 74) HE2
HIS( 9 B 75) HD1
HIS( 9 B 76) HE2
HIS( 9 B 77) HE2
HIS( 9 B 78) HD1
HIS( 9 B 79) HD1
HIS( 9 B 80) HE2
GLU( 10 A 13) HE2
GLU( 10 A 18) HE2
GLU( 10 A 24) HE2
HIS( 10 A 26) HE2
ASP( 10 A 31) HD2
HIS( 10 A 43) HD1
GLU( 10 A 46) HE2
GLU( 10 A 52) HE2
GLU( 10 A 59) HE2
GLU( 10 A 74) HE2
HIS( 10 A 75) HD1
HIS( 10 A 76) HD1
HIS( 10 A 77) HD1
HIS( 10 A 78) HE2
HIS( 10 A 79) HE2
HIS( 10 A 80) HD1
GLU( 10 B 13) HE2
GLU( 10 B 18) HE2
GLU( 10 B 24) HE2
HIS( 10 B 26) HE2
ASP( 10 B 31) HD2
HIS( 10 B 43) HD1
GLU( 10 B 46) HE2
GLU( 10 B 52) HE2
GLU( 10 B 59) HE2
GLU( 10 B 74) HE2
HIS( 10 B 75) HD1
HIS( 10 B 76) HD1
HIS( 10 B 77) HD1
HIS( 10 B 78) HE2
HIS( 10 B 79) HE2
HIS( 10 B 80) HD1
GLU( 11 A 13) HE2
GLU( 11 A 18) HE2
GLU( 11 A 24) HE2
HIS( 11 A 26) HE2
ASP( 11 A 31) HD2
HIS( 11 A 43) HD1
GLU( 11 A 46) HE2
GLU( 11 A 52) HE2
GLU( 11 A 59) HE2
GLU( 11 A 74) HE2
HIS( 11 A 75) HE2
HIS( 11 A 76) HD1
HIS( 11 A 77) HE2
HIS( 11 A 78) HE2
HIS( 11 A 79) HD1
HIS( 11 A 80) HE2
GLU( 11 B 13) HE2
GLU( 11 B 18) HE2
GLU( 11 B 24) HE2
HIS( 11 B 26) HE2
ASP( 11 B 31) HD2
HIS( 11 B 43) HD1
GLU( 11 B 46) HE2
GLU( 11 B 52) HE2
GLU( 11 B 59) HE2
GLU( 11 B 74) HE2
HIS( 11 B 75) HE2
HIS( 11 B 76) HD1
HIS( 11 B 77) HE2
HIS( 11 B 78) HE2
HIS( 11 B 79) HD1
HIS( 11 B 80) HE2
GLU( 12 A 13) HE2
GLU( 12 A 18) HE2
GLU( 12 A 24) HE2
HIS( 12 A 26) HD1
ASP( 12 A 31) HD2
HIS( 12 A 43) HE2
GLU( 12 A 46) HE2
GLU( 12 A 52) HE2
GLU( 12 A 59) HE2
GLU( 12 A 74) HE2
HIS( 12 A 75) HE2
HIS( 12 A 76) HD1
HIS( 12 A 77) HE2
HIS( 12 A 78) HD1
HIS( 12 A 79) HE2
HIS( 12 A 80) HD1
GLU( 12 B 13) HE2
GLU( 12 B 18) HE2
GLU( 12 B 24) HE2
HIS( 12 B 26) HD1
ASP( 12 B 31) HD2
HIS( 12 B 43) HE2
GLU( 12 B 46) HE2
GLU( 12 B 52) HE2
GLU( 12 B 59) HE2
GLU( 12 B 74) HE2
HIS( 12 B 75) HE2
HIS( 12 B 76) HD1
HIS( 12 B 77) HE2
HIS( 12 B 78) HD1
HIS( 12 B 79) HE2
HIS( 12 B 80) HD1
GLU( 13 A 13) HE2
GLU( 13 A 18) HE2
GLU( 13 A 24) HE2
HIS( 13 A 26) HD1
ASP( 13 A 31) HD2
HIS( 13 A 43) HE2
GLU( 13 A 46) HE2
GLU( 13 A 52) HE2
GLU( 13 A 59) HE2
GLU( 13 A 74) HE2
HIS( 13 A 75) HE2
HIS( 13 A 76) HD1
HIS( 13 A 77) HD1
HIS( 13 A 78) HD1
HIS( 13 A 79) HD1
HIS( 13 A 80) HE2
GLU( 13 B 13) HE2
GLU( 13 B 18) HE2
GLU( 13 B 24) HE2
HIS( 13 B 26) HD1
ASP( 13 B 31) HD2
HIS( 13 B 43) HE2
GLU( 13 B 46) HE2
GLU( 13 B 52) HE2
GLU( 13 B 59) HE2
GLU( 13 B 74) HE2
HIS( 13 B 75) HE2
HIS( 13 B 76) HD1
HIS( 13 B 77) HD1
HIS( 13 B 78) HD1
HIS( 13 B 79) HD1
HIS( 13 B 80) HE2
GLU( 14 A 13) HE2
GLU( 14 A 18) HE2
GLU( 14 A 24) HE2
HIS( 14 A 26) HD1
ASP( 14 A 31) HD2
HIS( 14 A 43) HE2
GLU( 14 A 46) HE2
GLU( 14 A 52) HE2
GLU( 14 A 59) HE2
GLU( 14 A 74) HE2
HIS( 14 A 75) HE2
HIS( 14 A 76) HE2
HIS( 14 A 77) HD1
HIS( 14 A 78) HD1
HIS( 14 A 79) HD1
HIS( 14 A 80) HD1
GLU( 14 B 13) HE2
GLU( 14 B 18) HE2
GLU( 14 B 24) HE2
HIS( 14 B 26) HD1
ASP( 14 B 31) HD2
HIS( 14 B 43) HE2
GLU( 14 B 46) HE2
GLU( 14 B 52) HE2
GLU( 14 B 59) HE2
GLU( 14 B 74) HE2
HIS( 14 B 75) HE2
HIS( 14 B 76) HE2
HIS( 14 B 77) HD1
HIS( 14 B 78) HD1
HIS( 14 B 79) HD1
HIS( 14 B 80) HD1
GLU( 15 A 13) HE2
GLU( 15 A 18) HE2
GLU( 15 A 24) HE2
HIS( 15 A 26) HE2
ASP( 15 A 31) HD2
HIS( 15 A 43) HD1
GLU( 15 A 46) HE2
GLU( 15 A 52) HE2
GLU( 15 A 59) HE2
GLU( 15 A 74) HE2
HIS( 15 A 75) HE2
HIS( 15 A 76) HD1
HIS( 15 A 77) HD1
HIS( 15 A 78) HE2
HIS( 15 A 79) HD1
HIS( 15 A 80) HD1
GLU( 15 B 13) HE2
GLU( 15 B 18) HE2
GLU( 15 B 24) HE2
HIS( 15 B 26) HE2
ASP( 15 B 31) HD2
HIS( 15 B 43) HD1
GLU( 15 B 46) HE2
GLU( 15 B 52) HE2
GLU( 15 B 59) HE2
GLU( 15 B 74) HE2
HIS( 15 B 75) HE2
HIS( 15 B 76) HD1
HIS( 15 B 77) HD1
HIS( 15 B 78) HE2
HIS( 15 B 79) HD1
HIS( 15 B 80) HD1
GLU( 16 A 13) HE2
GLU( 16 A 18) HE2
GLU( 16 A 24) HE2
HIS( 16 A 26) HD1
ASP( 16 A 31) HD2
HIS( 16 A 43) HD1
GLU( 16 A 46) HE2
GLU( 16 A 52) HE2
GLU( 16 A 59) HE2
GLU( 16 A 74) HE2
HIS( 16 A 75) HE2
HIS( 16 A 76) HE2
HIS( 16 A 77) HE2
HIS( 16 A 78) HE2
HIS( 16 A 79) HE2
HIS( 16 A 80) HE2
GLU( 16 B 13) HE2
GLU( 16 B 18) HE2
GLU( 16 B 24) HE2
HIS( 16 B 26) HD1
ASP( 16 B 31) HD2
HIS( 16 B 43) HD1
GLU( 16 B 46) HE2
GLU( 16 B 52) HE2
GLU( 16 B 59) HE2
GLU( 16 B 74) HE2
HIS( 16 B 75) HE2
HIS( 16 B 76) HE2
HIS( 16 B 77) HE2
HIS( 16 B 78) HE2
HIS( 16 B 79) HE2
HIS( 16 B 80) HE2
GLU( 17 A 13) HE2
GLU( 17 A 18) HE2
GLU( 17 A 24) HE2
HIS( 17 A 26) HE2
ASP( 17 A 31) HD2
HIS( 17 A 43) HE2
GLU( 17 A 46) HE2
GLU( 17 A 52) HE2
GLU( 17 A 59) HE2
GLU( 17 A 74) HE2
HIS( 17 A 75) HE2
HIS( 17 A 76) HD1
HIS( 17 A 77) HE2
HIS( 17 A 78) HD1
HIS( 17 A 79) HE2
HIS( 17 A 80) HE2
GLU( 17 B 13) HE2
GLU( 17 B 18) HE2
GLU( 17 B 24) HE2
HIS( 17 B 26) HE2
ASP( 17 B 31) HD2
HIS( 17 B 43) HE2
GLU( 17 B 46) HE2
GLU( 17 B 52) HE2
GLU( 17 B 59) HE2
GLU( 17 B 74) HE2
HIS( 17 B 75) HE2
HIS( 17 B 76) HD1
HIS( 17 B 77) HE2
HIS( 17 B 78) HD1
HIS( 17 B 79) HE2
HIS( 17 B 80) HE2
GLU( 18 A 13) HE2
GLU( 18 A 18) HE2
GLU( 18 A 24) HE2
HIS( 18 A 26) HE2
ASP( 18 A 31) HD2
HIS( 18 A 43) HE2
GLU( 18 A 46) HE2
GLU( 18 A 52) HE2
GLU( 18 A 59) HE2
GLU( 18 A 74) HE2
HIS( 18 A 75) HE2
HIS( 18 A 76) HD1
HIS( 18 A 77) HE2
HIS( 18 A 78) HE2
HIS( 18 A 79) HD1
HIS( 18 A 80) HE2
GLU( 18 B 13) HE2
GLU( 18 B 18) HE2
GLU( 18 B 24) HE2
HIS( 18 B 26) HE2
ASP( 18 B 31) HD2
HIS( 18 B 43) HE2
GLU( 18 B 46) HE2
GLU( 18 B 52) HE2
GLU( 18 B 59) HE2
GLU( 18 B 74) HE2
HIS( 18 B 75) HE2
HIS( 18 B 76) HD1
HIS( 18 B 77) HE2
HIS( 18 B 78) HE2
HIS( 18 B 79) HD1
HIS( 18 B 80) HE2
GLU( 19 A 13) HE2
GLU( 19 A 18) HE2
GLU( 19 A 24) HE2
HIS( 19 A 26) HE2
ASP( 19 A 31) HD2
HIS( 19 A 43) HE2
GLU( 19 A 46) HE2
GLU( 19 A 52) HE2
GLU( 19 A 59) HE2
GLU( 19 A 74) HE2
HIS( 19 A 75) HD1
HIS( 19 A 76) HE2
HIS( 19 A 77) HE2
HIS( 19 A 78) HE2
HIS( 19 A 79) HD1
HIS( 19 A 80) HD1
GLU( 19 B 13) HE2
GLU( 19 B 18) HE2
GLU( 19 B 24) HE2
HIS( 19 B 26) HE2
ASP( 19 B 31) HD2
HIS( 19 B 43) HE2
GLU( 19 B 46) HE2
GLU( 19 B 52) HE2
GLU( 19 B 59) HE2
GLU( 19 B 74) HE2
HIS( 19 B 75) HD1
HIS( 19 B 76) HE2
HIS( 19 B 77) HE2
HIS( 19 B 78) HE2
HIS( 19 B 79) HD1
HIS( 19 B 80) HD1
GLU( 20 A 13) HE2
GLU( 20 A 18) HE2
GLU( 20 A 24) HE2
HIS( 20 A 26) HE2
ASP( 20 A 31) HD2
HIS( 20 A 43) HE2
GLU( 20 A 46) HE2
GLU( 20 A 52) HE2
GLU( 20 A 59) HE2
GLU( 20 A 74) HE2
HIS( 20 A 75) HD1
HIS( 20 A 76) HD1
HIS( 20 A 77) HE2
HIS( 20 A 78) HE2
HIS( 20 A 79) HD1
HIS( 20 A 80) HD1
GLU( 20 B 13) HE2
GLU( 20 B 18) HE2
GLU( 20 B 24) HE2
HIS( 20 B 26) HE2
ASP( 20 B 31) HD2
HIS( 20 B 43) HE2
GLU( 20 B 46) HE2
GLU( 20 B 52) HE2
GLU( 20 B 59) HE2
GLU( 20 B 74) HE2
HIS( 20 B 75) HD1
HIS( 20 B 76) HD1
HIS( 20 B 77) HE2
HIS( 20 B 78) HE2
HIS( 20 B 79) HD1
HIS( 20 B 80) HD1
==> The following residues have extra atoms:
RES MOD#C SEQ ATOMS
HIS( 1 A 80) O2
HIS( 1 B 80) O2
HIS( 2 A 80) O2
HIS( 2 B 80) O2
HIS( 3 A 80) O2
HIS( 3 B 80) O2
HIS( 4 A 80) O2
HIS( 4 B 80) O2
HIS( 5 A 80) O2
HIS( 5 B 80) O2
HIS( 6 A 80) O2
HIS( 6 B 80) O2
HIS( 7 A 80) O2
HIS( 7 B 80) O2
HIS( 8 A 80) O2
HIS( 8 B 80) O2
HIS( 9 A 80) O2
HIS( 9 B 80) O2
HIS( 10 A 80) O2
HIS( 10 B 80) O2
HIS( 11 A 80) O2
HIS( 11 B 80) O2
HIS( 12 A 80) O2
HIS( 12 B 80) O2
HIS( 13 A 80) O2
HIS( 13 B 80) O2
HIS( 14 A 80) O2
HIS( 14 B 80) O2
HIS( 15 A 80) O2
HIS( 15 B 80) O2
HIS( 16 A 80) O2
HIS( 16 B 80) O2
HIS( 17 A 80) O2
HIS( 17 B 80) O2
HIS( 18 A 80) O2
HIS( 18 B 80) O2
HIS( 19 A 80) O2
HIS( 19 B 80) O2
HIS( 20 A 80) O2
HIS( 20 B 80) O2
SOR77_R3_em_bcr3.pdb: Missing KEYWDS records
SOR77_R3_em_bcr3.pdb: Missing TITLE record