NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
491680 |
2jvo   |
15485 | cing | 1-original | 1 | AMBER | distance | NOE | ambi |
# Npl3_1RRM protein distance constrains
# 63 ILE HN 64 LEU HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= 574, 593, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 64 LEU HN 64 LEU QD2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 606, 607, 608,
&end
#
# 63 ILE QD1 64 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 587, 588, 589,
&end
#
# 64 LEU HN 64 LEU HB2 4.07
&rst
ixpk= 0, nxpk= 0, iat= 593, 597, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 97 VAL HN 97 VAL HB 4.06
&rst
ixpk= 0, nxpk= 0, iat=1083,1087, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 96 GLU HB2 97 VAL HN 4.42
&rst
ixpk= 0, nxpk= 0, iat=1072,1083, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 97 VAL HN 97 VAL QG1 4.70
&rst
ixpk= 0, nxpk= 0, iat=1083, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1089,1090,1091,
&end
#
# 62 LYS HN 69 PHE HB3 5.25
&rst
ixpk= 0, nxpk= 0, iat= 552, 668, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 62 LYS HN 69 PHE HB2 4.81
&rst
ixpk= 0, nxpk= 0, iat= 552, 667, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 62 LYS HN 68 ALA HA 5.13
&rst
ixpk= 0, nxpk= 0, iat= 552, 655, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 62 LYS HN 70 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 552, 683, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 LYS HN 63 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 587, 588, 589,
&end
#
# 62 LYS HN 63 ILE HA 5.31
&rst
ixpk= 0, nxpk= 0, iat= 552, 576, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 62 LYS HN 62 LYS HE3 5.45
&rst
ixpk= 0, nxpk= 0, iat= 552, 566, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 62 LYS HN 69 PHE HN 4.15
&rst
ixpk= 0, nxpk= 0, iat= 552, 663, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 62 LYS HN 70 VAL HA 4.46
&rst
ixpk= 0, nxpk= 0, iat= 552, 685, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 62 LYS HN 62 LYS HB3 3.64
&rst
ixpk= 0, nxpk= 0, iat= 552, 557, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 62 LYS HN 62 LYS HB2 3.88
&rst
ixpk= 0, nxpk= 0, iat= 552, 556, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 62 LYS HN 62 LYS HG2 4.65
&rst
ixpk= 0, nxpk= 0, iat= 552, 559, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 61 VAL QG2 62 LYS HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 546, 547, 548,
&end
#
# 62 LYS HN 70 VAL QG2 5.36
&rst
ixpk= 0, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2= 693, 694, 695,
&end
#
# 62 LYS HN 70 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 689, 690, 691,
&end
#
# 34 LEU HN 35 PHE HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= 101, 120, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 34 LEU HN 70 VAL HN 4.18
&rst
ixpk= 0, nxpk= 0, iat= 101, 683, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 34 LEU HN 34 LEU HG 4.15
&rst
ixpk= 0, nxpk= 0, iat= 101, 108, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 33 ARG HB2 34 LEU HN 4.47
&rst
ixpk= 0, nxpk= 0, iat= 81, 101, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 35 PHE HB3 36 VAL HN 4.76
&rst
ixpk= 0, nxpk= 0, iat= 125, 140, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 35 PHE HD 36 VAL HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 140, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 128, 136,
&end
#
# 35 PHE HA 36 VAL HN 3.32
&rst
ixpk= 0, nxpk= 0, iat= 122, 140, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 35 PHE HB2 36 VAL HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= 124, 140, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 36 VAL HN 36 VAL HB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 140, 144, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 36 VAL HN 36 VAL QG1 4.23
&rst
ixpk= 0, nxpk= 0, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 146, 147, 148,
&end
#
# 36 VAL HN 68 ALA HN 4.14
&rst
ixpk= 0, nxpk= 0, iat= 140, 653, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 36 VAL HN 68 ALA QB 5.02
&rst
ixpk= 0, nxpk= 0, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 657, 658, 659,
&end
#
# 36 VAL HN 69 PHE HA 4.79
&rst
ixpk= 0, nxpk= 0, iat= 140, 665, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 33 ARG HN 72 PHE HN 5.11
&rst
ixpk= 0, nxpk= 0, iat= 77, 714, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 72 PHE HN 73 GLU HN 5.33
&rst
ixpk= 0, nxpk= 0, iat= 714, 734, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 72 PHE HN 72 PHE HD 4.34
&rst
ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 722, 730,
&end
#
# 71 GLU HB3 72 PHE HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= 704, 714, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 59 LYS QB 72 PHE HN 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 503, 504,
&end
#
# 34 LEU HN 72 PHE HN 5.17
&rst
ixpk= 0, nxpk= 0, iat= 101, 714, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 34 LEU QD2 72 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 114, 115, 116,
&end
#
# 75 ALA HN 77 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 764, 789, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 ALA HN 76 GLU HG2 4.63
&rst
ixpk= 0, nxpk= 0, iat= 764, 781, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 75 ALA HN 76 GLU HB2 5.31
&rst
ixpk= 0, nxpk= 0, iat= 764, 778, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 33 ARG HA 71 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 79, 699, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 VAL HN 71 GLU HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= 683, 699, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 60 GLU HN 71 GLU HN 4.10
&rst
ixpk= 0, nxpk= 0, iat= 521, 699, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 61 VAL HA 71 GLU HN 4.25
&rst
ixpk= 0, nxpk= 0, iat= 538, 699, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 71 GLU HN 71 GLU QG 4.81
&rst
ixpk= 0, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 706, 707,
&end
#
# 71 GLU HN 71 GLU HB3 3.73
&rst
ixpk= 0, nxpk= 0, iat= 699, 704, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 61 VAL QG2 71 GLU HN 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 546, 547, 548,
&end
#
# 61 VAL QG1 71 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 542, 543, 544,
&end
#
# 70 VAL QG2 71 GLU HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 693, 694, 695,
&end
#
# 59 LYS QB 71 GLU HN 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 503, 504,
&end
#
# 62 LYS HB3 63 ILE HN 4.31
&rst
ixpk= 0, nxpk= 0, iat= 557, 574, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 63 ILE HN 63 ILE HB 3.23
&rst
ixpk= 0, nxpk= 0, iat= 574, 578, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 63 ILE HN 63 ILE QG1 3.74
&rst
ixpk= 0, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 584, 585,
&end
#
# 63 ILE HN 64 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 606, 607, 608,
&end
#
# 61 VAL HA 63 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 538, 574, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 LYS HE3 63 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 566, 574, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 90 PHE HN 95 LEU HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= 974,1049, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 90 PHE HN 90 PHE HD 5.24
&rst
ixpk= 0, nxpk= 0, iat= 974, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 982, 990,
&end
#
# 90 PHE HN 90 PHE HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 974, 979, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 90 PHE HN 90 PHE HB2 4.17
&rst
ixpk= 0, nxpk= 0, iat= 974, 978, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 90 PHE HN 95 LEU QD1 5.04
&rst
ixpk= 0, nxpk= 0, iat= 974, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1058,1059,1060,
&end
#
# 89 SER HB2 90 PHE HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 967, 974, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 31 ASN HA 33 ARG HN 5.38
&rst
ixpk= 0, nxpk= 0, iat= 51, 77, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 33 ARG HN 33 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 87, 88,
&end
#
# 32 THR QG2 33 ARG HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 77, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 69, 70, 71,
&end
#
# 33 ARG HN 99 TYR HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1123,1132,
&end
#
# 30 SER HB2 33 ARG HN 5.23
&rst
ixpk= 0, nxpk= 0, iat= 42, 77, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 96 GLU HN 97 VAL HN 5.14
&rst
ixpk= 0, nxpk= 0, iat=1068,1083, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 35 PHE HN 96 GLU HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= 120,1068, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 38 PRO QD 96 GLU HN 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1068, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 181, 182,
&end
#
# 96 GLU HN 96 GLU HB2 3.54
&rst
ixpk= 0, nxpk= 0, iat=1068,1072, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 95 LEU HB2 96 GLU HN 4.25
&rst
ixpk= 0, nxpk= 0, iat=1053,1068, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 33 ARG HN 34 LEU HN 5.34
&rst
ixpk= 0, nxpk= 0, iat= 77, 101, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 35 PHE HN 35 PHE HD 5.36
&rst
ixpk= 0, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 128, 136,
&end
#
# 35 PHE HN 100 SER HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= 120,1136, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 34 LEU HA 35 PHE HN 3.37
&rst
ixpk= 0, nxpk= 0, iat= 103, 120, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 35 PHE HN 35 PHE HB3 4.04
&rst
ixpk= 0, nxpk= 0, iat= 120, 125, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 34 LEU HB2 35 PHE HN 4.22
&rst
ixpk= 0, nxpk= 0, iat= 105, 120, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 35 PHE HN 36 VAL QG1 4.89
&rst
ixpk= 0, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 146, 147, 148,
&end
#
# 58 MET HN 59 LYS HN 5.29
&rst
ixpk= 0, nxpk= 0, iat= 482, 499, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 57 PRO HA 58 MET HN 3.36
&rst
ixpk= 0, nxpk= 0, iat= 478, 482, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 58 MET HN 58 MET HB3 4.03
&rst
ixpk= 0, nxpk= 0, iat= 482, 487, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 45 GLU HN 63 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 587, 588, 589,
&end
#
# 44 GLN HN 45 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 275, 292, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 LYS HN 72 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 499, 719, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 LYS HN 72 PHE HN 5.37
&rst
ixpk= 0, nxpk= 0, iat= 499, 714, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 59 LYS HN 72 PHE HD 5.43
&rst
ixpk= 0, nxpk= 0, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 722, 730,
&end
#
# 58 MET HB3 59 LYS HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= 487, 499, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 58 MET HB2 59 LYS HN 4.08
&rst
ixpk= 0, nxpk= 0, iat= 486, 499, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 59 LYS HN 59 LYS QB 3.45
&rst
ixpk= 0, nxpk= 0, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 503, 504,
&end
#
# 43 VAL HN 44 GLN HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= 259, 275, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 44 GLN HN 48 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 342, 343, 344,
&end
#
# 43 VAL QG1 44 GLN HN 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 265, 266, 267,
&end
#
# 44 GLN HN 47 GLU HB3 3.36
&rst
ixpk= 0, nxpk= 0, iat= 275, 323, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 61 VAL HN 62 LYS HN 5.06
&rst
ixpk= 0, nxpk= 0, iat= 536, 552, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 60 GLU HG3 61 VAL HN 4.01
&rst
ixpk= 0, nxpk= 0, iat= 529, 536, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 61 VAL HN 61 VAL HB 3.16
&rst
ixpk= 0, nxpk= 0, iat= 536, 540, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 90 PHE HB2 95 LEU HN 5.49
&rst
ixpk= 0, nxpk= 0, iat= 978,1049, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 95 LEU HN 96 GLU HN 4.71
&rst
ixpk= 0, nxpk= 0, iat=1049,1068, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 88 LYS HN 95 LEU HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 941,1049, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 94 PRO HA 95 LEU HN 3.20
&rst
ixpk= 0, nxpk= 0, iat=1045,1049, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 94 PRO QD 95 LEU HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1036,1037,
&end
#
# 87 GLY HA2 95 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 936,1049, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 LEU HN 95 LEU HB3 3.37
&rst
ixpk= 0, nxpk= 0, iat=1049,1054, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 95 LEU HN 97 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1093,1094,1095,
&end
#
# 95 LEU HN 95 LEU HB2 3.92
&rst
ixpk= 0, nxpk= 0, iat=1049,1053, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 87 GLY HN 88 LYS HN 3.56
&rst
ixpk= 0, nxpk= 0, iat= 934, 941, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 86 HIS HN 88 LYS HN 5.46
&rst
ixpk= 0, nxpk= 0, iat= 917, 941, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 85 VAL HA 88 LYS HN 4.45
&rst
ixpk= 0, nxpk= 0, iat= 903, 941, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 88 LYS HN 88 LYS HB3 3.31
&rst
ixpk= 0, nxpk= 0, iat= 941, 946, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 88 LYS HN 88 LYS HB2 3.46
&rst
ixpk= 0, nxpk= 0, iat= 941, 945, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 88 LYS HN 88 LYS HG3 4.11
&rst
ixpk= 0, nxpk= 0, iat= 941, 949, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 88 LYS HN 88 LYS HG2 4.02
&rst
ixpk= 0, nxpk= 0, iat= 941, 948, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 85 VAL QG2 88 LYS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 941, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 911, 912, 913,
&end
#
# 37 ARG HN 37 ARG HD2 5.36
&rst
ixpk= 0, nxpk= 0, iat= 156, 166, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 37 ARG HN 96 GLU HN 4.12
&rst
ixpk= 0, nxpk= 0, iat= 156,1068, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 37 ARG HN 38 PRO HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 156, 190, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 ARG HN 37 ARG HG3 4.44
&rst
ixpk= 0, nxpk= 0, iat= 156, 164, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 36 VAL QG1 37 ARG HN 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 156, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 146, 147, 148,
&end
#
# 35 PHE HD 37 ARG HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 156, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 128, 136,
&end
#
# 37 ARG HN 37 ARG HG2 4.70
&rst
ixpk= 0, nxpk= 0, iat= 156, 163, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 29 LEU HN 29 LEU QD1 5.07
&rst
ixpk= 0, nxpk= 0, iat= 19, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 28, 29, 30,
&end
#
# 29 LEU HN 29 LEU HB3 3.97
&rst
ixpk= 0, nxpk= 0, iat= 19, 24, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 46 SER QB 47 GLU HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 311, 312,
&end
#
# 47 GLU HN 49 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 318, 356, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 GLU HN 48 LEU HB3 5.19
&rst
ixpk= 0, nxpk= 0, iat= 318, 338, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 43 VAL QG2 47 GLU HN 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 269, 270, 271,
&end
#
# 44 GLN HN 47 GLU HN 4.11
&rst
ixpk= 0, nxpk= 0, iat= 275, 318, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 47 GLU HN 48 LEU HN 3.45
&rst
ixpk= 0, nxpk= 0, iat= 318, 333, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 45 GLU HA 47 GLU HN 4.92
&rst
ixpk= 0, nxpk= 0, iat= 294, 318, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 47 GLU HN 47 GLU HB3 3.20
&rst
ixpk= 0, nxpk= 0, iat= 318, 323, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 47 GLU HN 47 GLU HB2 3.74
&rst
ixpk= 0, nxpk= 0, iat= 318, 322, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 47 GLU HN 48 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 346, 347, 348,
&end
#
# 41 LEU HN 42 ASP HN 5.30
&rst
ixpk= 0, nxpk= 0, iat= 228, 247, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 41 LEU HN 41 LEU HG 4.40
&rst
ixpk= 0, nxpk= 0, iat= 228, 235, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 41 LEU HN 41 LEU QD2 5.39
&rst
ixpk= 0, nxpk= 0, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2= 241, 242, 243,
&end
#
# 41 LEU HN 41 LEU QD1 5.49
&rst
ixpk= 0, nxpk= 0, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2= 237, 238, 239,
&end
#
# 29 LEU HN 29 LEU QD2 5.16
&rst
ixpk= 0, nxpk= 0, iat= 19, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 32, 33, 34,
&end
#
# 76 GLU HB2 78 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 778, 800, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 ALA HN 82 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 865, 866, 867,
&end
#
# 78 ALA HN 80 LYS HN 4.77
&rst
ixpk= 0, nxpk= 0, iat= 800, 820, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 77 SER HB3 78 ALA HN 3.60
&rst
ixpk= 0, nxpk= 0, iat= 794, 800, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 77 SER HB2 78 ALA HN 4.45
&rst
ixpk= 0, nxpk= 0, iat= 793, 800, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 32 THR QG2 78 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 69, 70, 71,
&end
#
# 32 THR HA 78 ALA HN 4.92
&rst
ixpk= 0, nxpk= 0, iat= 65, 800, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 80 LYS QE 81 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 833, 834,
&end
#
# 80 LYS QB 81 ALA HN 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr1= 824, 825,
&end
#
# 80 LYS QG 81 ALA HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 827, 828,
&end
#
# 81 ALA HN 82 ILE QD1 4.69
&rst
ixpk= 0, nxpk= 0, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 865, 866, 867,
&end
#
# 42 ASP HN 43 VAL HN 3.70
&rst
ixpk= 0, nxpk= 0, iat= 247, 259, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 42 ASP HB3 43 VAL HN 4.43
&rst
ixpk= 0, nxpk= 0, iat= 252, 259, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 42 ASP HB2 43 VAL HN 4.35
&rst
ixpk= 0, nxpk= 0, iat= 251, 259, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 43 VAL HN 43 VAL HB 3.10
&rst
ixpk= 0, nxpk= 0, iat= 259, 263, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 43 VAL HN 43 VAL QG2 4.06
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 269, 270, 271,
&end
#
# 43 VAL HN 43 VAL QG1 3.36
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 265, 266, 267,
&end
#
# 69 PHE HN 70 VAL HN 5.38
&rst
ixpk= 0, nxpk= 0, iat= 663, 683, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 67 PHE HN 68 ALA HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= 633, 653, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 39 PHE HE 68 ALA HN 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 204, 208,
&end
#
# 37 ARG HA 68 ALA HN 4.92
&rst
ixpk= 0, nxpk= 0, iat= 158, 653, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 67 PHE HB3 68 ALA HN 3.91
&rst
ixpk= 0, nxpk= 0, iat= 638, 653, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 67 PHE HB2 68 ALA HN 3.73
&rst
ixpk= 0, nxpk= 0, iat= 637, 653, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 36 VAL HB 68 ALA HN 5.23
&rst
ixpk= 0, nxpk= 0, iat= 144, 653, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 68 ALA HN 68 ALA QB 3.96
&rst
ixpk= 0, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 657, 658, 659,
&end
#
# 36 VAL QG1 68 ALA HN 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 146, 147, 148,
&end
#
# 48 LEU QD2 68 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 346, 347, 348,
&end
#
# 64 LEU HN 68 ALA HN 4.84
&rst
ixpk= 0, nxpk= 0, iat= 593, 653, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 37 ARG HB2 68 ALA HN 4.85
&rst
ixpk= 0, nxpk= 0, iat= 160, 653, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 35 PHE HN 70 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 120, 683, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 ALA HA 70 VAL HN 5.10
&rst
ixpk= 0, nxpk= 0, iat= 655, 683, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 36 VAL QG1 70 VAL HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 683, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 146, 147, 148,
&end
#
# 70 VAL HN 70 VAL QG2 4.27
&rst
ixpk= 0, nxpk= 0, iat= 683, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 693, 694, 695,
&end
#
# 69 PHE HB3 70 VAL HN 4.25
&rst
ixpk= 0, nxpk= 0, iat= 668, 683, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 69 PHE HB2 70 VAL HN 4.63
&rst
ixpk= 0, nxpk= 0, iat= 667, 683, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 48 LEU HN 50 GLU HN 4.84
&rst
ixpk= 0, nxpk= 0, iat= 333, 366, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 48 LEU HN 49 ASN HA 5.26
&rst
ixpk= 0, nxpk= 0, iat= 333, 354, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 48 LEU HN 49 ASN HB2 4.73
&rst
ixpk= 0, nxpk= 0, iat= 333, 356, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 47 GLU HB3 48 LEU HN 4.21
&rst
ixpk= 0, nxpk= 0, iat= 323, 333, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 47 GLU HB2 48 LEU HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 322, 333, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 LEU HN 48 LEU HB3 3.40
&rst
ixpk= 0, nxpk= 0, iat= 333, 338, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 48 LEU HN 48 LEU HB2 3.68
&rst
ixpk= 0, nxpk= 0, iat= 333, 337, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 43 VAL QG2 48 LEU HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 269, 270, 271,
&end
#
# 49 ASN HN 50 GLU HN 3.52
&rst
ixpk= 0, nxpk= 0, iat= 352, 366, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 47 GLU HN 49 ASN HN 4.31
&rst
ixpk= 0, nxpk= 0, iat= 318, 352, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 48 LEU HN 49 ASN HN 3.31
&rst
ixpk= 0, nxpk= 0, iat= 333, 352, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 49 ASN HN 49 ASN HND1 5.45
&rst
ixpk= 0, nxpk= 0, iat= 352, 361, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 49 ASN HN 49 ASN HB2 3.16
&rst
ixpk= 0, nxpk= 0, iat= 352, 356, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 47 GLU HB3 49 ASN HN 5.39
&rst
ixpk= 0, nxpk= 0, iat= 323, 352, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 45 GLU QG 49 ASN HN 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 352, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 299, 300,
&end
#
# 48 LEU HB3 49 ASN HN 3.77
&rst
ixpk= 0, nxpk= 0, iat= 338, 352, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 48 LEU HB2 49 ASN HN 4.03
&rst
ixpk= 0, nxpk= 0, iat= 337, 352, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 48 LEU HG 49 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 340, 352, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 VAL QG2 49 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 352, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 269, 270, 271,
&end
#
# 48 LEU QD1 49 ASN HN 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 352, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 342, 343, 344,
&end
#
# 48 LEU QD2 49 ASN HN 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 352, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1= 346, 347, 348,
&end
#
# 33 ARG HB2 99 TYR HN 5.50
(#99 TYR HN 100 SER HB3 5.50)
&rst
ixpk= 0, nxpk= 0, iat= 81,1115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 LEU QD1 99 TYR HN 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 28, 29, 30,
&end
#
# 34 LEU QD1 99 TYR HN 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 110, 111, 112,
&end
#
# 99 TYR HN 99 TYR HD 3.89
&rst
ixpk= 0, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1123,1132,
&end
#
# 99 TYR HN 99 TYR HE 5.35
&rst
ixpk= 0, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2=1125,1130,
&end
#
# 99 TYR HN 99 TYR HB3 3.91
&rst
ixpk= 0, nxpk= 0, iat=1115,1120, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 99 TYR HN 99 TYR HB2 3.61
&rst
ixpk= 0, nxpk= 0, iat=1115,1119, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 50 GLU HN 51 ILE HG13 5.03
&rst
ixpk= 0, nxpk= 0, iat= 366, 392, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 50 GLU HN 51 ILE HN 3.58
&rst
ixpk= 0, nxpk= 0, iat= 366, 381, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 47 GLU HA 50 GLU HN 3.99
&rst
ixpk= 0, nxpk= 0, iat= 320, 366, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 49 ASN HB2 50 GLU HN 3.59
&rst
ixpk= 0, nxpk= 0, iat= 356, 366, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 50 GLU HN 50 GLU HG3 3.75
&rst
ixpk= 0, nxpk= 0, iat= 366, 374, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 50 GLU HN 51 ILE HB 4.78
&rst
ixpk= 0, nxpk= 0, iat= 366, 385, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 50 GLU HN 51 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 394, 395, 396,
&end
#
# 31 ASN HN 33 ARG HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 49, 77, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 LYS HN 81 ALA HA 5.39
&rst
ixpk= 0, nxpk= 0, iat= 820, 844, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 80 LYS HN 80 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 833, 834,
&end
#
# 76 GLU HB3 80 LYS HN 4.92
&rst
ixpk= 0, nxpk= 0, iat= 779, 820, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 80 LYS HN 80 LYS QD 4.30
&rst
ixpk= 0, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 830, 831,
&end
#
# 80 LYS HN 80 LYS QG 3.68
&rst
ixpk= 0, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 827, 828,
&end
#
# 80 LYS HN 81 ALA QB 5.15
&rst
ixpk= 0, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2= 846, 847, 848,
&end
#
# 80 LYS HN 82 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 865, 866, 867,
&end
#
# 85 VAL HN 86 HIS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 901, 919, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 VAL HN 86 HIS HB3 4.53
&rst
ixpk= 0, nxpk= 0, iat= 901, 922, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 55 PHE HZ 85 VAL HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= 453, 901, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 85 VAL HN 86 HIS HB2 4.57
&rst
ixpk= 0, nxpk= 0, iat= 901, 921, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 84 GLU HB3 85 VAL HN 4.35
&rst
ixpk= 0, nxpk= 0, iat= 891, 901, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 85 VAL HN 85 VAL HB 3.96
&rst
ixpk= 0, nxpk= 0, iat= 901, 905, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 86 HIS HN 97 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 917,1083, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 VAL HN 86 HIS HN 3.31
&rst
ixpk= 0, nxpk= 0, iat= 901, 917, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 84 GLU HN 86 HIS HN 5.10
&rst
ixpk= 0, nxpk= 0, iat= 886, 917, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 86 HIS HN 86 HIS HD2 5.44
&rst
ixpk= 0, nxpk= 0, iat= 917, 930, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 86 HIS HN 86 HIS HB2 3.09
&rst
ixpk= 0, nxpk= 0, iat= 917, 921, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 86 HIS HN 97 VAL HB 4.58
&rst
ixpk= 0, nxpk= 0, iat= 917,1087, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 90 PHE HN 93 GLN HN 3.86
&rst
ixpk= 0, nxpk= 0, iat= 974,1018, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 92 ASN HB3 93 GLN HN 4.72
&rst
ixpk= 0, nxpk= 0, iat=1009,1018, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 93 GLN HN 93 GLN HG2 4.04
&rst
ixpk= 0, nxpk= 0, iat=1018,1025, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 90 PHE HA 93 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 976,1018, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 ASN HB2 93 GLN HN 4.68
&rst
ixpk= 0, nxpk= 0, iat=1008,1018, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 59 LYS HN 73 GLU HN 4.52
&rst
ixpk= 0, nxpk= 0, iat= 499, 734, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 72 PHE HB3 73 GLU HN 4.30
&rst
ixpk= 0, nxpk= 0, iat= 719, 734, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 73 GLU HN 77 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 734, 794, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 LYS QB 73 GLU HN 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 503, 504,
&end
#
# 73 GLU HN 74 GLU HN 3.91
&rst
ixpk= 0, nxpk= 0, iat= 734, 749, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 72 PHE HD 73 GLU HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 722, 730,
&end
#
# 72 PHE HB2 73 GLU HN 4.53
&rst
ixpk= 0, nxpk= 0, iat= 718, 734, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 57 PRO QB 73 GLU HN 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 475, 476,
&end
#
# 73 GLU HN 73 GLU HG3 3.71
&rst
ixpk= 0, nxpk= 0, iat= 734, 742, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 73 GLU HN 73 GLU HG2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 734, 741, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 73 GLU HN 73 GLU HB2 3.79
&rst
ixpk= 0, nxpk= 0, iat= 734, 738, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 79 ALA HN 81 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 846, 847, 848,
&end
#
# 34 LEU QD1 79 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 110, 111, 112,
&end
#
# 79 ALA HN 80 LYS HN 3.55
&rst
ixpk= 0, nxpk= 0, iat= 810, 820, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 77 SER HN 79 ALA HN 4.58
&rst
ixpk= 0, nxpk= 0, iat= 789, 810, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 78 ALA HN 79 ALA HN 3.55
&rst
ixpk= 0, nxpk= 0, iat= 800, 810, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 79 ALA HN 80 LYS QB 5.28
&rst
ixpk= 0, nxpk= 0, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 824, 825,
&end
#
# 78 ALA QB 79 ALA HN 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 804, 805, 806,
&end
#
# 64 LEU HN 65 ASN HN 5.28
&rst
ixpk= 0, nxpk= 0, iat= 593, 612, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 65 ASN HN 67 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 641, 649,
&end
#
# 64 LEU HB3 65 ASN HN 3.83
&rst
ixpk= 0, nxpk= 0, iat= 598, 612, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 64 LEU QD1 65 ASN HN 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 602, 603, 604,
&end
#
# 79 ALA HN 82 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 865, 866, 867,
&end
#
# 82 ILE HN 85 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 852, 901, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 LYS HA 82 ILE HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 822, 852, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 82 ILE HN 83 GLU HN 3.62
&rst
ixpk= 0, nxpk= 0, iat= 852, 871, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 82 ILE HN 82 ILE HB 3.35
&rst
ixpk= 0, nxpk= 0, iat= 852, 856, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 81 ALA QB 82 ILE HN 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 852, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 846, 847, 848,
&end
#
# 82 ILE HN 82 ILE HG12 4.06
&rst
ixpk= 0, nxpk= 0, iat= 852, 862, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 87 GLY HN 97 VAL HN 4.91
&rst
ixpk= 0, nxpk= 0, iat= 934,1083, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 86 HIS HN 87 GLY HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= 917, 934, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 86 HIS HA 87 GLY HN 3.06
&rst
ixpk= 0, nxpk= 0, iat= 919, 934, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 87 GLY HN 97 VAL HB 4.87
&rst
ixpk= 0, nxpk= 0, iat= 934,1087, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 87 GLY HN 88 LYS HB3 5.20
&rst
ixpk= 0, nxpk= 0, iat= 934, 946, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 87 GLY HN 95 LEU HB3 4.61
&rst
ixpk= 0, nxpk= 0, iat= 934,1054, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 87 GLY HN 95 LEU HB2 4.91
&rst
ixpk= 0, nxpk= 0, iat= 934,1053, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 82 ILE HN 83 GLU QB 5.35
&rst
ixpk= 0, nxpk= 0, iat= 852, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 875, 876,
&end
#
# 82 ILE QG2 83 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 871, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 858, 859, 860,
&end
#
# 89 SER HN 90 PHE HN 5.38
&rst
ixpk= 0, nxpk= 0, iat= 963, 974, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 88 LYS HG3 89 SER HN 4.41
&rst
ixpk= 0, nxpk= 0, iat= 949, 963, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 88 LYS HG2 89 SER HN 5.07
&rst
ixpk= 0, nxpk= 0, iat= 948, 963, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 89 SER HN 90 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 963, 976, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 LYS HB3 89 SER HN 4.42
&rst
ixpk= 0, nxpk= 0, iat= 946, 963, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 88 LYS HB2 89 SER HN 4.04
&rst
ixpk= 0, nxpk= 0, iat= 945, 963, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 83 GLU HN 84 GLU HN 3.57
&rst
ixpk= 0, nxpk= 0, iat= 871, 886, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 83 GLU HN 83 GLU HG3 3.89
&rst
ixpk= 0, nxpk= 0, iat= 871, 879, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 83 GLU HN 83 GLU HG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 871, 878, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 83 GLU HN 83 GLU QB 3.02
&rst
ixpk= 0, nxpk= 0, iat= 871, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2= 875, 876,
&end
#
# 83 GLU HN 84 GLU HB2 5.09
&rst
ixpk= 0, nxpk= 0, iat= 871, 890, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 82 ILE HB 83 GLU HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= 856, 871, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 83 GLU HN 85 VAL HN 4.92
&rst
ixpk= 0, nxpk= 0, iat= 871, 901, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 97 VAL HN 98 VAL HN 5.02
&rst
ixpk= 0, nxpk= 0, iat=1083,1099, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 34 LEU HA 98 VAL HN 4.17
&rst
ixpk= 0, nxpk= 0, iat= 103,1099, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 97 VAL HA 98 VAL HN 3.10
&rst
ixpk= 0, nxpk= 0, iat=1085,1099, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 35 PHE HB3 98 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 125,1099, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 VAL HB 98 VAL HN 4.91
&rst
ixpk= 0, nxpk= 0, iat=1087,1099, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 98 VAL HN 98 VAL QG1 3.58
&rst
ixpk= 0, nxpk= 0, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1105,1106,1107,
&end
#
# 97 VAL QG1 98 VAL HN 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1089,1090,1091,
&end
#
# 35 PHE HN 98 VAL HN 4.37
&rst
ixpk= 0, nxpk= 0, iat= 120,1099, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 35 PHE HB2 98 VAL HN 5.49
&rst
ixpk= 0, nxpk= 0, iat= 124,1099, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 66 GLY HN 67 PHE HN 3.38
&rst
ixpk= 0, nxpk= 0, iat= 626, 633, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 64 LEU HN 67 PHE HN 4.30
&rst
ixpk= 0, nxpk= 0, iat= 593, 633, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 67 PHE HN 67 PHE HD 4.28
&rst
ixpk= 0, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 641, 649,
&end
#
# 64 LEU QD2 67 PHE HN 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 633, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 606, 607, 608,
&end
#
# 63 ILE QG2 67 PHE HN 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 633, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 580, 581, 582,
&end
#
# 51 ILE HN 52 PHE HA 5.32
&rst
ixpk= 0, nxpk= 0, iat= 381, 402, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 98 VAL QG1 100 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1136, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1105,1106,1107,
&end
#
# 29 LEU QD1 100 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1136, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 28, 29, 30,
&end
#
# 63 ILE QG2 69 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 580, 581, 582,
&end
#
# 51 ILE HN 52 PHE HD 5.13
&rst
ixpk= 0, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 408, 416,
&end
#
# 47 GLU HA 51 ILE HN 5.11
&rst
ixpk= 0, nxpk= 0, iat= 320, 381, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 51 ILE HN 52 PHE HB2 4.69
&rst
ixpk= 0, nxpk= 0, iat= 381, 404, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 50 GLU HB2 51 ILE HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= 370, 381, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 51 ILE HN 51 ILE HG13 3.69
&rst
ixpk= 0, nxpk= 0, iat= 381, 392, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 51 ILE HN 51 ILE HB 3.43
&rst
ixpk= 0, nxpk= 0, iat= 381, 385, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 49 ASN HN 51 ILE HN 5.15
&rst
ixpk= 0, nxpk= 0, iat= 352, 381, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 51 ILE HN 51 ILE HG12 4.09
&rst
ixpk= 0, nxpk= 0, iat= 381, 391, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 99 TYR HN 100 SER HN 4.74
&rst
ixpk= 0, nxpk= 0, iat=1115,1136, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 35 PHE HB3 100 SER HN 5.40
&rst
ixpk= 0, nxpk= 0, iat= 125,1136, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 99 TYR HB2 100 SER HN 4.61
&rst
ixpk= 0, nxpk= 0, iat=1119,1136, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 33 ARG HB2 100 SER HN 5.46
&rst
ixpk= 0, nxpk= 0, iat= 81,1136, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 68 ALA HN 69 PHE HN 5.03
&rst
ixpk= 0, nxpk= 0, iat= 653, 663, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 64 LEU HN 69 PHE HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 593, 663, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 63 ILE HA 69 PHE HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= 576, 663, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 69 PHE HN 69 PHE HB2 4.13
&rst
ixpk= 0, nxpk= 0, iat= 663, 667, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 62 LYS HB3 69 PHE HN 4.39
&rst
ixpk= 0, nxpk= 0, iat= 557, 663, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 61 VAL QG1 69 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 542, 543, 544,
&end
#
# 29 LEU HB2 30 SER HN 4.92
&rst
ixpk= 0, nxpk= 0, iat= 23, 38, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 29 LEU QD1 30 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 28, 29, 30,
&end
#
# 29 LEU QD2 30 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 32, 33, 34,
&end
#
# 60 GLU HN 70 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 693, 694, 695,
&end
#
# 41 LEU QD2 42 ASP HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 247, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 241, 242, 243,
&end
#
# 41 LEU QD1 42 ASP HN 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 247, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 237, 238, 239,
&end
#
# 42 ASP HN 42 ASP HB3 4.16
&rst
ixpk= 0, nxpk= 0, iat= 247, 252, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 42 ASP HN 42 ASP HB2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 247, 251, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 41 LEU HB3 42 ASP HN 4.58
&rst
ixpk= 0, nxpk= 0, iat= 233, 247, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 42 ASP HN 43 VAL QG1 5.23
&rst
ixpk= 0, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2= 265, 266, 267,
&end
#
# 60 GLU HN 61 VAL HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= 521, 536, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 60 GLU HN 61 VAL QG2 5.42
&rst
ixpk= 0, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 546, 547, 548,
&end
#
# 59 LYS HN 60 GLU HN 3.32
&rst
ixpk= 0, nxpk= 0, iat= 499, 521, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 60 GLU HN 71 GLU HB3 3.75
&rst
ixpk= 0, nxpk= 0, iat= 521, 704, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 58 MET HB2 60 GLU HN 4.49
&rst
ixpk= 0, nxpk= 0, iat= 486, 521, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 59 LYS QB 60 GLU HN 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 503, 504,
&end
#
# 60 GLU HN 70 VAL QG1 5.47
&rst
ixpk= 0, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2= 689, 690, 691,
&end
#
# 59 LYS QE 60 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 512, 513,
&end
#
# 74 GLU HN 77 SER HB3 4.99
&rst
ixpk= 0, nxpk= 0, iat= 749, 794, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 72 PHE HD 74 GLU HN 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 722, 730,
&end
#
# 74 GLU HN 78 ALA HN 5.37
&rst
ixpk= 0, nxpk= 0, iat= 749, 800, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 72 PHE HB2 74 GLU HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= 718, 749, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 72 PHE HA 74 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 716, 749, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 PHE HB3 74 GLU HN 4.22
&rst
ixpk= 0, nxpk= 0, iat= 719, 749, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 32 THR QG2 74 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 69, 70, 71,
&end
#
# 84 GLU HN 85 VAL HN 3.48
&rst
ixpk= 0, nxpk= 0, iat= 886, 901, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 82 ILE HA 84 GLU HN 5.33
&rst
ixpk= 0, nxpk= 0, iat= 854, 886, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 84 GLU HN 86 HIS HB2 5.47
&rst
ixpk= 0, nxpk= 0, iat= 886, 921, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 83 GLU QB 84 GLU HN 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 875, 876,
&end
#
# 84 GLU HN 84 GLU HB2 3.40
&rst
ixpk= 0, nxpk= 0, iat= 886, 890, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 84 GLU HN 85 VAL QG1 4.62
&rst
ixpk= 0, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 907, 908, 909,
&end
#
# 84 GLU HN 84 GLU HG2 3.76
&rst
ixpk= 0, nxpk= 0, iat= 886, 893, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 81 ALA QB 84 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 846, 847, 848,
&end
#
# 77 SER HN 80 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 789, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 833, 834,
&end
#
# 77 SER HN 78 ALA HN 3.61
&rst
ixpk= 0, nxpk= 0, iat= 789, 800, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 77 SER HN 77 SER HB3 3.77
&rst
ixpk= 0, nxpk= 0, iat= 789, 794, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 76 GLU HB2 77 SER HN 3.72
&rst
ixpk= 0, nxpk= 0, iat= 778, 789, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 77 SER HN 78 ALA QB 4.95
&rst
ixpk= 0, nxpk= 0, iat= 789, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 804, 805, 806,
&end
#
# 76 GLU HN 77 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 774, 789, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 GLU HN 77 SER HN 4.98
&rst
ixpk= 0, nxpk= 0, iat= 749, 789, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 42 ASP HA 44 GLN HNE2 4.84
&rst
ixpk= 0, nxpk= 0, iat= 249, 288, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 43 VAL QG1 44 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 265, 266, 267,
&end
#
# 72 PHE HB3 77 SER HN 5.03
&rst
ixpk= 0, nxpk= 0, iat= 719, 789, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 72 PHE HB2 77 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 718, 789, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 GLU HB3 77 SER HN 4.18
&rst
ixpk= 0, nxpk= 0, iat= 779, 789, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 32 THR QG2 77 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 789, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 69, 70, 71,
&end
#
# 42 ASP HA 44 GLN HNE1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 249, 287, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 92 ASN HND1 93 GLN HNE2 5.11
&rst
ixpk= 0, nxpk= 0, iat=1013,1031, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 52 PHE HN 53 GLY HN 3.69
&rst
ixpk= 0, nxpk= 0, iat= 400, 420, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 50 GLU HN 52 PHE HN 4.79
&rst
ixpk= 0, nxpk= 0, iat= 366, 400, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 52 PHE HN 52 PHE HD 3.93
&rst
ixpk= 0, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 408, 416,
&end
#
# 51 ILE HN 52 PHE HN 3.54
&rst
ixpk= 0, nxpk= 0, iat= 381, 400, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 49 ASN HA 52 PHE HN 4.42
&rst
ixpk= 0, nxpk= 0, iat= 354, 400, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 52 PHE HN 52 PHE HB3 3.91
&rst
ixpk= 0, nxpk= 0, iat= 400, 405, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 52 PHE HN 52 PHE HB2 3.65
&rst
ixpk= 0, nxpk= 0, iat= 400, 404, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 51 ILE HG13 52 PHE HN 4.52
&rst
ixpk= 0, nxpk= 0, iat= 392, 400, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 51 ILE HB 52 PHE HN 3.65
&rst
ixpk= 0, nxpk= 0, iat= 385, 400, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 51 ILE QG2 52 PHE HN 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 387, 388, 389,
&end
#
# 48 LEU HA 52 PHE HN 4.56
&rst
ixpk= 0, nxpk= 0, iat= 335, 400, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 38 PRO HA 92 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 190,1014, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 PHE HN 39 PHE HD 5.21
&rst
ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 202, 210,
&end
#
# 38 PRO HA 39 PHE HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= 190, 194, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 ARG HA 39 PHE HN 3.99
&rst
ixpk= 0, nxpk= 0, iat= 158, 194, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 39 PHE HN 39 PHE HB2 3.97
&rst
ixpk= 0, nxpk= 0, iat= 194, 198, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 38 PRO QD 39 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 181, 182,
&end
#
# 38 PRO HA 92 ASN HND1 5.15
&rst
ixpk= 0, nxpk= 0, iat= 190,1013, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 55 PHE HN 55 PHE HD 4.27
&rst
ixpk= 0, nxpk= 0, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 449, 457,
&end
#
# 52 PHE HA 55 PHE HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= 402, 441, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 55 PHE HN 56 GLY QA 4.86
&rst
ixpk= 0, nxpk= 0, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 463, 464,
&end
#
# 54 PRO QG 55 PHE HN 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 431, 432,
&end
#
# 55 PHE HN 80 LYS QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 830, 831,
&end
#
# 92 ASN HND2 93 GLN HNE2 4.74
&rst
ixpk= 0, nxpk= 0, iat=1014,1031, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 38 PRO HA 93 GLN HNE2 5.08
&rst
ixpk= 0, nxpk= 0, iat= 190,1031, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 64 LEU HA 65 ASN HND2 4.94
&rst
ixpk= 0, nxpk= 0, iat= 595, 622, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 64 LEU HA 65 ASN HND1 4.97
&rst
ixpk= 0, nxpk= 0, iat= 595, 621, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 93 GLN HB2 93 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1022,1030, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 ASN HND2 93 GLN HNE1 3.91
&rst
ixpk= 0, nxpk= 0, iat=1014,1030, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 38 PRO HA 93 GLN HNE1 5.23
&rst
ixpk= 0, nxpk= 0, iat= 190,1030, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 93 GLN HB2 93 GLN HNE2 5.33
&rst
ixpk= 0, nxpk= 0, iat=1022,1031, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 43 VAL QG1 66 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 626, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 265, 266, 267,
&end
#
# 65 ASN HN 66 GLY HN 5.44
&rst
ixpk= 0, nxpk= 0, iat= 612, 626, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 64 LEU HA 66 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 595, 626, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 ASN HB3 66 GLY HN 4.52
&rst
ixpk= 0, nxpk= 0, iat= 617, 626, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 41 LEU HB3 66 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 233, 626, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 ILE QG2 66 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 626, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 580, 581, 582,
&end
#
# 31 ASN HND2 75 ALA QB 5.28
&rst
ixpk= 0, nxpk= 0, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 768, 769, 770,
&end
#
# 31 ASN HND1 75 ALA QB 5.26
&rst
ixpk= 0, nxpk= 0, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2= 768, 769, 770,
&end
#
# 31 ASN HA 31 ASN HND1 5.13
&rst
ixpk= 0, nxpk= 0, iat= 51, 58, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 52 PHE HD 53 GLY HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 408, 416,
&end
#
# 51 ILE QG2 53 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 387, 388, 389,
&end
#
# 51 ILE HN 53 GLY HN 4.79
&rst
ixpk= 0, nxpk= 0, iat= 381, 420, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 53 GLY HN 54 PRO HD3 3.93
&rst
ixpk= 0, nxpk= 0, iat= 420, 429, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 53 GLY HN 54 PRO HD2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 420, 428, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 52 PHE HB2 53 GLY HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= 404, 420, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 53 GLY HN 54 PRO QG 4.60
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 431, 432,
&end
#
# 50 GLU HA 53 GLY HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= 368, 420, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 51 ILE HB 53 GLY HN 5.26
&rst
ixpk= 0, nxpk= 0, iat= 385, 420, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 49 ASN HA 49 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 354, 362, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 ASN HND2 58 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 493, 494, 495,
&end
#
# 55 PHE HB3 56 GLY HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= 446, 461, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 55 PHE HN 56 GLY HN 3.49
&rst
ixpk= 0, nxpk= 0, iat= 441, 461, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 55 PHE HD 56 GLY HN 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 449, 457,
&end
#
# 56 GLY HN 57 PRO HD2 4.92
&rst
ixpk= 0, nxpk= 0, iat= 461, 469, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 55 PHE HB2 56 GLY HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= 445, 461, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 49 ASN HN 49 ASN HND2 5.21
&rst
ixpk= 0, nxpk= 0, iat= 352, 362, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 46 SER QB 49 ASN HND2 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 362, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 311, 312,
&end
#
# 49 ASN HB2 49 ASN HND2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 356, 362, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 45 GLU QG 49 ASN HND2 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 362, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 299, 300,
&end
#
# 45 GLU HB2 49 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 296, 362, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 GLU QG 49 ASN HND1 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 299, 300,
&end
#
# 49 ASN HND1 61 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 546, 547, 548,
&end
#
# 90 PHE HN 92 ASN HN 5.41
&rst
ixpk= 0, nxpk= 0, iat= 974,1004, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 92 ASN HN 93 GLN HN 4.20
&rst
ixpk= 0, nxpk= 0, iat=1004,1018, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 38 PRO HA 92 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 190,1004, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 90 PHE HA 92 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 976,1004, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 ASN HN 93 GLN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1004,1022, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 ALA QB 92 ASN HN 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 998, 999,1000,
&end
#
# 31 ASN HB3 32 THR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 54, 63, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 THR HN 33 ARG HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 63, 81, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 THR HN 33 ARG HN 3.99
&rst
ixpk= 0, nxpk= 0, iat= 63, 77, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 32 THR HN 99 TYR HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1123,1132,
&end
#
# 30 SER HA 32 THR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 40, 63, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 ASN HB2 32 THR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 53, 63, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 THR HB 71 GLU HA 4.92
&rst
ixpk= 0, nxpk= 0, iat= 67, 701, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 32 THR HB 71 GLU QG 4.41
&rst
ixpk= 0, nxpk= 0, iat= 67, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 706, 707,
&end
#
# 32 THR HB 72 PHE HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= 67, 714, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 32 THR HB 33 ARG HA 5.23
&rst
ixpk= 0, nxpk= 0, iat= 67, 79, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 32 THR HB 72 PHE HB2 4.82
&rst
ixpk= 0, nxpk= 0, iat= 67, 718, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 32 THR HB 78 ALA QB 4.82
&rst
ixpk= 0, nxpk= 0, iat= 67, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 804, 805, 806,
&end
#
# 82 ILE HA 85 VAL HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= 854, 901, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 82 ILE HA 86 HIS HN 4.19
&rst
ixpk= 0, nxpk= 0, iat= 854, 917, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 82 ILE HA 97 VAL HB 3.86
&rst
ixpk= 0, nxpk= 0, iat= 854,1087, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 82 ILE HA 82 ILE HG13 3.81
&rst
ixpk= 0, nxpk= 0, iat= 854, 863, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 82 ILE HA 97 VAL QG2 4.48
&rst
ixpk= 0, nxpk= 0, iat= 854, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1093,1094,1095,
&end
#
# 82 ILE HA 82 ILE HG12 3.56
&rst
ixpk= 0, nxpk= 0, iat= 854, 862, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 34 LEU HN 100 SER HB2 5.46
&rst
ixpk= 0, nxpk= 0, iat= 101,1140, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 35 PHE HN 100 SER HB3 4.86
&rst
ixpk= 0, nxpk= 0, iat= 120,1141, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 100 SER HN 100 SER HB3 3.90
&rst
ixpk= 0, nxpk= 0, iat=1136,1141, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 69 PHE HD 100 SER HB3 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 671, 679,
&end
#
# 35 PHE HD 100 SER HB3 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 128, 136,
&end
#
# 35 PHE HB3 100 SER HB3 3.90
&rst
ixpk= 0, nxpk= 0, iat= 125,1141, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 35 PHE HB2 100 SER HB3 4.28
&rst
ixpk= 0, nxpk= 0, iat= 124,1141, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 34 LEU HN 100 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 101,1141, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 ARG QG 100 SER HB3 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 84, 85,
&end
#
# 98 VAL QG1 100 SER HB3 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1105,1106,1107,
&end
#
# 35 PHE HN 100 SER HB2 4.67
&rst
ixpk= 0, nxpk= 0, iat= 120,1140, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 100 SER HN 100 SER HB2 3.86
&rst
ixpk= 0, nxpk= 0, iat=1136,1140, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 69 PHE HD 100 SER HB2 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1140, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 671, 679,
&end
#
# 35 PHE HD 100 SER HB2 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1140, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 128, 136,
&end
#
# 34 LEU HA 100 SER HB2 4.56
&rst
ixpk= 0, nxpk= 0, iat= 103,1140, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 35 PHE HB3 100 SER HB2 4.51
&rst
ixpk= 0, nxpk= 0, iat= 125,1140, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 35 PHE HB2 100 SER HB2 5.12
&rst
ixpk= 0, nxpk= 0, iat= 124,1140, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 33 ARG HB3 100 SER HB2 4.74
&rst
ixpk= 0, nxpk= 0, iat= 82,1140, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 33 ARG QG 100 SER HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1140, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 84, 85,
&end
#
# 33 ARG HB2 100 SER HB2 4.22
&rst
ixpk= 0, nxpk= 0, iat= 81,1140, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 34 LEU QD1 100 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1140, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 110, 111, 112,
&end
#
# 54 PRO HA 56 GLY HN 4.96
&rst
ixpk= 0, nxpk= 0, iat= 437, 461, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 89 SER HB2 93 GLN HA 5.40
&rst
ixpk= 0, nxpk= 0, iat= 967,1020, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 89 SER HB2 93 GLN HN 4.82
&rst
ixpk= 0, nxpk= 0, iat= 967,1018, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 30 SER HB2 31 ASN HN 5.41
&rst
ixpk= 0, nxpk= 0, iat= 42, 49, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 51 ILE HA 53 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 383, 420, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 ILE HA 51 ILE HG13 3.64
&rst
ixpk= 0, nxpk= 0, iat= 383, 392, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 51 ILE HA 51 ILE HG12 3.61
&rst
ixpk= 0, nxpk= 0, iat= 383, 391, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 51 ILE HA 51 ILE QD1 4.25
&rst
ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 394, 395, 396,
&end
#
# 51 ILE HA 51 ILE QG2 3.45
&rst
ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 387, 388, 389,
&end
#
# 57 PRO HA 58 MET QG 5.30
&rst
ixpk= 0, nxpk= 0, iat= 478, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2= 489, 490,
&end
#
# 30 SER HB3 32 THR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 43, 63, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 SER HB2 33 ARG HB3 4.92
&rst
ixpk= 0, nxpk= 0, iat= 42, 82, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 72 PHE HD 77 SER HB3 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 722, 730,
&end
#
# 55 PHE HD 77 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 449, 457,
&end
#
# 77 SER HN 77 SER HB2 3.92
&rst
ixpk= 0, nxpk= 0, iat= 789, 793, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 72 PHE HB2 77 SER HB2 5.22
&rst
ixpk= 0, nxpk= 0, iat= 718, 793, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 76 GLU HB2 77 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 778, 793, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 SER HB2 80 LYS QG 5.23
&rst
ixpk= 0, nxpk= 0, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 827, 828,
&end
#
# 74 GLU HN 77 SER HB2 5.16
&rst
ixpk= 0, nxpk= 0, iat= 749, 793, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 57 PRO QB 77 SER HB2 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 475, 476,
&end
#
# 43 VAL HA 47 GLU HB3 4.40
&rst
ixpk= 0, nxpk= 0, iat= 261, 323, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 43 VAL HA 43 VAL QG2 3.31
&rst
ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 269, 270, 271,
&end
#
# 43 VAL HA 43 VAL QG1 3.87
&rst
ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 265, 266, 267,
&end
#
# 52 PHE HZ 97 VAL HA 5.02
&rst
ixpk= 0, nxpk= 0, iat= 412,1085, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 32 THR HA 99 TYR HD 4.74
&rst
ixpk= 0, nxpk= 0, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1123,1132,
&end
#
# 32 THR HA 99 TYR HE 5.08
&rst
ixpk= 0, nxpk= 0, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1125,1130,
&end
#
# 32 THR HA 78 ALA HA 4.55
&rst
ixpk= 0, nxpk= 0, iat= 65, 802, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 32 THR HA 72 PHE HB2 4.60
&rst
ixpk= 0, nxpk= 0, iat= 65, 718, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 32 THR HA 78 ALA QB 3.48
&rst
ixpk= 0, nxpk= 0, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 804, 805, 806,
&end
#
# 32 THR HA 32 THR QG2 3.35
&rst
ixpk= 0, nxpk= 0, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 69, 70, 71,
&end
#
# 32 THR HA 72 PHE HN 4.76
&rst
ixpk= 0, nxpk= 0, iat= 65, 714, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 90 PHE HN 94 PRO HA 4.07
&rst
ixpk= 0, nxpk= 0, iat= 974,1045, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 88 LYS HN 94 PRO HA 4.95
&rst
ixpk= 0, nxpk= 0, iat= 941,1045, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 94 PRO HA 95 LEU QD1 5.17
&rst
ixpk= 0, nxpk= 0, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1058,1059,1060,
&end
#
# 43 VAL HA 44 GLN HN 2.81
&rst
ixpk= 0, nxpk= 0, iat= 261, 275, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end
#
# 63 ILE HA 64 LEU HN 3.23
&rst
ixpk= 0, nxpk= 0, iat= 576, 593, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 63 ILE HA 63 ILE QG1 3.93
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 584, 585,
&end
#
# 63 ILE HA 68 ALA QB 3.70
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 657, 658, 659,
&end
#
# 63 ILE HA 68 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 576, 653, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 LEU HA 97 VAL HA 3.83
&rst
ixpk= 0, nxpk= 0, iat= 103,1085, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 97 VAL HA 97 VAL QG2 3.69
&rst
ixpk= 0, nxpk= 0, iat=1085, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1093,1094,1095,
&end
#
# 97 VAL HA 97 VAL QG1 3.54
&rst
ixpk= 0, nxpk= 0, iat=1085, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1089,1090,1091,
&end
#
# 61 VAL HA 69 PHE HN 4.79
&rst
ixpk= 0, nxpk= 0, iat= 538, 663, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 61 VAL HA 62 LYS HN 3.04
&rst
ixpk= 0, nxpk= 0, iat= 538, 552, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 61 VAL HA 70 VAL HA 3.21
&rst
ixpk= 0, nxpk= 0, iat= 538, 685, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 61 VAL HA 69 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 538, 667, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 VAL HA 70 VAL QG2 4.40
&rst
ixpk= 0, nxpk= 0, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 693, 694, 695,
&end
#
# 46 SER HA 46 SER QB 2.82
&rst
ixpk= 0, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr2= 311, 312,
&end
#
# 77 SER HA 79 ALA HN 5.04
&rst
ixpk= 0, nxpk= 0, iat= 791, 810, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 51 ILE QG2 52 PHE HA 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 387, 388, 389,
&end
#
# 52 PHE HA 52 PHE HD 3.24
&rst
ixpk= 0, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 408, 416,
&end
#
# 52 PHE HA 55 PHE HD 3.90
&rst
ixpk= 0, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 449, 457,
&end
#
# 46 SER HA 49 ASN HND2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 309, 362, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 46 SER HA 49 ASN HND1 4.55
&rst
ixpk= 0, nxpk= 0, iat= 309, 361, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 45 GLU HA 49 ASN HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= 294, 352, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 45 GLU HA 49 ASN HND2 4.92
&rst
ixpk= 0, nxpk= 0, iat= 294, 362, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 45 GLU HA 48 LEU HN 4.11
&rst
ixpk= 0, nxpk= 0, iat= 294, 333, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 45 GLU HA 45 GLU QG 3.45
&rst
ixpk= 0, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 299, 300,
&end
#
# 45 GLU HA 48 LEU HB3 3.80
&rst
ixpk= 0, nxpk= 0, iat= 294, 338, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 45 GLU HA 48 LEU HB2 4.80
&rst
ixpk= 0, nxpk= 0, iat= 294, 337, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 45 GLU HA 48 LEU HG 4.77
&rst
ixpk= 0, nxpk= 0, iat= 294, 340, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 45 GLU HA 63 ILE QD1 3.44
&rst
ixpk= 0, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 587, 588, 589,
&end
#
# 45 GLU HA 48 LEU QD2 4.42
&rst
ixpk= 0, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 346, 347, 348,
&end
#
# 70 VAL HA 71 GLU HN 3.13
&rst
ixpk= 0, nxpk= 0, iat= 685, 699, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 69 PHE HN 70 VAL HA 5.35
&rst
ixpk= 0, nxpk= 0, iat= 663, 685, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 69 PHE HA 70 VAL HA 4.93
&rst
ixpk= 0, nxpk= 0, iat= 665, 685, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 61 VAL QG2 70 VAL HA 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 546, 547, 548,
&end
#
# 70 VAL HA 70 VAL QG2 3.61
&rst
ixpk= 0, nxpk= 0, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 693, 694, 695,
&end
#
# 70 VAL HA 70 VAL QG1 3.66
&rst
ixpk= 0, nxpk= 0, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 689, 690, 691,
&end
#
# 86 HIS HA 97 VAL HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= 919,1083, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 86 HIS HA 88 LYS HN 4.28
&rst
ixpk= 0, nxpk= 0, iat= 919, 941, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 86 HIS HA 96 GLU HA 4.54
&rst
ixpk= 0, nxpk= 0, iat= 919,1070, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 35 PHE HD 36 VAL HA 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 128, 136,
&end
#
# 36 VAL HA 37 ARG HG2 5.29
&rst
ixpk= 0, nxpk= 0, iat= 142, 163, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 70 VAL HA 71 GLU QG 5.45
&rst
ixpk= 0, nxpk= 0, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 706, 707,
&end
#
# 70 VAL HA 71 GLU HB2 5.37
&rst
ixpk= 0, nxpk= 0, iat= 685, 703, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 76 GLU HA 79 ALA HN 4.01
&rst
ixpk= 0, nxpk= 0, iat= 776, 810, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 76 GLU HA 80 LYS HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= 776, 820, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 76 GLU HA 76 GLU HG2 3.34
&rst
ixpk= 0, nxpk= 0, iat= 776, 781, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 76 GLU HA 79 ALA QB 3.46
&rst
ixpk= 0, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 814, 815, 816,
&end
#
# 36 VAL HA 96 GLU HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= 142,1068, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 33 ARG HN 99 TYR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 77,1117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 VAL HA 37 ARG HN 3.14
&rst
ixpk= 0, nxpk= 0, iat= 142, 156, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 36 VAL HA 36 VAL QG2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 150, 151, 152,
&end
#
# 36 VAL HA 36 VAL QG1 3.59
&rst
ixpk= 0, nxpk= 0, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 146, 147, 148,
&end
#
# 55 PHE HA 55 PHE HD 4.30
&rst
ixpk= 0, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 449, 457,
&end
#
# 55 PHE HA 80 LYS QB 4.49
&rst
ixpk= 0, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 824, 825,
&end
#
# 55 PHE HA 80 LYS QG 5.21
&rst
ixpk= 0, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 827, 828,
&end
#
# 55 PHE HA 81 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 846, 847, 848,
&end
#
# 73 GLU HA 73 GLU HB3 2.96
&rst
ixpk= 0, nxpk= 0, iat= 736, 739, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 83 GLU HA 83 GLU HG3 3.65
&rst
ixpk= 0, nxpk= 0, iat= 873, 879, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 83 GLU HA 83 GLU QB 2.83
&rst
ixpk= 0, nxpk= 0, iat= 873, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr2= 875, 876,
&end
#
# 50 GLU HA 50 GLU HG3 3.67
&rst
ixpk= 0, nxpk= 0, iat= 368, 374, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 50 GLU HA 50 GLU HB2 2.94
&rst
ixpk= 0, nxpk= 0, iat= 368, 370, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 50 GLU HA 54 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 368, 429, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 ILE HB 83 GLU HA 4.57
&rst
ixpk= 0, nxpk= 0, iat= 856, 873, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 90 PHE HA 90 PHE HD 3.98
&rst
ixpk= 0, nxpk= 0, iat= 976, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 982, 990,
&end
#
# 90 PHE HA 91 ALA QB 5.36
&rst
ixpk= 0, nxpk= 0, iat= 976, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2= 998, 999,1000,
&end
#
# 90 PHE HA 95 LEU QD2 4.64
&rst
ixpk= 0, nxpk= 0, iat= 976, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1062,1063,1064,
&end
#
# 90 PHE HA 95 LEU QD1 5.05
&rst
ixpk= 0, nxpk= 0, iat= 976, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1058,1059,1060,
&end
#
# 43 VAL QG2 48 LEU HA 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 269, 270, 271,
&end
#
# 80 LYS HA 82 ILE QD1 5.28
&rst
ixpk= 0, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 865, 866, 867,
&end
#
# 80 LYS HA 83 GLU HN 4.39
&rst
ixpk= 0, nxpk= 0, iat= 822, 871, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 80 LYS HA 83 GLU QB 3.13
&rst
ixpk= 0, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 875, 876,
&end
#
# 80 LYS HA 80 LYS QG 3.39
&rst
ixpk= 0, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 827, 828,
&end
#
# 80 LYS HA 84 GLU HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= 822, 886, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 48 LEU HA 52 PHE HD 4.29
&rst
ixpk= 0, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 408, 416,
&end
#
# 48 LEU HA 48 LEU HG 3.76
&rst
ixpk= 0, nxpk= 0, iat= 335, 340, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 48 LEU HA 51 ILE QD1 3.90
&rst
ixpk= 0, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 394, 395, 396,
&end
#
# 35 PHE HD 100 SER HA 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 128, 136,
&end
#
# 35 PHE HB2 100 SER HA 4.19
&rst
ixpk= 0, nxpk= 0, iat= 124,1138, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 98 VAL QG1 100 SER HA 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1105,1106,1107,
&end
#
# 84 GLU HA 86 HIS HN 5.47
&rst
ixpk= 0, nxpk= 0, iat= 888, 917, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 84 GLU HA 84 GLU HG2 3.48
&rst
ixpk= 0, nxpk= 0, iat= 888, 893, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 59 LYS HA 59 LYS QB 2.87
&rst
ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
igr2= 503, 504,
&end
#
# 41 LEU HA 43 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 265, 266, 267,
&end
#
# 41 LEU HA 43 VAL HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= 230, 259, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 60 GLU HA 60 GLU HG3 3.47
&rst
ixpk= 0, nxpk= 0, iat= 523, 529, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 59 LYS QB 60 GLU HA 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 523, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 503, 504,
&end
#
# 60 GLU HA 61 VAL QG1 5.45
&rst
ixpk= 0, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2= 542, 543, 544,
&end
#
# 49 ASN HA 49 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 354, 361, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 ASN HA 51 ILE HN 4.46
&rst
ixpk= 0, nxpk= 0, iat= 354, 381, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 68 ALA HN 69 PHE HA 5.25
&rst
ixpk= 0, nxpk= 0, iat= 653, 665, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 69 PHE HA 69 PHE HD 3.89
&rst
ixpk= 0, nxpk= 0, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 671, 679,
&end
#
# 35 PHE HD 69 PHE HA 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 128, 136,
&end
#
# 62 LYS HB2 69 PHE HA 5.10
&rst
ixpk= 0, nxpk= 0, iat= 556, 665, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 36 VAL QG1 69 PHE HA 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 146, 147, 148,
&end
#
# 34 LEU HN 69 PHE HA 5.10
&rst
ixpk= 0, nxpk= 0, iat= 101, 665, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 69 PHE HA 70 VAL HN 3.31
&rst
ixpk= 0, nxpk= 0, iat= 665, 683, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 69 PHE HA 69 PHE HE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 673, 677,
&end
#
# 68 ALA QB 69 PHE HA 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 657, 658, 659,
&end
#
# 60 GLU HA 61 VAL HN 2.90
&rst
ixpk= 0, nxpk= 0, iat= 523, 536, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 60 GLU HA 60 GLU HG2 2.99
&rst
ixpk= 0, nxpk= 0, iat= 523, 528, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 89 SER HA 95 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 965,1049, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 SER HA 95 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1062,1063,1064,
&end
#
# 88 LYS HA 88 LYS HG3 2.96
&rst
ixpk= 0, nxpk= 0, iat= 943, 949, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 33 ARG HA 72 PHE HN 4.08
&rst
ixpk= 0, nxpk= 0, iat= 79, 714, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 33 ARG HA 71 GLU HA 3.88
&rst
ixpk= 0, nxpk= 0, iat= 79, 701, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 33 ARG HA 34 LEU QD2 5.30
&rst
ixpk= 0, nxpk= 0, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2= 114, 115, 116,
&end
#
# 39 PHE HA 43 VAL QG1 4.89
&rst
ixpk= 0, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 265, 266, 267,
&end
#
# 39 PHE HA 39 PHE HD 3.81
&rst
ixpk= 0, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 202, 210,
&end
#
# 58 MET HA 59 LYS HN 3.40
&rst
ixpk= 0, nxpk= 0, iat= 484, 499, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 58 MET HA 70 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 689, 690, 691,
&end
#
# 58 MET HA 60 GLU HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= 484, 521, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 58 MET HA 72 PHE HD 4.64
&rst
ixpk= 0, nxpk= 0, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 722, 730,
&end
#
# 31 ASN HB2 75 ALA HA 5.13
&rst
ixpk= 0, nxpk= 0, iat= 53, 766, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 67 PHE HA 68 ALA HN 3.46
&rst
ixpk= 0, nxpk= 0, iat= 635, 653, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 39 PHE HE 67 PHE HA 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 204, 208,
&end
#
# 37 ARG HB3 67 PHE HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 161, 635, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 67 PHE HA 68 ALA QB 5.06
&rst
ixpk= 0, nxpk= 0, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 657, 658, 659,
&end
#
# 72 PHE HD 78 ALA HA 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 802, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 722, 730,
&end
#
# 31 ASN HB3 75 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 54, 766, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 ALA HA 76 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 766, 781, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 THR QG2 75 ALA HA 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 69, 70, 71,
&end
#
# 79 ALA HA 83 GLU HN 4.56
&rst
ixpk= 0, nxpk= 0, iat= 812, 871, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 78 ALA HN 79 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 800, 812, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 ALA HA 82 ILE QD1 4.33
&rst
ixpk= 0, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 865, 866, 867,
&end
#
# 79 ALA HA 82 ILE HG12 4.77
&rst
ixpk= 0, nxpk= 0, iat= 812, 862, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 52 PHE HD 81 ALA HA 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 408, 416,
&end
#
# 55 PHE HD 81 ALA HA 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 449, 457,
&end
#
# 80 LYS QG 81 ALA HA 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1= 827, 828,
&end
#
# 34 LEU QD1 81 ALA HA 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 110, 111, 112,
&end
#
# 96 GLU HA 97 VAL HN 3.13
&rst
ixpk= 0, nxpk= 0, iat=1070,1083, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 96 GLU HA 97 VAL QG2 4.61
&rst
ixpk= 0, nxpk= 0, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1093,1094,1095,
&end
#
# 96 GLU HA 98 VAL QG2 5.80
&rst
ixpk= 0, nxpk= 0, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=1109,1110,1111,
&end
#
# 94 PRO HA 95 LEU HA 5.17
&rst
ixpk= 0, nxpk= 0, iat=1045,1051, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 95 LEU HA 96 GLU HN 3.18
&rst
ixpk= 0, nxpk= 0, iat=1051,1068, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 91 ALA QB 92 ASN HA 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 998, 999,1000,
&end
#
# 92 ASN HA 93 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1006,1025, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 ALA HA 82 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 858, 859, 860,
&end
#
# 81 ALA HA 84 GLU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 844, 890, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 GLY HN 96 GLU HA 4.29
&rst
ixpk= 0, nxpk= 0, iat= 934,1070, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 71 GLU HA 72 PHE HB2 4.93
&rst
ixpk= 0, nxpk= 0, iat= 701, 718, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 71 GLU HA 71 GLU QG 4.02
&rst
ixpk= 0, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 706, 707,
&end
#
# 33 ARG HB2 71 GLU HA 4.62
&rst
ixpk= 0, nxpk= 0, iat= 81, 701, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 34 LEU HN 71 GLU HA 4.12
&rst
ixpk= 0, nxpk= 0, iat= 101, 701, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 60 GLU HN 71 GLU HA 5.36
&rst
ixpk= 0, nxpk= 0, iat= 521, 701, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 70 VAL HA 71 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 685, 701, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 ARG QD 71 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 87, 88,
&end
#
# 29 LEU HA 29 LEU HG 3.92
&rst
ixpk= 0, nxpk= 0, iat= 21, 26, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 29 LEU HA 29 LEU QD1 3.48
&rst
ixpk= 0, nxpk= 0, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 28, 29, 30,
&end
#
# 71 GLU HA 72 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 701, 719, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 GLU HA 72 PHE HD 4.96
&rst
ixpk= 0, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 722, 730,
&end
#
# 44 GLN HA 63 ILE QD1 4.17
&rst
ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 587, 588, 589,
&end
#
# 64 LEU HA 64 LEU QD1 3.29
&rst
ixpk= 0, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 602, 603, 604,
&end
#
# 37 ARG HA 39 PHE HD 4.89
&rst
ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 202, 210,
&end
#
# 37 ARG HA 39 PHE HE 5.36
&rst
ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 204, 208,
&end
#
# 37 ARG HA 67 PHE HA 3.75
&rst
ixpk= 0, nxpk= 0, iat= 158, 635, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 34 LEU HA 100 SER HN 3.92
&rst
ixpk= 0, nxpk= 0, iat= 103,1136, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 34 LEU HA 35 PHE HB3 4.96
&rst
ixpk= 0, nxpk= 0, iat= 103, 125, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 34 LEU HA 34 LEU QD2 4.33
&rst
ixpk= 0, nxpk= 0, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 114, 115, 116,
&end
#
# 34 LEU HA 34 LEU QD1 3.64
&rst
ixpk= 0, nxpk= 0, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 110, 111, 112,
&end
#
# 91 ALA HA 92 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 996,1009, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 ALA HA 92 ASN HA 4.89
&rst
ixpk= 0, nxpk= 0, iat= 996,1006, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 93 GLN HA 93 GLN HG2 3.79
&rst
ixpk= 0, nxpk= 0, iat=1020,1025, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 93 GLN HA 94 PRO HG2 4.58
&rst
ixpk= 0, nxpk= 0, iat=1020,1039, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 42 ASP HA 42 ASP HB2 3.01
&rst
ixpk= 0, nxpk= 0, iat= 249, 251, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 31 ASN HA 99 TYR HD 3.62
&rst
ixpk= 0, nxpk= 0, iat= 51, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1123,1132,
&end
#
# 31 ASN HA 99 TYR HE 3.87
&rst
ixpk= 0, nxpk= 0, iat= 51, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1125,1130,
&end
#
# 42 ASP HA 42 ASP HB3 3.01
&rst
ixpk= 0, nxpk= 0, iat= 249, 252, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 54 PRO HD2 55 PHE HD 5.47
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 449, 457,
&end
#
# 51 ILE HA 54 PRO HD2 4.99
&rst
ixpk= 0, nxpk= 0, iat= 383, 428, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 54 PRO HD3 55 PHE HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= 429, 441, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 52 PHE HA 54 PRO HD3 4.96
&rst
ixpk= 0, nxpk= 0, iat= 402, 429, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 53 GLY QA 54 PRO HD3 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 422, 423,
&end
#
# 52 PHE HN 54 PRO HD3 5.29
&rst
ixpk= 0, nxpk= 0, iat= 400, 429, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 54 PRO HD2 55 PHE HN 4.49
&rst
ixpk= 0, nxpk= 0, iat= 428, 441, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 57 PRO HD3 80 LYS QE 4.11
&rst
ixpk= 0, nxpk= 0, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 833, 834,
&end
#
# 68 ALA HA 69 PHE HN 3.22
&rst
ixpk= 0, nxpk= 0, iat= 655, 663, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 64 LEU HN 68 ALA HA 3.78
&rst
ixpk= 0, nxpk= 0, iat= 593, 655, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 63 ILE HA 68 ALA HA 3.49
&rst
ixpk= 0, nxpk= 0, iat= 576, 655, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 68 ALA HA 69 PHE HB2 4.97
&rst
ixpk= 0, nxpk= 0, iat= 655, 667, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 62 LYS HB2 68 ALA HA 4.85
&rst
ixpk= 0, nxpk= 0, iat= 556, 655, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 93 GLN HN 94 PRO QD 5.17
&rst
ixpk= 0, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1036,1037,
&end
#
# 93 GLN HA 94 PRO QD 3.32
&rst
ixpk= 0, nxpk= 0, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1036,1037,
&end
#
# 93 GLN HB2 94 PRO QD 3.18
&rst
ixpk= 0, nxpk= 0, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2=1036,1037,
&end
#
# 37 ARG HD2 67 PHE HE 5.21
&rst
ixpk= 0, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 643, 647,
&end
#
# 53 GLY QA 56 GLY HN 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 422, 423,
&end
#
# 53 GLY QA 55 PHE HN 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 422, 423,
&end
#
# 52 PHE HN 53 GLY QA 4.70
&rst
ixpk= 0, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 422, 423,
&end
#
# 52 PHE HA 53 GLY QA 5.47
&rst
ixpk= 0, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 422, 423,
&end
#
# 52 PHE HB2 53 GLY QA 4.86
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 422, 423,
&end
#
# 53 GLY QA 58 MET QE 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 422, 423,
igr2= 493, 494, 495,
&end
#
# 53 GLY QA 54 PRO QG 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 422, 423,
igr2= 431, 432,
&end
#
# 53 GLY QA 58 MET QG 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 422, 423,
igr2= 489, 490,
&end
#
# 65 ASN HB3 66 GLY HA3 5.45
&rst
ixpk= 0, nxpk= 0, iat= 617, 629, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 66 GLY HA2 67 PHE HD 5.42
&rst
ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 641, 649,
&end
#
# 41 LEU QD1 66 GLY HA2 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 237, 238, 239,
&end
#
# 39 PHE HB2 66 GLY HA3 4.98
&rst
ixpk= 0, nxpk= 0, iat= 198, 629, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 86 HIS HD2 87 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 930, 937, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 GLY HA3 94 PRO HB3 4.41
&rst
ixpk= 0, nxpk= 0, iat= 937,1043, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 87 GLY HA3 94 PRO HB2 4.59
&rst
ixpk= 0, nxpk= 0, iat= 937,1042, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 87 GLY HA2 94 PRO HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 936,1039, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 GLY HA2 94 PRO HB3 4.31
&rst
ixpk= 0, nxpk= 0, iat= 936,1043, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 87 GLY HA3 94 PRO HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 937,1040, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 GLY QA 57 PRO HD2 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 469, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 463, 464,
&end
#
# 56 GLY QA 57 PRO HG2 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 463, 464,
&end
#
# 56 GLY QA 57 PRO HG3 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 463, 464,
&end
#
# 56 GLY QA 57 PRO QB 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 463, 464,
igr2= 475, 476,
&end
#
# 34 LEU HB2 98 VAL HN 5.39
&rst
ixpk= 0, nxpk= 0, iat= 105,1099, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 34 LEU HB3 34 LEU QD2 4.05
&rst
ixpk= 0, nxpk= 0, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 114, 115, 116,
&end
#
# 34 LEU HB3 35 PHE HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= 106, 120, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 34 LEU HB3 70 VAL HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= 106, 683, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 34 LEU HB2 70 VAL HN 5.30
&rst
ixpk= 0, nxpk= 0, iat= 105, 683, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 34 LEU HB2 34 LEU QD2 3.89
&rst
ixpk= 0, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 114, 115, 116,
&end
#
# 37 ARG HD3 67 PHE HE 3.86
&rst
ixpk= 0, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2= 643, 647,
&end
#
# 95 LEU HB3 96 GLU HN 4.63
&rst
ixpk= 0, nxpk= 0, iat=1054,1068, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 88 LYS HN 95 LEU HB3 4.94
&rst
ixpk= 0, nxpk= 0, iat= 941,1054, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 95 LEU HB3 97 VAL QG2 5.17
&rst
ixpk= 0, nxpk= 0, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1093,1094,1095,
&end
#
# 95 LEU HB3 95 LEU QD2 3.90
&rst
ixpk= 0, nxpk= 0, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1062,1063,1064,
&end
#
# 95 LEU HB3 95 LEU QD1 4.23
&rst
ixpk= 0, nxpk= 0, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1058,1059,1060,
&end
#
# 95 LEU HB2 95 LEU QD2 3.96
&rst
ixpk= 0, nxpk= 0, iat=1053, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1062,1063,1064,
&end
#
# 37 ARG HN 37 ARG HD3 5.29
&rst
ixpk= 0, nxpk= 0, iat= 156, 167, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 39 PHE HB3 43 VAL QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 269, 270, 271,
&end
#
# 39 PHE HN 39 PHE HB3 4.09
&rst
ixpk= 0, nxpk= 0, iat= 194, 199, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 39 PHE HB2 43 VAL HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= 198, 261, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 39 PHE HB2 43 VAL QG2 4.88
&rst
ixpk= 0, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 269, 270, 271,
&end
#
# 39 PHE HB2 43 VAL QG1 4.21
&rst
ixpk= 0, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 265, 266, 267,
&end
#
# 29 LEU HB3 31 ASN HN 4.41
&rst
ixpk= 0, nxpk= 0, iat= 24, 49, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 29 LEU HB3 30 SER HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 24, 40, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 LEU HB3 99 TYR HB3 4.75
&rst
ixpk= 0, nxpk= 0, iat= 24,1120, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 29 LEU HB3 99 TYR HB2 5.08
&rst
ixpk= 0, nxpk= 0, iat= 24,1119, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 29 LEU HB3 29 LEU QD2 3.82
&rst
ixpk= 0, nxpk= 0, iat= 24, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 32, 33, 34,
&end
#
# 29 LEU HB3 29 LEU QD1 4.23
&rst
ixpk= 0, nxpk= 0, iat= 24, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 28, 29, 30,
&end
#
# 29 LEU HB3 99 TYR HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 24, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1123,1132,
&end
#
# 29 LEU HB2 31 ASN HN 4.56
&rst
ixpk= 0, nxpk= 0, iat= 23, 49, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 29 LEU HB2 29 LEU QD2 3.80
&rst
ixpk= 0, nxpk= 0, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 32, 33, 34,
&end
#
# 29 LEU HB2 99 TYR HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat= 23,1119, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 34 LEU HN 69 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 101, 668, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 VAL QG1 88 LYS QE 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 907, 908, 909,
igr2= 954, 955,
&end
#
# 39 PHE HE 90 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 204, 208,
&end
#
# 90 PHE HB2 91 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 998, 999,1000,
&end
#
# 62 LYS HB3 69 PHE HB2 4.20
&rst
ixpk= 0, nxpk= 0, iat= 557, 667, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 62 LYS HD2 69 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 562, 667, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 LYS QE 74 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 512, 513,
&end
#
# 59 LYS HD3 59 LYS QE 2.65
&rst
ixpk= 0, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr2= 512, 513,
&end
#
# 59 LYS QE 73 GLU HB3 2.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 739, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,
igr1= 512, 513,
&end
#
# 72 PHE HB2 78 ALA QB 4.15
&rst
ixpk= 0, nxpk= 0, iat= 718, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 804, 805, 806,
&end
#
# 34 LEU QD2 72 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 718, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 114, 115, 116,
&end
#
# 72 PHE HN 72 PHE HB2 3.76
&rst
ixpk= 0, nxpk= 0, iat= 714, 718, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 72 PHE HB2 77 SER HB3 4.36
&rst
ixpk= 0, nxpk= 0, iat= 718, 794, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 72 PHE HB2 78 ALA HN 5.06
&rst
ixpk= 0, nxpk= 0, iat= 718, 800, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 52 PHE HB3 55 PHE HD 4.53
&rst
ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 449, 457,
&end
#
# 52 PHE HB3 81 ALA QB 5.39
&rst
ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2= 846, 847, 848,
&end
#
# 35 PHE HB3 69 PHE HD 4.99
&rst
ixpk= 0, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 671, 679,
&end
#
# 35 PHE HB3 69 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 125, 665, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 PHE HB3 98 VAL QG1 4.22
&rst
ixpk= 0, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1105,1106,1107,
&end
#
# 35 PHE HN 35 PHE HB2 3.76
&rst
ixpk= 0, nxpk= 0, iat= 120, 124, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 51 ILE HB 52 PHE HB2 4.90
&rst
ixpk= 0, nxpk= 0, iat= 385, 404, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 48 LEU HB3 49 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 338, 354, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 LEU HB3 63 ILE QD1 5.26
&rst
ixpk= 0, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2= 587, 588, 589,
&end
#
# 48 LEU HB3 52 PHE HD 5.03
&rst
ixpk= 0, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2= 408, 416,
&end
#
# 48 LEU HB3 49 ASN HND2 5.25
&rst
ixpk= 0, nxpk= 0, iat= 338, 362, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 48 LEU HB3 70 VAL QG1 4.39
&rst
ixpk= 0, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 689, 690, 691,
&end
#
# 40 PRO HB3 41 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 222, 232, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 LEU HB2 52 PHE HD 4.72
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 408, 416,
&end
#
# 52 PHE HB3 53 GLY HN 4.92
&rst
ixpk= 0, nxpk= 0, iat= 405, 420, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 52 PHE HB2 61 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 546, 547, 548,
&end
#
# 52 PHE HB2 70 VAL QG1 4.42
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 689, 690, 691,
&end
#
# 41 LEU HB3 41 LEU QD2 3.75
&rst
ixpk= 0, nxpk= 0, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 241, 242, 243,
&end
#
# 41 LEU HB2 42 ASP HN 4.81
&rst
ixpk= 0, nxpk= 0, iat= 232, 247, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 41 LEU HB2 41 LEU QD2 3.70
&rst
ixpk= 0, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 241, 242, 243,
&end
#
# 64 LEU HB3 64 LEU QD1 3.86
&rst
ixpk= 0, nxpk= 0, iat= 598, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 602, 603, 604,
&end
#
# 64 LEU HB3 67 PHE HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= 598, 633, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 63 ILE HA 64 LEU HB2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 576, 597, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 64 LEU HB2 65 ASN HN 4.41
&rst
ixpk= 0, nxpk= 0, iat= 597, 612, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 64 LEU HB2 67 PHE HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= 597, 633, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 64 LEU HB2 67 PHE HD 5.38
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 641, 649,
&end
#
# 64 LEU HB2 64 LEU QD1 4.04
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 602, 603, 604,
&end
#
# 63 ILE QG2 64 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 580, 581, 582,
&end
#
# 42 ASP HB2 43 VAL HA 5.43
&rst
ixpk= 0, nxpk= 0, iat= 251, 261, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 51 ILE HB 52 PHE HD 4.23
&rst
ixpk= 0, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 408, 416,
&end
#
# 48 LEU HA 51 ILE HB 3.93
&rst
ixpk= 0, nxpk= 0, iat= 335, 385, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 51 ILE HB 51 ILE QD1 3.85
&rst
ixpk= 0, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 394, 395, 396,
&end
#
# 51 ILE HB 52 PHE HA 5.35
&rst
ixpk= 0, nxpk= 0, iat= 385, 402, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 29 LEU HA 99 TYR HB3 5.18
&rst
ixpk= 0, nxpk= 0, iat= 21,1120, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 99 TYR HB3 100 SER HN 4.44
&rst
ixpk= 0, nxpk= 0, iat=1120,1136, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 29 LEU QD1 99 TYR HB3 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 28, 29, 30,
&end
#
# 29 LEU HB2 99 TYR HB3 4.16
&rst
ixpk= 0, nxpk= 0, iat= 23,1120, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 29 LEU QD1 99 TYR HB2 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 28, 29, 30,
&end
#
# 31 ASN HB2 99 TYR HE 4.99
&rst
ixpk= 0, nxpk= 0, iat= 53, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1125,1130,
&end
#
# 31 ASN HB2 75 ALA QB 4.18
&rst
ixpk= 0, nxpk= 0, iat= 53, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 768, 769, 770,
&end
#
# 31 ASN HB3 75 ALA QB 4.21
&rst
ixpk= 0, nxpk= 0, iat= 54, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 768, 769, 770,
&end
#
# 63 ILE HB 64 LEU HN 4.88
&rst
ixpk= 0, nxpk= 0, iat= 578, 593, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 55 PHE HB2 80 LYS QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 830, 831,
&end
#
# 82 ILE HB 84 GLU HN 5.19
&rst
ixpk= 0, nxpk= 0, iat= 856, 886, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 79 ALA HA 82 ILE HB 3.92
&rst
ixpk= 0, nxpk= 0, iat= 812, 856, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 55 PHE HB3 56 GLY QA 4.55
&rst
ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 463, 464,
&end
#
# 55 PHE HB3 80 LYS QG 5.49
&rst
ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 827, 828,
&end
#
# 55 PHE HN 55 PHE HB3 3.59
&rst
ixpk= 0, nxpk= 0, iat= 441, 446, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 55 PHE HB3 81 ALA QB 4.79
&rst
ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 846, 847, 848,
&end
#
# 55 PHE HB2 81 ALA QB 4.78
&rst
ixpk= 0, nxpk= 0, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 846, 847, 848,
&end
#
# 55 PHE HN 55 PHE HB2 3.64
&rst
ixpk= 0, nxpk= 0, iat= 441, 445, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 55 PHE HB2 72 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 722, 730,
&end
#
# 52 PHE HA 55 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 402, 445, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 PHE HB2 80 LYS QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 827, 828,
&end
#
# 91 ALA QB 92 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 998, 999,1000,
&end
#
# 49 ASN HB3 58 MET QE 5.21
&rst
ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2= 493, 494, 495,
&end
#
# 44 GLN HN 47 GLU HG3 4.75
&rst
ixpk= 0, nxpk= 0, iat= 275, 326, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 47 GLU HN 47 GLU HG3 3.94
&rst
ixpk= 0, nxpk= 0, iat= 318, 326, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 47 GLU HA 47 GLU HG3 3.71
&rst
ixpk= 0, nxpk= 0, iat= 320, 326, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 44 GLN HN 47 GLU HG2 4.73
&rst
ixpk= 0, nxpk= 0, iat= 275, 325, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 47 GLU HN 47 GLU HG2 3.89
&rst
ixpk= 0, nxpk= 0, iat= 318, 325, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 47 GLU HA 47 GLU HG2 3.76
&rst
ixpk= 0, nxpk= 0, iat= 320, 325, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 43 VAL QG2 47 GLU HG2 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 269, 270, 271,
&end
#
# 49 ASN HN 49 ASN HB3 3.64
&rst
ixpk= 0, nxpk= 0, iat= 352, 357, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 49 ASN HB3 50 GLU HN 4.05
&rst
ixpk= 0, nxpk= 0, iat= 357, 366, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 46 SER HA 49 ASN HB3 3.77
&rst
ixpk= 0, nxpk= 0, iat= 309, 357, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 46 SER HA 49 ASN HB2 3.68
&rst
ixpk= 0, nxpk= 0, iat= 309, 356, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 46 SER QB 49 ASN HB2 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 311, 312,
&end
#
# 49 ASN HB2 58 MET QE 5.22
&rst
ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2= 493, 494, 495,
&end
#
# 64 LEU HB2 65 ASN HB2 5.35
&rst
ixpk= 0, nxpk= 0, iat= 597, 616, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 64 LEU HB3 65 ASN HB2 5.07
&rst
ixpk= 0, nxpk= 0, iat= 598, 616, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 41 LEU QD1 65 ASN HB2 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 237, 238, 239,
&end
#
# 55 PHE HD 84 GLU HG2 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 449, 457,
&end
#
# 84 GLU HG2 85 VAL QG1 4.99
&rst
ixpk= 0, nxpk= 0, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 907, 908, 909,
&end
#
# 41 LEU QD1 65 ASN HB3 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 237, 238, 239,
&end
#
# 65 ASN HB2 66 GLY HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= 616, 626, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 65 ASN HB2 67 PHE HN 4.66
&rst
ixpk= 0, nxpk= 0, iat= 616, 633, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 55 PHE HD 84 GLU HG3 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 449, 457,
&end
#
# 55 PHE HZ 84 GLU HG3 4.33
&rst
ixpk= 0, nxpk= 0, iat= 453, 894, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 84 GLU HA 84 GLU HG3 3.79
&rst
ixpk= 0, nxpk= 0, iat= 888, 894, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 80 LYS QG 84 GLU HG3 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 827, 828,
&end
#
# 84 GLU HG3 85 VAL QG1 5.02
&rst
ixpk= 0, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 907, 908, 909,
&end
#
# 80 LYS QG 84 GLU HG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 827, 828,
&end
#
# 74 GLU HG3 77 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 757, 789, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 GLU QG 63 ILE QD1 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 299, 300,
igr2= 587, 588, 589,
&end
#
# 34 LEU HN 71 GLU QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 706, 707,
&end
#
# 71 GLU QG 72 PHE HN 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 706, 707,
&end
#
# 33 ARG HA 71 GLU QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 706, 707,
&end
#
# 59 LYS QB 73 GLU HG2 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 741, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 503, 504,
&end
#
# 32 THR QG2 71 GLU QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 69, 70, 71,
igr2= 706, 707,
&end
#
# 98 VAL HB 99 TYR HN 3.31
&rst
ixpk= 0, nxpk= 0, iat=1103,1115, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 82 ILE QG2 83 GLU HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 858, 859, 860,
&end
#
# 50 GLU HN 50 GLU HG2 4.05
&rst
ixpk= 0, nxpk= 0, iat= 366, 373, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 50 GLU HG2 51 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 373, 381, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 GLU HA 50 GLU HG2 3.85
&rst
ixpk= 0, nxpk= 0, iat= 368, 373, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 73 GLU HG3 74 GLU HN 4.36
&rst
ixpk= 0, nxpk= 0, iat= 742, 749, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 45 GLU QG 61 VAL QG2 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1= 299, 300,
igr2= 546, 547, 548,
&end
#
# 96 GLU HG2 97 VAL HN 5.16
&rst
ixpk= 0, nxpk= 0, iat=1075,1083, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 96 GLU HN 96 GLU HG2 4.66
&rst
ixpk= 0, nxpk= 0, iat=1068,1075, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 73 GLU HA 73 GLU HG3 3.80
&rst
ixpk= 0, nxpk= 0, iat= 736, 742, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 45 GLU QG 48 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 299, 300,
&end
#
# 60 GLU HN 60 GLU HG3 5.09
&rst
ixpk= 0, nxpk= 0, iat= 521, 529, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 59 LYS QE 71 GLU QG 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 512, 513,
igr2= 706, 707,
&end
#
# 73 GLU HA 73 GLU HG2 3.73
&rst
ixpk= 0, nxpk= 0, iat= 736, 741, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 60 GLU HN 60 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 521, 528, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 GLU HG2 84 GLU HN 5.11
&rst
ixpk= 0, nxpk= 0, iat= 878, 886, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 83 GLU HA 83 GLU HG2 3.81
&rst
ixpk= 0, nxpk= 0, iat= 873, 878, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 62 LYS HB3 69 PHE HD 4.84
&rst
ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 671, 679,
&end
#
# 62 LYS HB2 69 PHE HB2 4.32
&rst
ixpk= 0, nxpk= 0, iat= 556, 667, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 62 LYS HB2 69 PHE HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 556, 663, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 62 LYS HB2 69 PHE HD 4.79
&rst
ixpk= 0, nxpk= 0, iat= 556, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 671, 679,
&end
#
# 62 LYS HB2 64 LEU QD1 4.93
&rst
ixpk= 0, nxpk= 0, iat= 556, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 602, 603, 604,
&end
#
# 62 LYS HB2 62 LYS HE3 4.64
&rst
ixpk= 0, nxpk= 0, iat= 556, 566, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 68 ALA QB 70 VAL HB 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 657, 658, 659,
&end
#
# 36 VAL HB 39 PHE HE 3.84
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 204, 208,
&end
#
# 61 VAL HA 62 LYS HB2 5.16
&rst
ixpk= 0, nxpk= 0, iat= 538, 556, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 58 MET HB2 70 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 689, 690, 691,
&end
#
# 34 LEU HN 70 VAL HB 4.74
&rst
ixpk= 0, nxpk= 0, iat= 101, 687, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 61 VAL HA 70 VAL HB 5.41
&rst
ixpk= 0, nxpk= 0, iat= 538, 687, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 70 VAL HB 71 GLU HN 4.95
&rst
ixpk= 0, nxpk= 0, iat= 687, 699, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 70 VAL HN 70 VAL HB 3.85
&rst
ixpk= 0, nxpk= 0, iat= 683, 687, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 69 PHE HA 70 VAL HB 4.82
&rst
ixpk= 0, nxpk= 0, iat= 665, 687, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 34 LEU HB2 70 VAL HB 3.89
&rst
ixpk= 0, nxpk= 0, iat= 105, 687, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 34 LEU QD2 70 VAL HB 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 114, 115, 116,
&end
#
# 34 LEU QD1 70 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 110, 111, 112,
&end
#
# 52 PHE HD 70 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 408, 416,
&end
#
# 58 MET HB2 59 LYS HA 5.24
&rst
ixpk= 0, nxpk= 0, iat= 486, 501, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 59 LYS QB 73 GLU HA 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 503, 504,
&end
#
# 58 MET HA 59 LYS QB 4.88
&rst
ixpk= 0, nxpk= 0, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 503, 504,
&end
#
# 59 LYS QB 59 LYS HD3 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr1= 503, 504,
&end
#
# 45 GLU HA 61 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 294, 540, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 VAL HB 63 ILE QD1 5.36
&rst
ixpk= 0, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2= 587, 588, 589,
&end
#
# 59 LYS QB 59 LYS QE 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 503, 504,
igr2= 512, 513,
&end
#
# 59 LYS QB 73 GLU HB3 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 739, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 503, 504,
&end
#
# 43 VAL QG1 44 GLN QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 265, 266, 267,
igr2= 282, 283,
&end
#
# 44 GLN HN 44 GLN QG 3.92
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 282, 283,
&end
#
# 44 GLN QG 47 GLU HN 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 282, 283,
&end
#
# 44 GLN HA 44 GLN QG 3.79
&rst
ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 282, 283,
&end
#
# 43 VAL HA 44 GLN QG 4.71
&rst
ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 282, 283,
&end
#
# 38 PRO HB3 39 PHE HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= 188, 194, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 38 PRO HB2 39 PHE HN 4.24
&rst
ixpk= 0, nxpk= 0, iat= 187, 194, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 43 VAL QG2 44 GLN QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 269, 270, 271,
igr2= 282, 283,
&end
#
# 93 GLN HN 93 GLN HG3 4.49
&rst
ixpk= 0, nxpk= 0, iat=1018,1026, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 91 ALA QB 93 GLN HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1026, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 998, 999,1000,
&end
#
# 86 HIS HA 97 VAL HB 4.12
&rst
ixpk= 0, nxpk= 0, iat= 919,1087, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 86 HIS HB2 97 VAL HB 3.51
&rst
ixpk= 0, nxpk= 0, iat= 921,1087, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 93 GLN HA 93 GLN HG3 4.15
&rst
ixpk= 0, nxpk= 0, iat=1020,1026, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 93 GLN HG2 94 PRO QD 4.76
&rst
ixpk= 0, nxpk= 0, iat=1025, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1036,1037,
&end
#
# 96 GLU HA 97 VAL HB 5.00
&rst
ixpk= 0, nxpk= 0, iat=1070,1087, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 40 PRO HB3 42 ASP HN 4.46
&rst
ixpk= 0, nxpk= 0, iat= 222, 247, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 40 PRO HB3 41 LEU QD1 5.29
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 237, 238, 239,
&end
#
# 88 LYS HB3 90 PHE HD 5.31
&rst
ixpk= 0, nxpk= 0, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 982, 990,
&end
#
# 85 VAL HA 88 LYS HB3 4.21
&rst
ixpk= 0, nxpk= 0, iat= 903, 946, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 88 LYS HB2 88 LYS QE 4.78
&rst
ixpk= 0, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 954, 955,
&end
#
# 88 LYS HB2 95 LEU QD2 4.83
&rst
ixpk= 0, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1062,1063,1064,
&end
#
# 34 LEU HN 71 GLU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 101, 703, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 PRO QB 58 MET HN 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 482, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 475, 476,
&end
#
# 39 PHE HN 43 VAL HB 4.94
&rst
ixpk= 0, nxpk= 0, iat= 194, 263, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 39 PHE HD 43 VAL HB 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 202, 210,
&end
#
# 85 VAL HB 86 HIS HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= 905, 917, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 51 ILE QG2 85 VAL HB 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 387, 388, 389,
&end
#
# 80 LYS HN 80 LYS QB 2.97
&rst
ixpk= 0, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2= 824, 825,
&end
#
# 80 LYS HA 80 LYS QB 2.98
&rst
ixpk= 0, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2= 824, 825,
&end
#
# 80 LYS QB 80 LYS QE 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 824, 825,
igr2= 833, 834,
&end
#
# 60 GLU HN 71 GLU HB2 4.99
&rst
ixpk= 0, nxpk= 0, iat= 521, 703, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 58 MET QG 61 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 489, 490,
igr2= 546, 547, 548,
&end
#
# 58 MET HN 58 MET QG 4.75
&rst
ixpk= 0, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 489, 490,
&end
#
# 58 MET QG 72 PHE HD 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 489, 490,
igr2= 722, 730,
&end
#
# 58 MET HA 58 MET QG 4.13
&rst
ixpk= 0, nxpk= 0, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 489, 490,
&end
#
# 58 MET QG 70 VAL QG1 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 489, 490,
igr2= 689, 690, 691,
&end
#
# 33 ARG HB2 34 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 114, 115, 116,
&end
#
# 33 ARG HB2 100 SER HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 81,1138, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 33 ARG HB2 99 TYR HD 5.03
&rst
ixpk= 0, nxpk= 0, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2=1123,1132,
&end
#
# 86 HIS HN 86 HIS HB3 3.67
&rst
ixpk= 0, nxpk= 0, iat= 917, 922, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 86 HIS HB2 96 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 921,1070, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 MET QG 59 LYS HN 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 499, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 489, 490,
&end
#
# 81 ALA QB 84 GLU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 846, 847, 848,
&end
#
# 84 GLU HB3 85 VAL QG1 4.30
&rst
ixpk= 0, nxpk= 0, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 907, 908, 909,
&end
#
# 84 GLU HB2 84 GLU HG2 2.75
&rst
ixpk= 0, nxpk= 0, iat= 890, 893, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, &end
#
# 55 PHE HZ 84 GLU HB2 3.85
&rst
ixpk= 0, nxpk= 0, iat= 453, 890, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 84 GLU HB2 85 VAL QG1 4.05
&rst
ixpk= 0, nxpk= 0, iat= 890, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 907, 908, 909,
&end
#
# 83 GLU HA 86 HIS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 873, 922, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 HIS HB2 97 VAL HN 4.93
&rst
ixpk= 0, nxpk= 0, iat= 921,1083, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 82 ILE HN 86 HIS HB2 5.48
&rst
ixpk= 0, nxpk= 0, iat= 852, 921, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 84 GLU HN 84 GLU HB3 3.78
&rst
ixpk= 0, nxpk= 0, iat= 886, 891, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 55 PHE HD 84 GLU HB3 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 449, 457,
&end
#
# 55 PHE HZ 84 GLU HB3 3.94
&rst
ixpk= 0, nxpk= 0, iat= 453, 891, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 84 GLU HB2 85 VAL HN 3.52
&rst
ixpk= 0, nxpk= 0, iat= 890, 901, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 94 PRO HB2 95 LEU HN 4.43
&rst
ixpk= 0, nxpk= 0, iat=1042,1049, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 87 GLY HA2 94 PRO HB2 4.42
&rst
ixpk= 0, nxpk= 0, iat= 936,1042, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 87 GLY HN 94 PRO HB2 5.33
&rst
ixpk= 0, nxpk= 0, iat= 934,1042, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 37 ARG HB2 67 PHE HD 5.39
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 641, 649,
&end
#
# 37 ARG HB2 67 PHE HA 4.69
&rst
ixpk= 0, nxpk= 0, iat= 160, 635, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 37 ARG HN 96 GLU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 156,1072, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 GLU HN 73 GLU HB3 4.18
&rst
ixpk= 0, nxpk= 0, iat= 734, 739, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 82 ILE HA 83 GLU QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 854, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 875, 876,
&end
#
# 50 GLU HN 50 GLU HB3 3.56
&rst
ixpk= 0, nxpk= 0, iat= 366, 371, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 50 GLU HB3 51 ILE HN 4.07
&rst
ixpk= 0, nxpk= 0, iat= 371, 381, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 50 GLU HB3 51 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= 371, 391, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 ASN HN 50 GLU HB2 4.66
&rst
ixpk= 0, nxpk= 0, iat= 352, 370, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 50 GLU HN 50 GLU HB2 3.47
&rst
ixpk= 0, nxpk= 0, iat= 366, 370, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 50 GLU HB3 51 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 394, 395, 396,
&end
#
# 43 VAL QG2 47 GLU HB2 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 322, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 269, 270, 271,
&end
#
# 47 GLU HB2 48 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 346, 347, 348,
&end
#
# 82 ILE HN 82 ILE HG13 3.76
&rst
ixpk= 0, nxpk= 0, iat= 852, 863, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 82 ILE HG13 83 GLU HN 4.93
&rst
ixpk= 0, nxpk= 0, iat= 863, 871, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 79 ALA HA 82 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= 812, 863, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 PHE HE 48 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 204, 208,
&end
#
# 44 GLN HN 48 LEU HG 5.23
&rst
ixpk= 0, nxpk= 0, iat= 275, 340, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 48 LEU HG 52 PHE HD 5.36
&rst
ixpk= 0, nxpk= 0, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 408, 416,
&end
#
# 48 LEU HN 48 LEU HG 3.93
&rst
ixpk= 0, nxpk= 0, iat= 333, 340, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 47 GLU HB3 48 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 323, 340, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 LEU HG 63 ILE QD1 4.85
&rst
ixpk= 0, nxpk= 0, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 587, 588, 589,
&end
#
# 47 GLU HB2 48 LEU QD1 4.91
&rst
ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 342, 343, 344,
&end
#
# 45 GLU HB3 63 ILE QD1 4.41
&rst
ixpk= 0, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 587, 588, 589,
&end
#
# 44 GLN HN 47 GLU HB2 4.60
&rst
ixpk= 0, nxpk= 0, iat= 275, 322, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 47 GLU HB2 48 LEU HG 4.74
&rst
ixpk= 0, nxpk= 0, iat= 322, 340, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 45 GLU HB2 61 VAL QG1 5.24
&rst
ixpk= 0, nxpk= 0, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 542, 543, 544,
&end
#
# 45 GLU HB2 63 ILE QD1 4.79
&rst
ixpk= 0, nxpk= 0, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 587, 588, 589,
&end
#
# 59 LYS HN 59 LYS HD3 5.43
&rst
ixpk= 0, nxpk= 0, iat= 499, 510, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 59 LYS HD3 72 PHE HA 4.62
&rst
ixpk= 0, nxpk= 0, iat= 510, 716, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 33 ARG QG 69 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 84, 85,
igr2= 671, 679,
&end
#
# 33 ARG QG 100 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1136, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 84, 85,
&end
#
# 33 ARG QG 72 PHE HN 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 84, 85,
&end
#
# 59 LYS HD2 60 GLU HN 5.48
&rst
ixpk= 0, nxpk= 0, iat= 509, 521, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 59 LYS HA 59 LYS HD2 5.29
&rst
ixpk= 0, nxpk= 0, iat= 501, 509, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 59 LYS HD2 73 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 509, 736, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 ILE HG13 97 VAL HB 5.03
&rst
ixpk= 0, nxpk= 0, iat= 863,1087, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 82 ILE HG12 83 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 862, 871, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 ILE HG12 97 VAL HB 5.21
&rst
ixpk= 0, nxpk= 0, iat= 862,1087, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 55 PHE HD 80 LYS QD 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 449, 457,
igr2= 830, 831,
&end
#
# 77 SER HA 80 LYS QD 3.56
&rst
ixpk= 0, nxpk= 0, iat= 791, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 830, 831,
&end
#
# 87 GLY HN 88 LYS QD 4.48
&rst
ixpk= 0, nxpk= 0, iat= 934, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 951, 952,
&end
#
# 33 ARG QG 34 LEU HN 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 101, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 84, 85,
&end
#
# 33 ARG HN 33 ARG QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 84, 85,
&end
#
# 33 ARG QG 71 GLU HA 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 84, 85,
&end
#
# 33 ARG QG 100 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 84, 85,
&end
#
# 80 LYS QG 80 LYS QD 2.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr1= 827, 828,
igr2= 830, 831,
&end
#
# 45 GLU HA 63 ILE QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 584, 585,
&end
#
# 63 ILE QG1 64 LEU HN 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 584, 585,
&end
#
# 63 ILE QG1 68 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 584, 585,
&end
#
# 57 PRO HG3 58 MET HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 473, 482, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 PRO HG2 73 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 472, 734, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 PHE HA 54 PRO QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 431, 432,
&end
#
# 64 LEU HN 64 LEU HG 4.47
&rst
ixpk= 0, nxpk= 0, iat= 593, 600, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 64 LEU HG 65 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 600, 612, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 LEU HG 69 PHE HZ 5.34
&rst
ixpk= 0, nxpk= 0, iat= 600, 675, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 64 LEU HA 64 LEU HG 3.80
&rst
ixpk= 0, nxpk= 0, iat= 595, 600, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 63 ILE HN 64 LEU HG 5.48
&rst
ixpk= 0, nxpk= 0, iat= 574, 600, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 63 ILE HA 64 LEU HG 5.02
&rst
ixpk= 0, nxpk= 0, iat= 576, 600, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 41 LEU HA 41 LEU HG 3.99
&rst
ixpk= 0, nxpk= 0, iat= 230, 235, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 29 LEU HB2 29 LEU HG 2.93
&rst
ixpk= 0, nxpk= 0, iat= 23, 26, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 95 LEU HA 95 LEU HG 4.27
&rst
ixpk= 0, nxpk= 0, iat=1051,1056, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 90 PHE HB3 95 LEU HG 4.45
&rst
ixpk= 0, nxpk= 0, iat= 979,1056, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 90 PHE HB2 95 LEU HG 4.49
&rst
ixpk= 0, nxpk= 0, iat= 978,1056, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 34 LEU HG 35 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 108, 120, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 LEU HG 70 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 108, 683, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 LEU HG 31 ASN HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= 26, 49, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 90 PHE HD 95 LEU HG 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 982, 990,
&end
#
# 95 LEU HG 96 GLU HN 5.10
&rst
ixpk= 0, nxpk= 0, iat=1056,1068, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 90 PHE HN 95 LEU HG 5.02
&rst
ixpk= 0, nxpk= 0, iat= 974,1056, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 95 LEU HN 95 LEU HG 4.01
&rst
ixpk= 0, nxpk= 0, iat=1049,1056, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 34 LEU HN 34 LEU QD2 4.71
&rst
ixpk= 0, nxpk= 0, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 114, 115, 116,
&end
#
# 34 LEU QD2 35 PHE HN 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 120, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 114, 115, 116,
&end
#
# 34 LEU QD2 70 VAL HN 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 683, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 114, 115, 116,
&end
#
# 34 LEU QD2 55 PHE HD 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 114, 115, 116,
igr2= 449, 457,
&end
#
# 34 LEU QD2 72 PHE HD 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 114, 115, 116,
igr2= 722, 730,
&end
#
# 85 VAL HA 88 LYS HG2 4.20
&rst
ixpk= 0, nxpk= 0, iat= 903, 948, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 64 LEU HN 64 LEU QD1 4.37
&rst
ixpk= 0, nxpk= 0, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 602, 603, 604,
&end
#
# 64 LEU QD1 69 PHE HE 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 602, 603, 604,
igr2= 673, 677,
&end
#
# 64 LEU QD1 67 PHE HD 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 602, 603, 604,
igr2= 641, 649,
&end
#
# 64 LEU QD1 67 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 638, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 602, 603, 604,
&end
#
# 62 LYS HE3 64 LEU QD1 4.24
&rst
ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 602, 603, 604,
&end
#
# 29 LEU QD2 99 TYR HD 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 32, 33, 34,
igr2=1123,1132,
&end
#
# 29 LEU QD2 99 TYR HB3 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 32, 33, 34,
&end
#
# 29 LEU QD2 99 TYR HB2 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 32, 33, 34,
&end
#
# 90 PHE HN 95 LEU QD2 5.35
&rst
ixpk= 0, nxpk= 0, iat= 974, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2=1062,1063,1064,
&end
#
# 85 VAL HA 95 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1062,1063,1064,
&end
#
# 90 PHE HB3 95 LEU QD2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1062,1063,1064,
&end
#
# 90 PHE HB2 95 LEU QD2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1062,1063,1064,
&end
#
# 88 LYS HB3 95 LEU QD2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1062,1063,1064,
&end
#
# 36 VAL QG2 95 LEU QD2 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 150, 151, 152,
igr2=1062,1063,1064,
&end
#
# 55 PHE HD 80 LYS QG 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 449, 457,
igr2= 827, 828,
&end
#
# 88 LYS HG3 88 LYS QE 4.11
&rst
ixpk= 0, nxpk= 0, iat= 949, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 954, 955,
&end
#
# 95 LEU QD2 96 GLU HN 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1068, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1062,1063,1064,
&end
#
# 95 LEU HN 95 LEU QD2 4.44
&rst
ixpk= 0, nxpk= 0, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1062,1063,1064,
&end
#
# 88 LYS HN 95 LEU QD2 5.17
&rst
ixpk= 0, nxpk= 0, iat= 941, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1062,1063,1064,
&end
#
# 90 PHE HD 95 LEU QD2 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 982, 990,
igr2=1062,1063,1064,
&end
#
# 95 LEU HA 95 LEU QD2 4.35
&rst
ixpk= 0, nxpk= 0, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1062,1063,1064,
&end
#
# 38 PRO QG 95 LEU QD2 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 184, 185,
igr2=1062,1063,1064,
&end
#
# 48 LEU QD2 69 PHE HN 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 346, 347, 348,
&end
#
# 44 GLN HN 48 LEU QD2 4.85
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 346, 347, 348,
&end
#
# 48 LEU QD2 52 PHE HD 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1= 346, 347, 348,
igr2= 408, 416,
&end
#
# 48 LEU HN 48 LEU QD2 4.03
&rst
ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 346, 347, 348,
&end
#
# 39 PHE HE 48 LEU QD2 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 204, 208,
igr2= 346, 347, 348,
&end
#
# 48 LEU HA 48 LEU QD2 4.28
&rst
ixpk= 0, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 346, 347, 348,
&end
#
# 47 GLU HB3 48 LEU QD2 4.66
&rst
ixpk= 0, nxpk= 0, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 346, 347, 348,
&end
#
# 48 LEU HB3 48 LEU QD2 4.13
&rst
ixpk= 0, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 346, 347, 348,
&end
#
# 48 LEU HB2 48 LEU QD2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 346, 347, 348,
&end
#
# 48 LEU QD2 68 ALA QB 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 346, 347, 348,
igr2= 657, 658, 659,
&end
#
# 43 VAL QG2 48 LEU QD2 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 269, 270, 271,
igr2= 346, 347, 348,
&end
#
# 48 LEU QD2 63 ILE QD1 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 346, 347, 348,
igr2= 587, 588, 589,
&end
#
# 37 ARG HG3 38 PRO QD 5.28
&rst
ixpk= 0, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 181, 182,
&end
#
# 36 VAL HA 37 ARG HG3 5.40
&rst
ixpk= 0, nxpk= 0, iat= 142, 164, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 62 LYS HN 62 LYS HG3 5.24
&rst
ixpk= 0, nxpk= 0, iat= 552, 560, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 62 LYS HG3 69 PHE HD 5.46
&rst
ixpk= 0, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr2= 671, 679,
&end
#
# 59 LYS HN 59 LYS HG3 4.77
&rst
ixpk= 0, nxpk= 0, iat= 499, 507, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 59 LYS HG3 60 GLU HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= 507, 521, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 59 LYS HA 59 LYS HG3 4.03
&rst
ixpk= 0, nxpk= 0, iat= 501, 507, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 35 PHE HD 37 ARG HG2 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 163, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 128, 136,
&end
#
# 59 LYS HG2 59 LYS QE 3.86
&rst
ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2= 512, 513,
&end
#
# 59 LYS HG2 73 GLU HB3 5.16
&rst
ixpk= 0, nxpk= 0, iat= 506, 739, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 59 LYS HN 59 LYS HG2 4.87
&rst
ixpk= 0, nxpk= 0, iat= 499, 506, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 59 LYS HG2 60 GLU HN 5.03
&rst
ixpk= 0, nxpk= 0, iat= 506, 521, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 59 LYS HA 59 LYS HG2 4.12
&rst
ixpk= 0, nxpk= 0, iat= 501, 506, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 68 ALA QB 69 PHE HN 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 657, 658, 659,
&end
#
# 64 LEU HN 68 ALA QB 4.46
&rst
ixpk= 0, nxpk= 0, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 657, 658, 659,
&end
#
# 39 PHE HD 68 ALA QB 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 202, 210,
igr2= 657, 658, 659,
&end
#
# 39 PHE HE 68 ALA QB 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 204, 208,
igr2= 657, 658, 659,
&end
#
# 48 LEU QD1 68 ALA QB 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 342, 343, 344,
igr2= 657, 658, 659,
&end
#
# 35 PHE HD 37 ARG HG3 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 128, 136,
&end
#
# 37 ARG HG3 38 PRO HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 164, 190, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 ARG HG2 38 PRO QD 5.21
&rst
ixpk= 0, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 181, 182,
&end
#
# 35 PHE HN 97 VAL QG1 5.21
&rst
ixpk= 0, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=1089,1090,1091,
&end
#
# 82 ILE HN 97 VAL QG1 4.63
&rst
ixpk= 0, nxpk= 0, iat= 852, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1089,1090,1091,
&end
#
# 86 HIS HN 97 VAL QG1 4.84
&rst
ixpk= 0, nxpk= 0, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1089,1090,1091,
&end
#
# 34 LEU HA 97 VAL QG1 4.53
&rst
ixpk= 0, nxpk= 0, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1089,1090,1091,
&end
#
# 82 ILE HA 97 VAL QG1 3.64
&rst
ixpk= 0, nxpk= 0, iat= 854, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1089,1090,1091,
&end
#
# 82 ILE HG13 97 VAL QG1 4.34
&rst
ixpk= 0, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1089,1090,1091,
&end
#
# 82 ILE HG12 97 VAL QG1 3.56
&rst
ixpk= 0, nxpk= 0, iat= 862, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1089,1090,1091,
&end
#
# 34 LEU QD1 82 ILE HA 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 854, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 110, 111, 112,
&end
#
# 34 LEU QD1 72 PHE HB2 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 718, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 110, 111, 112,
&end
#
# 52 PHE HZ 97 VAL QG1 4.67
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1089,1090,1091,
&end
#
# 34 LEU QD1 55 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 110, 111, 112,
igr2= 449, 457,
&end
#
# 34 LEU HN 34 LEU QD1 4.87
&rst
ixpk= 0, nxpk= 0, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 110, 111, 112,
&end
#
# 34 LEU QD1 35 PHE HN 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 120, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 110, 111, 112,
&end
#
# 34 LEU QD1 100 SER HN 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1136, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 110, 111, 112,
&end
#
# 34 LEU QD1 98 VAL HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 110, 111, 112,
&end
#
# 34 LEU QD1 82 ILE HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 852, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 110, 111, 112,
&end
#
# 34 LEU QD1 72 PHE HD 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 110, 111, 112,
igr2= 722, 730,
&end
#
# 34 LEU QD1 78 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 110, 111, 112,
&end
#
# 38 PRO QG 95 LEU HA 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 184, 185,
&end
#
# 38 PRO QG 93 GLN HG3 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1026, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 184, 185,
&end
#
# 85 VAL HN 85 VAL QG1 3.56
&rst
ixpk= 0, nxpk= 0, iat= 901, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 907, 908, 909,
&end
#
# 85 VAL QG1 86 HIS HN 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 907, 908, 909,
&end
#
# 52 PHE HA 85 VAL QG1 5.40
&rst
ixpk= 0, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 907, 908, 909,
&end
#
# 85 VAL HA 85 VAL QG1 3.43
&rst
ixpk= 0, nxpk= 0, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 907, 908, 909,
&end
#
# 38 PRO QG 39 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 184, 185,
&end
#
# 38 PRO QG 95 LEU QD1 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1= 184, 185,
igr2=1058,1059,1060,
&end
#
# 36 VAL QG2 96 GLU HN 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1068, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 150, 151, 152,
&end
#
# 35 PHE HN 36 VAL QG2 5.16
&rst
ixpk= 0, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 150, 151, 152,
&end
#
# 36 VAL HN 36 VAL QG2 4.62
&rst
ixpk= 0, nxpk= 0, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 150, 151, 152,
&end
#
# 36 VAL QG2 37 ARG HN 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 156, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 150, 151, 152,
&end
#
# 36 VAL QG2 98 VAL HN 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 150, 151, 152,
&end
#
# 36 VAL QG2 97 VAL HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1085, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 150, 151, 152,
&end
#
# 36 VAL QG2 95 LEU HA 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 150, 151, 152,
&end
#
# 36 VAL QG2 70 VAL HB 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 150, 151, 152,
&end
#
# 36 VAL QG2 95 LEU QD1 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 150, 151, 152,
igr2=1058,1059,1060,
&end
#
# 36 VAL QG2 70 VAL QG1 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 150, 151, 152,
igr2= 689, 690, 691,
&end
#
# 37 ARG HN 95 LEU QD1 5.06
&rst
ixpk= 0, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1058,1059,1060,
&end
#
# 39 PHE HE 95 LEU QD1 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 204, 208,
igr2=1058,1059,1060,
&end
#
# 95 LEU QD1 96 GLU HN 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1068, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1058,1059,1060,
&end
#
# 95 LEU HN 95 LEU QD1 4.39
&rst
ixpk= 0, nxpk= 0, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1058,1059,1060,
&end
#
# 90 PHE HD 95 LEU QD1 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 982, 990,
igr2=1058,1059,1060,
&end
#
# 39 PHE HD 95 LEU QD1 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 202, 210,
igr2=1058,1059,1060,
&end
#
# 95 LEU HA 95 LEU QD1 3.40
&rst
ixpk= 0, nxpk= 0, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=1058,1059,1060,
&end
#
# 38 PRO QD 95 LEU QD1 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 181, 182,
igr2=1058,1059,1060,
&end
#
# 90 PHE HB3 95 LEU QD1 3.84
&rst
ixpk= 0, nxpk= 0, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1058,1059,1060,
&end
#
# 90 PHE HB2 95 LEU QD1 4.05
&rst
ixpk= 0, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1058,1059,1060,
&end
#
# 91 ALA QB 95 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 998, 999,1000,
igr2=1058,1059,1060,
&end
#
# 95 LEU HB2 95 LEU QD1 3.75
&rst
ixpk= 0, nxpk= 0, iat=1053, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1058,1059,1060,
&end
#
# 41 LEU QD1 66 GLY HN 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 626, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 237, 238, 239,
&end
#
# 41 LEU QD1 65 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 237, 238, 239,
&end
#
# 32 THR QG2 75 ALA HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 764, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 69, 70, 71,
&end
#
# 32 THR QG2 72 PHE HN 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 69, 70, 71,
&end
#
# 32 THR HN 32 THR QG2 4.82
&rst
ixpk= 0, nxpk= 0, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 69, 70, 71,
&end
#
# 32 THR QG2 72 PHE HD 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 69, 70, 71,
igr2= 722, 730,
&end
#
# 31 ASN HB3 32 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 54, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 69, 70, 71,
&end
#
# 32 THR QG2 72 PHE HB2 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 718, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 69, 70, 71,
&end
#
# 32 THR QG2 78 ALA QB 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 69, 70, 71,
igr2= 804, 805, 806,
&end
#
# 32 THR QG2 75 ALA QB 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 69, 70, 71,
igr2= 768, 769, 770,
&end
#
# 41 LEU HA 41 LEU QD1 3.12
&rst
ixpk= 0, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 237, 238, 239,
&end
#
# 43 VAL QG2 44 GLN HN 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 269, 270, 271,
&end
#
# 39 PHE HD 43 VAL QG2 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 202, 210,
igr2= 269, 270, 271,
&end
#
# 43 VAL QG2 47 GLU HB3 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 269, 270, 271,
&end
#
# 61 VAL HA 61 VAL QG2 3.57
&rst
ixpk= 0, nxpk= 0, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 546, 547, 548,
&end
#
# 61 VAL QG2 70 VAL QG2 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 546, 547, 548,
igr2= 693, 694, 695,
&end
#
# 61 VAL QG2 70 VAL QG1 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 546, 547, 548,
igr2= 689, 690, 691,
&end
#
# 61 VAL HN 61 VAL QG2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 546, 547, 548,
&end
#
# 61 VAL QG1 62 LYS HN 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 542, 543, 544,
&end
#
# 61 VAL QG1 63 ILE HN 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 542, 543, 544,
&end
#
# 61 VAL HN 61 VAL QG1 4.59
&rst
ixpk= 0, nxpk= 0, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 542, 543, 544,
&end
#
# 48 LEU HN 48 LEU QD1 4.86
&rst
ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 342, 343, 344,
&end
#
# 61 VAL HA 61 VAL QG1 3.59
&rst
ixpk= 0, nxpk= 0, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 542, 543, 544,
&end
#
# 61 VAL QG1 70 VAL HA 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 542, 543, 544,
&end
#
# 45 GLU QG 61 VAL QG1 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 299, 300,
igr2= 542, 543, 544,
&end
#
# 48 LEU HB3 48 LEU QD1 3.97
&rst
ixpk= 0, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 342, 343, 344,
&end
#
# 48 LEU HB2 48 LEU QD1 3.95
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 342, 343, 344,
&end
#
# 97 VAL HN 98 VAL QG2 4.66
&rst
ixpk= 0, nxpk= 0, iat=1083, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1109,1110,1111,
&end
#
# 98 VAL QG2 99 TYR HN 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1109,1110,1111,
&end
#
# 97 VAL HB 98 VAL QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat=1087, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1109,1110,1111,
&end
#
# 96 GLU HG2 98 VAL QG2 4.93
&rst
ixpk= 0, nxpk= 0, iat=1075, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=1109,1110,1111,
&end
#
# 82 ILE HG13 98 VAL QG2 3.67
&rst
ixpk= 0, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1109,1110,1111,
&end
#
# 82 ILE QG2 98 VAL QG2 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 858, 859, 860,
igr2=1109,1110,1111,
&end
#
# 82 ILE QD1 98 VAL QG2 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 865, 866, 867,
igr2=1109,1110,1111,
&end
#
# 82 ILE HN 97 VAL QG2 5.46
&rst
ixpk= 0, nxpk= 0, iat= 852, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2=1093,1094,1095,
&end
#
# 85 VAL HN 85 VAL QG2 4.66
&rst
ixpk= 0, nxpk= 0, iat= 901, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 911, 912, 913,
&end
#
# 34 LEU HA 97 VAL QG2 4.60
&rst
ixpk= 0, nxpk= 0, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1093,1094,1095,
&end
#
# 95 LEU HA 97 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1093,1094,1095,
&end
#
# 86 HIS HA 97 VAL QG2 3.66
&rst
ixpk= 0, nxpk= 0, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1093,1094,1095,
&end
#
# 34 LEU HB2 97 VAL QG2 3.74
&rst
ixpk= 0, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1093,1094,1095,
&end
#
# 97 VAL HN 97 VAL QG2 4.12
&rst
ixpk= 0, nxpk= 0, iat=1083, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1093,1094,1095,
&end
#
# 96 GLU HN 97 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1068, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1093,1094,1095,
&end
#
# 87 GLY HN 97 VAL QG2 4.65
&rst
ixpk= 0, nxpk= 0, iat= 934, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1093,1094,1095,
&end
#
# 97 VAL QG2 98 VAL HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1093,1094,1095,
&end
#
# 85 VAL QG2 86 HIS HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 911, 912, 913,
&end
#
# 55 PHE HZ 85 VAL QG2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 911, 912, 913,
&end
#
# 86 HIS HB2 97 VAL QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1093,1094,1095,
&end
#
# 95 LEU QD1 97 VAL QG2 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1058,1059,1060,
igr2=1093,1094,1095,
&end
#
# 51 ILE QG2 85 VAL QG2 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1= 387, 388, 389,
igr2= 911, 912, 913,
&end
#
# 34 LEU HN 70 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 689, 690, 691,
&end
#
# 52 PHE HN 70 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 689, 690, 691,
&end
#
# 61 VAL HA 70 VAL QG1 4.48
&rst
ixpk= 0, nxpk= 0, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 689, 690, 691,
&end
#
# 70 VAL QG1 71 GLU HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 689, 690, 691,
&end
#
# 70 VAL HN 70 VAL QG1 4.57
&rst
ixpk= 0, nxpk= 0, iat= 683, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 689, 690, 691,
&end
#
# 52 PHE HD 70 VAL QG1 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 408, 416,
igr2= 689, 690, 691,
&end
#
# 48 LEU QD2 70 VAL QG1 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 346, 347, 348,
igr2= 689, 690, 691,
&end
#
# 70 VAL QG1 71 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 689, 690, 691,
&end
#
# 52 PHE HB3 70 VAL QG1 4.32
&rst
ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 689, 690, 691,
&end
#
# 39 PHE HN 43 VAL QG1 4.94
&rst
ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 265, 266, 267,
&end
#
# 39 PHE HD 43 VAL QG1 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 202, 210,
igr2= 265, 266, 267,
&end
#
# 43 VAL QG1 66 GLY HA3 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1= 265, 266, 267,
&end
#
# 39 PHE HB3 43 VAL QG1 5.04
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 265, 266, 267,
&end
#
# 42 ASP HB2 43 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 265, 266, 267,
&end
#
# 43 VAL QG1 47 GLU HB3 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 265, 266, 267,
&end
#
# 43 VAL QG1 48 LEU QD2 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 265, 266, 267,
igr2= 346, 347, 348,
&end
#
# 34 LEU HN 70 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 693, 694, 695,
&end
#
# 52 PHE HD 70 VAL QG2 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 408, 416,
igr2= 693, 694, 695,
&end
#
# 52 PHE HZ 70 VAL QG2 4.61
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 693, 694, 695,
&end
#
# 34 LEU HA 70 VAL QG2 5.28
&rst
ixpk= 0, nxpk= 0, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 693, 694, 695,
&end
#
# 52 PHE HB3 70 VAL QG2 5.35
&rst
ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2= 693, 694, 695,
&end
#
# 61 VAL HB 70 VAL QG2 4.76
&rst
ixpk= 0, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 693, 694, 695,
&end
#
# 35 PHE HN 98 VAL QG1 4.32
&rst
ixpk= 0, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1105,1106,1107,
&end
#
# 98 VAL QG1 99 TYR HN 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1=1105,1106,1107,
&end
#
# 34 LEU HA 98 VAL QG1 4.53
&rst
ixpk= 0, nxpk= 0, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1105,1106,1107,
&end
#
# 35 PHE HB2 98 VAL QG1 3.73
&rst
ixpk= 0, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1105,1106,1107,
&end
#
# 75 ALA QB 77 SER HN 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 789, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 768, 769, 770,
&end
#
# 81 ALA QB 85 VAL HN 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 846, 847, 848,
&end
#
# 81 ALA HN 81 ALA QB 3.22
&rst
ixpk= 0, nxpk= 0, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 846, 847, 848,
&end
#
# 52 PHE HD 81 ALA QB 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 408, 416,
igr2= 846, 847, 848,
&end
#
# 55 PHE HD 81 ALA QB 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 449, 457,
igr2= 846, 847, 848,
&end
#
# 52 PHE HA 81 ALA QB 5.08
&rst
ixpk= 0, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 846, 847, 848,
&end
#
# 82 ILE QG2 86 HIS HB2 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 858, 859, 860,
&end
#
# 81 ALA QB 84 GLU HB2 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 890, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 846, 847, 848,
&end
#
# 34 LEU QD2 81 ALA QB 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 114, 115, 116,
igr2= 846, 847, 848,
&end
#
# 34 LEU QD1 81 ALA QB 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1= 110, 111, 112,
igr2= 846, 847, 848,
&end
#
# 75 ALA QB 76 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 768, 769, 770,
&end
#
# 75 ALA QB 79 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 768, 769, 770,
&end
#
# 75 ALA QB 78 ALA HN 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 768, 769, 770,
&end
#
# 75 ALA QB 76 GLU HG2 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 781, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 768, 769, 770,
&end
#
# 77 SER HB2 78 ALA QB 5.29
&rst
ixpk= 0, nxpk= 0, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 804, 805, 806,
&end
#
# 34 LEU HN 78 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 804, 805, 806,
&end
#
# 72 PHE HN 78 ALA QB 4.83
&rst
ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 804, 805, 806,
&end
#
# 78 ALA QB 80 LYS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 804, 805, 806,
&end
#
# 72 PHE HD 78 ALA QB 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 722, 730,
igr2= 804, 805, 806,
&end
#
# 78 ALA HN 78 ALA QB 3.54
&rst
ixpk= 0, nxpk= 0, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 804, 805, 806,
&end
#
# 78 ALA QB 99 TYR HE 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 804, 805, 806,
igr2=1125,1130,
&end
#
# 78 ALA QB 79 ALA HA 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 804, 805, 806,
&end
#
# 34 LEU QD1 78 ALA QB 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 110, 111, 112,
igr2= 804, 805, 806,
&end
#
# 79 ALA HN 79 ALA QB 3.23
&rst
ixpk= 0, nxpk= 0, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 814, 815, 816,
&end
#
# 79 ALA QB 80 LYS HN 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 814, 815, 816,
&end
#
# 79 ALA QB 83 GLU HN 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 871, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 814, 815, 816,
&end
#
# 78 ALA HN 79 ALA QB 4.80
&rst
ixpk= 0, nxpk= 0, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 814, 815, 816,
&end
#
# 79 ALA QB 99 TYR HE 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1= 814, 815, 816,
igr2=1125,1130,
&end
#
# 79 ALA QB 80 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 814, 815, 816,
igr2= 833, 834,
&end
#
# 63 ILE HN 63 ILE QG2 4.23
&rst
ixpk= 0, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 580, 581, 582,
&end
#
# 63 ILE QG2 64 LEU HN 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 580, 581, 582,
&end
#
# 63 ILE QG2 68 ALA HA 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 580, 581, 582,
&end
#
# 63 ILE QG2 63 ILE QD1 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 580, 581, 582,
igr2= 587, 588, 589,
&end
#
# 63 ILE HA 63 ILE QG2 3.39
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 580, 581, 582,
&end
#
# 82 ILE QD1 98 VAL HB 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1103, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 865, 866, 867,
&end
#
# 82 ILE QD1 83 GLU HG2 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 865, 866, 867,
&end
#
# 82 ILE HB 82 ILE QD1 3.32
&rst
ixpk= 0, nxpk= 0, iat= 856, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 865, 866, 867,
&end
#
# 51 ILE QG2 52 PHE HD 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 387, 388, 389,
igr2= 408, 416,
&end
#
# 51 ILE QG2 55 PHE HD 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 387, 388, 389,
igr2= 449, 457,
&end
#
# 51 ILE HN 51 ILE QG2 3.87
&rst
ixpk= 0, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 387, 388, 389,
&end
#
# 48 LEU HA 51 ILE QG2 4.81
&rst
ixpk= 0, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 387, 388, 389,
&end
#
# 51 ILE QG2 52 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 387, 388, 389,
&end
#
# 51 ILE QG2 51 ILE HG13 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 387, 388, 389,
&end
#
# 51 ILE QG2 85 VAL QG1 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 387, 388, 389,
igr2= 907, 908, 909,
&end
#
# 58 MET HN 58 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 493, 494, 495,
&end
#
# 58 MET QE 59 LYS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 499, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 493, 494, 495,
&end
#
# 52 PHE HN 58 MET QE 4.82
&rst
ixpk= 0, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 493, 494, 495,
&end
#
# 49 ASN HND1 58 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 493, 494, 495,
&end
#
# 52 PHE HA 58 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 493, 494, 495,
&end
#
# 52 PHE HB3 58 MET QE 4.14
&rst
ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 493, 494, 495,
&end
#
# 48 LEU QD1 58 MET QE 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1= 342, 343, 344,
igr2= 493, 494, 495,
&end
#
# 82 ILE HN 82 ILE QD1 4.02
&rst
ixpk= 0, nxpk= 0, iat= 852, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 865, 866, 867,
&end
#
# 82 ILE QD1 83 GLU HN 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 871, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 865, 866, 867,
&end
#
# 49 ASN HN 58 MET QE 5.14
&rst
ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 493, 494, 495,
&end
#
# 53 GLY HN 58 MET QE 4.16
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 493, 494, 495,
&end
#
# 50 GLU HN 58 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 493, 494, 495,
&end
#
# 52 PHE HD 58 MET QE 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 408, 416,
igr2= 493, 494, 495,
&end
#
# 55 PHE HD 58 MET QE 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 449, 457,
igr2= 493, 494, 495,
&end
#
# 51 ILE HN 58 MET QE 5.10
&rst
ixpk= 0, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 493, 494, 495,
&end
#
# 58 MET HA 58 MET QE 4.28
&rst
ixpk= 0, nxpk= 0, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 493, 494, 495,
&end
#
# 49 ASN HA 58 MET QE 3.27
&rst
ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 493, 494, 495,
&end
#
# 48 LEU HA 58 MET QE 5.42
&rst
ixpk= 0, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 493, 494, 495,
&end
#
# 52 PHE HB2 58 MET QE 3.84
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 493, 494, 495,
&end
#
# 58 MET QE 61 VAL QG2 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 493, 494, 495,
igr2= 546, 547, 548,
&end
#
# 58 MET QE 70 VAL QG1 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 493, 494, 495,
igr2= 689, 690, 691,
&end
#
# 38 PRO QD 91 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 181, 182,
igr2= 998, 999,1000,
&end
#
# 90 PHE HN 91 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 974, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 998, 999,1000,
&end
#
# 90 PHE HD 91 ALA QB 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 982, 990,
igr2= 998, 999,1000,
&end
#
# 91 ALA QB 93 GLN HG2 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 998, 999,1000,
&end
#
# 91 ALA QB 95 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 998, 999,1000,
igr2=1062,1063,1064,
&end
#
# 91 ALA QB 93 GLN HN 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 998, 999,1000,
&end
#
# 39 PHE HA 91 ALA QB 4.90
&rst
ixpk= 0, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 998, 999,1000,
&end
#
# 91 ALA QB 92 ASN HB3 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 998, 999,1000,
&end
#
# 90 PHE HB3 91 ALA QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2= 998, 999,1000,
&end
#
# 38 PRO HB3 91 ALA QB 4.38
&rst
ixpk= 0, nxpk= 0, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 998, 999,1000,
&end
#
# 63 ILE HN 63 ILE QD1 4.27
&rst
ixpk= 0, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 587, 588, 589,
&end
#
# 49 ASN HN 63 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 587, 588, 589,
&end
#
# 48 LEU HN 63 ILE QD1 5.16
&rst
ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 587, 588, 589,
&end
#
# 63 ILE HA 63 ILE QD1 4.25
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 587, 588, 589,
&end
#
# 63 ILE HB 63 ILE QD1 3.33
&rst
ixpk= 0, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 587, 588, 589,
&end
#
# 61 VAL QG1 63 ILE QD1 3.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 542, 543, 544,
igr2= 587, 588, 589,
&end
#
# 51 ILE QD1 90 PHE HD 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 394, 395, 396,
igr2= 982, 990,
&end
#
# 51 ILE HN 51 ILE QD1 3.89
&rst
ixpk= 0, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 394, 395, 396,
&end
#
# 39 PHE HD 51 ILE QD1 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 202, 210,
igr2= 394, 395, 396,
&end
#
# 39 PHE HE 51 ILE QD1 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 204, 208,
igr2= 394, 395, 396,
&end
#
# 51 ILE QD1 90 PHE HB2 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 394, 395, 396,
&end
#
# 47 GLU HB3 51 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 394, 395, 396,
&end
#
# 51 ILE QD1 95 LEU QD1 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 394, 395, 396,
igr2=1058,1059,1060,
&end
#
# 51 ILE QG2 51 ILE QD1 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 387, 388, 389,
igr2= 394, 395, 396,
&end
#
# 51 ILE QD1 52 PHE HN 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 394, 395, 396,
&end
#
# 47 GLU HA 51 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 394, 395, 396,
&end
#
# 86 HIS HE1 96 GLU HB3 5.27
&rst
ixpk= 0, nxpk= 0, iat= 927,1073, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 86 HIS HE1 96 GLU HA 4.11
&rst
ixpk= 0, nxpk= 0, iat= 927,1070, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 86 HIS HA 86 HIS HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 919, 927, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 HIS HE1 96 GLU HG3 4.75
&rst
ixpk= 0, nxpk= 0, iat= 927,1076, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 86 HIS HE1 96 GLU HG2 4.76
&rst
ixpk= 0, nxpk= 0, iat= 927,1075, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 82 ILE QG2 86 HIS HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 927, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 858, 859, 860,
&end
#
# 86 HIS HE1 98 VAL QG2 5.25
&rst
ixpk= 0, nxpk= 0, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1109,1110,1111,
&end
#
# 55 PHE HE 84 GLU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 451, 455,
&end
#
# 52 PHE HB3 55 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 451, 455,
&end
#
# 54 PRO QG 55 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 431, 432,
igr2= 451, 455,
&end
#
# 55 PHE HE 85 VAL QG1 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1= 451, 455,
igr2= 907, 908, 909,
&end
#
# 68 ALA HA 69 PHE HE 5.32
&rst
ixpk= 0, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 673, 677,
&end
#
# 52 PHE HE 55 PHE HD 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 410, 414,
igr2= 449, 457,
&end
#
# 90 PHE HD 91 ALA HA 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 996, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 982, 990,
&end
#
# 38 PRO HB3 90 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 982, 990,
&end
#
# 51 ILE QG2 90 PHE HD 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1= 387, 388, 389,
igr2= 982, 990,
&end
#
# 54 PRO QG 55 PHE HD 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1= 431, 432,
igr2= 449, 457,
&end
#
# 55 PHE HD 56 GLY QA 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 449, 457,
igr2= 463, 464,
&end
#
# 90 PHE HA 90 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= 976, 986, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 PHE HA 69 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= 635, 675, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 PHE HD 100 SER HA 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 671, 679,
&end
#
# 64 LEU QD2 69 PHE HD 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 606, 607, 608,
igr2= 671, 679,
&end
#
# 68 ALA HA 69 PHE HD 5.01
&rst
ixpk= 0, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 671, 679,
&end
#
# 52 PHE HA 55 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= 402, 453, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 PHE HZ 81 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 846, 847, 848,
&end
#
# 55 PHE HZ 85 VAL QG1 5.39
&rst
ixpk= 0, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2= 907, 908, 909,
&end
#
# 52 PHE HE 58 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 410, 414,
igr2= 493, 494, 495,
&end
#
# 51 ILE HB 52 PHE HE 4.81
&rst
ixpk= 0, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 410, 414,
&end
#
# 29 LEU QD1 99 TYR HD 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 28, 29, 30,
igr2=1123,1132,
&end
#
# 59 LYS HA 72 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 722, 730,
&end
#
# 51 ILE QD1 52 PHE HE 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 394, 395, 396,
igr2= 410, 414,
&end
#
# 36 VAL HB 52 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= 144, 412, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 LEU HB3 52 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= 106, 412, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 LEU HB2 52 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= 337, 412, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 PHE HZ 97 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1093,1094,1095,
&end
#
# 36 VAL QG1 52 PHE HZ 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 146, 147, 148,
&end
#
# 86 HIS HA 86 HIS HD2 4.45
&rst
ixpk= 0, nxpk= 0, iat= 919, 930, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 65 ASN HND1 67 PHE HD 4.77
&rst
ixpk= 0, nxpk= 0, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 641, 649,
&end
#
# 64 LEU HB2 65 ASN HND1 4.99
&rst
ixpk= 0, nxpk= 0, iat= 597, 621, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 43 VAL HA 44 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 261, 287, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 ILE HB 90 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 984, 988,
&end
#
# 67 PHE HA 67 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 641, 649,
&end
#
# 37 ARG HA 67 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 641, 649,
&end
#
# 30 SER HA 31 ASN HND1 5.16
&rst
ixpk= 0, nxpk= 0, iat= 40, 58, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 37 ARG HD2 67 PHE HD 4.58
&rst
ixpk= 0, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 641, 649,
&end
#
# 38 PRO HB3 92 ASN HND1 5.36
&rst
ixpk= 0, nxpk= 0, iat= 188,1013, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 37 ARG HB3 67 PHE HD 4.46
&rst
ixpk= 0, nxpk= 0, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 641, 649,
&end
#
# 64 LEU HB3 67 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 598, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 641, 649,
&end
#
# 70 VAL QG1 72 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 689, 690, 691,
igr2= 724, 728,
&end
#
# 66 GLY HA2 67 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 643, 647,
&end
#
# 37 ARG HB2 67 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 643, 647,
&end
#
# 67 PHE HA 67 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 643, 647,
&end
#
# 39 PHE HD 90 PHE HD 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 202, 210,
igr2= 982, 990,
&end
#
# 39 PHE HD 66 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 202, 210,
&end
#
# 39 PHE HD 91 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 996, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 202, 210,
&end
#
# 31 ASN HB3 99 TYR HE 5.29
&rst
ixpk= 0, nxpk= 0, iat= 54, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1125,1130,
&end
#
# 82 ILE HG13 99 TYR HE 5.43
&rst
ixpk= 0, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1125,1130,
&end
#
# 98 VAL QG2 99 TYR HE 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=1109,1110,1111,
igr2=1125,1130,
&end
#
# 82 ILE QD1 99 TYR HE 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 865, 866, 867,
igr2=1125,1130,
&end
#
# 39 PHE HE 90 PHE HD 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 204, 208,
igr2= 982, 990,
&end
#
# 39 PHE HE 51 ILE QG2 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1= 204, 208,
igr2= 387, 388, 389,
&end
#
# 68 ALA HA 69 PHE HA 5.40
&rst
ixpk= 0, nxpk= 0, iat= 655, 665, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 61 VAL HA 69 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 538, 665, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 PHE HA 100 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 665,1140, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 ARG HB3 71 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 82, 701, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 LYS QE 71 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 512, 513,
&end
#
# 35 PHE HA 35 PHE HD 5.07
&rst
ixpk= 0, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 128, 136,
&end
#
# 39 PHE HD 67 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 202, 210,
&end
#
# 35 PHE HA 69 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 671, 679,
&end
#
# 99 TYR HA 99 TYR HE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1117, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1125,1130,
&end
#
# 99 TYR HA 99 TYR HD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1117, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1123,1132,
&end
#
# 36 VAL HA 52 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= 142, 412, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 VAL HA 39 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 204, 208,
&end
#
# 36 VAL HA 95 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1058,1059,1060,
&end
#
# 62 LYS HB3 68 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 557, 655, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 PHE HA 39 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 204, 208,
&end
#
# 39 PHE HA 40 PRO HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 196, 222, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 PHE HA 90 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 982, 990,
&end
#
# 52 PHE HA 55 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 451, 455,
&end
#
# 51 ILE HA 52 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 383, 402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 PRO HA 39 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 202, 210,
&end
#
# 39 PHE HD 40 PRO HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 202, 210,
&end
#
# 31 ASN HA 31 ASN HND2 4.95
&rst
ixpk= 0, nxpk= 0, iat= 51, 59, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 31 ASN HA 75 ALA QB 5.06
&rst
ixpk= 0, nxpk= 0, iat= 51, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 768, 769, 770,
&end
#
# 29 LEU HA 29 LEU QD2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 32, 33, 34,
&end
#
# 64 LEU HA 69 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 673, 677,
&end
#
# 58 MET HA 70 VAL QG2 5.33
&rst
ixpk= 0, nxpk= 0, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 693, 694, 695,
&end
#
# 35 PHE HB3 100 SER HA 2.83
&rst
ixpk= 0, nxpk= 0, iat= 125,1138, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 57 PRO QB 58 MET HA 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 475, 476,
&end
#
# 58 MET HA 72 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 724, 728,
&end
#
# 58 MET HA 59 LYS HA 4.44
&rst
ixpk= 0, nxpk= 0, iat= 484, 501, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 90 PHE HA 90 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 976, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 984, 988,
&end
#
# 37 ARG HA 67 PHE HB3 5.37
&rst
ixpk= 0, nxpk= 0, iat= 158, 638, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 37 ARG HA 37 ARG HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 158, 167, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 PHE HE 84 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 451, 455,
&end
#
# 83 GLU QB 84 GLU HA 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 875, 876,
&end
#
# 52 PHE HE 70 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 410, 414,
&end
#
# 41 LEU QD1 66 GLY HA3 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 237, 238, 239,
&end
#
# 34 LEU QD2 70 VAL HA 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 114, 115, 116,
&end
#
# 62 LYS HG3 70 VAL HA 4.94
&rst
ixpk= 0, nxpk= 0, iat= 560, 685, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 55 PHE HA 55 PHE HE 4.81
&rst
ixpk= 0, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 451, 455,
&end
#
# 30 SER HA 32 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 40, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 69, 70, 71,
&end
#
# 29 LEU QD1 30 SER HA 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 40, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 28, 29, 30,
&end
#
# 29 LEU HA 30 SER HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= 21, 40, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 88 LYS HA 88 LYS QD 3.33
&rst
ixpk= 0, nxpk= 0, iat= 943, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 951, 952,
&end
#
# 30 SER HA 33 ARG QD 4.69
&rst
ixpk= 0, nxpk= 0, iat= 40, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 87, 88,
&end
#
# 88 LYS HA 88 LYS HG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 943, 948, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 65 ASN HB2 66 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 616, 628, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 THR HB 75 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 67, 766, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 PRO HA 55 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 449, 457,
&end
#
# 86 HIS HA 95 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1058,1059,1060,
&end
#
# 86 HIS HA 95 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1062,1063,1064,
&end
#
# 92 ASN HA 93 GLN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1006,1020, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 GLU HA 76 GLU HG3 4.06
&rst
ixpk= 0, nxpk= 0, iat= 776, 782, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 77 SER HA 80 LYS QG 3.77
&rst
ixpk= 0, nxpk= 0, iat= 791, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 827, 828,
&end
#
# 92 ASN HA 92 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1006,1013, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 LEU HA 52 PHE HE 4.83
&rst
ixpk= 0, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 410, 414,
&end
#
# 79 ALA HA 99 TYR HE 5.49
&rst
ixpk= 0, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=1125,1130,
&end
#
# 77 SER HA 80 LYS QE 4.53
&rst
ixpk= 0, nxpk= 0, iat= 791, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 833, 834,
&end
#
# 80 LYS HA 84 GLU HG2 4.61
&rst
ixpk= 0, nxpk= 0, iat= 822, 893, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 85 VAL HA 88 LYS QE 5.11
&rst
ixpk= 0, nxpk= 0, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 954, 955,
&end
#
# 63 ILE HA 64 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 576, 595, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 ILE HA 69 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 673, 677,
&end
#
# 63 ILE HA 69 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 671, 679,
&end
#
# 30 SER HB2 31 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 42, 51, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 LEU HA 30 SER HB2 5.30
&rst
ixpk= 0, nxpk= 0, iat= 21, 42, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 30 SER HB2 33 ARG QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 84, 85,
&end
#
# 29 LEU HB3 30 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 24, 42, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 LEU QD2 30 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 42, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 32, 33, 34,
&end
#
# 33 ARG QD 100 SER HB2 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1140, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 87, 88,
&end
#
# 55 PHE HE 81 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 451, 455,
&end
#
# 52 PHE HB3 52 PHE HZ 5.80
&rst
ixpk= 0, nxpk= 0, iat= 405, 412, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 57 PRO HD2 72 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 724, 728,
&end
#
# 38 PRO QD 95 LEU HG 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 181, 182,
&end
#
# 38 PRO QD 95 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 181, 182,
igr2=1062,1063,1064,
&end
#
# 82 ILE HA 82 ILE QD1 4.92
&rst
ixpk= 0, nxpk= 0, iat= 854, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2= 865, 866, 867,
&end
#
# 88 LYS HA 88 LYS QE 4.69
&rst
ixpk= 0, nxpk= 0, iat= 943, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 954, 955,
&end
#
# 52 PHE HB3 55 PHE HB2 5.40
&rst
ixpk= 0, nxpk= 0, iat= 405, 445, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 39 PHE HB3 43 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 199, 261, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 THR QG2 33 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 69, 70, 71,
igr2= 87, 88,
&end
#
# 90 PHE HB3 94 PRO HA 4.61
&rst
ixpk= 0, nxpk= 0, iat= 979,1045, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 59 LYS QE 72 PHE HB3 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 512, 513,
&end
#
# 59 LYS HG3 59 LYS QE 3.70
&rst
ixpk= 0, nxpk= 0, iat= 507, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 512, 513,
&end
#
# 59 LYS HA 59 LYS QE 4.83
&rst
ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 512, 513,
&end
#
# 59 LYS QE 72 PHE HD 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 512, 513,
igr2= 722, 730,
&end
#
# 39 PHE HD 90 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 202, 210,
&end
#
# 46 SER QB 49 ASN HB3 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 357, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 311, 312,
&end
#
# 67 PHE HB2 68 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 637, 655, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 PHE HB2 97 VAL HA 5.24
&rst
ixpk= 0, nxpk= 0, iat= 124,1085, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 41 LEU QD2 65 ASN HB3 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 241, 242, 243,
&end
#
# 48 LEU HA 52 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 335, 404, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 LEU HG 99 TYR HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 26,1119, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 PHE HD 58 MET QG 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 449, 457,
igr2= 489, 490,
&end
#
# 49 ASN HA 58 MET QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 489, 490,
&end
#
# 55 PHE HE 84 GLU HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 451, 455,
&end
#
# 55 PHE HB2 84 GLU HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 445, 894, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 GLN QG 46 SER QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 282, 283,
igr2= 311, 312,
&end
#
# 55 PHE HE 84 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 451, 455,
&end
#
# 55 PHE HZ 84 GLU HG2 5.48
&rst
ixpk= 0, nxpk= 0, iat= 453, 893, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 93 GLN HG3 94 PRO QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1026, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1036,1037,
&end
#
# 57 PRO QB 72 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 475, 476,
igr2= 724, 728,
&end
#
# 92 ASN HND1 93 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1013,1025, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 VAL QG1 47 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 265, 266, 267,
&end
#
# 34 LEU HA 97 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 103,1087, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 GLU HG2 97 VAL HA 5.37
&rst
ixpk= 0, nxpk= 0, iat=1075,1085, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 38 PRO HB3 39 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 202, 210,
&end
#
# 76 GLU HB3 80 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 833, 834,
&end
#
# 38 PRO HB3 39 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 204, 208,
&end
#
# 38 PRO HB3 93 GLN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 188,1020, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 PRO QB 55 PHE HA 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 434, 435,
&end
#
# 54 PRO QB 55 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 434, 435,
igr2= 449, 457,
&end
#
# 39 PHE HB2 43 VAL HB 3.34
&rst
ixpk= 0, nxpk= 0, iat= 198, 263, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 43 VAL HB 48 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 263, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 346, 347, 348,
&end
#
# 38 PRO HB2 95 LEU QD1 5.36
&rst
ixpk= 0, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2=1058,1059,1060,
&end
#
# 86 HIS HE1 96 GLU HB2 5.36
&rst
ixpk= 0, nxpk= 0, iat= 927,1072, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 55 PHE HD 84 GLU HB2 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 890, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 449, 457,
&end
#
# 55 PHE HE 84 GLU HB2 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 890, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 451, 455,
&end
#
# 93 GLN HB3 94 PRO QD 4.31
&rst
ixpk= 0, nxpk= 0, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1036,1037,
&end
#
# 59 LYS QE 71 GLU HB3 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 512, 513,
&end
#
# 62 LYS HB3 69 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 673, 677,
&end
#
# 36 VAL HB 39 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 202, 210,
&end
#
# 61 VAL HB 70 VAL QG1 5.11
&rst
ixpk= 0, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 689, 690, 691,
&end
#
# 88 LYS HB2 88 LYS QD 3.60
&rst
ixpk= 0, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 951, 952,
&end
#
# 58 MET HB2 58 MET QE 4.71
&rst
ixpk= 0, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 493, 494, 495,
&end
#
# 61 VAL HA 71 GLU HB2 5.01
&rst
ixpk= 0, nxpk= 0, iat= 538, 703, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 59 LYS QE 71 GLU HB2 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 512, 513,
&end
#
# 34 LEU HG 81 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 108, 844, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 ARG HB3 37 ARG HD2 3.53
&rst
ixpk= 0, nxpk= 0, iat= 161, 166, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 37 ARG HB3 39 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 202, 210,
&end
#
# 63 ILE HB 68 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 578, 655, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 ARG HB2 37 ARG HD2 3.37
&rst
ixpk= 0, nxpk= 0, iat= 160, 166, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 55 PHE HE 80 LYS QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 451, 455,
igr2= 827, 828,
&end
#
# 41 LEU HB2 41 LEU QD1 4.03
&rst
ixpk= 0, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 237, 238, 239,
&end
#
# 33 ARG QG 34 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 84, 85,
igr2= 110, 111, 112,
&end
#
# 29 LEU HB3 99 TYR HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 24, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1125,1130,
&end
#
# 64 LEU HG 69 PHE HD 5.25
&rst
ixpk= 0, nxpk= 0, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2= 671, 679,
&end
#
# 29 LEU HB2 29 LEU QD1 4.07
&rst
ixpk= 0, nxpk= 0, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 28, 29, 30,
&end
#
# 64 LEU HG 67 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 641, 649,
&end
#
# 76 GLU HG2 79 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 781, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 814, 815, 816,
&end
#
# 79 ALA QB 83 GLU QB 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 814, 815, 816,
igr2= 875, 876,
&end
#
# 51 ILE HB 54 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 385, 429, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 LEU HB2 63 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 587, 588, 589,
&end
#
# 59 LYS QB 72 PHE HD 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 503, 504,
igr2= 722, 730,
&end
#
# 32 THR HB 75 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 67, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 768, 769, 770,
&end
#
# 59 LYS QB 72 PHE HA 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 716, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 503, 504,
&end
#
# 62 LYS HG3 69 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 560, 665, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 LYS HG3 69 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 560, 667, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 LYS HG3 73 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 507, 741, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 LYS HG3 72 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 507, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 722, 730,
&end
#
# 59 LYS HG3 73 GLU HB3 5.19
&rst
ixpk= 0, nxpk= 0, iat= 507, 739, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 39 PHE HD 91 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 202, 210,
igr2= 998, 999,1000,
&end
#
# 44 GLN HA 48 LEU HG 5.22
&rst
ixpk= 0, nxpk= 0, iat= 277, 340, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 39 PHE HB3 91 ALA QB 5.42
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 998, 999,1000,
&end
#
# 91 ALA QB 92 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 998, 999,1000,
&end
#
# 39 PHE HE 91 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 204, 208,
igr2= 998, 999,1000,
&end
#
# 52 PHE HZ 70 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 412, 687, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 GLU HA 48 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 320, 340, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 LYS HG2 73 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 506, 736, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 PHE HE 81 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 451, 455,
igr2= 846, 847, 848,
&end
#
# 52 PHE HE 81 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 410, 414,
igr2= 846, 847, 848,
&end
#
# 52 PHE HZ 81 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 846, 847, 848,
&end
#
# 51 ILE QG2 81 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 387, 388, 389,
igr2= 846, 847, 848,
&end
#
# 80 LYS HA 81 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 846, 847, 848,
&end
#
# 34 LEU HB2 100 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 105,1140, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 LEU HB2 81 ALA QB 4.71
&rst
ixpk= 0, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 846, 847, 848,
&end
#
# 34 LEU HB2 36 VAL QG2 4.69
&rst
ixpk= 0, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 150, 151, 152,
&end
#
# 34 LEU HB2 70 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 105, 685, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 VAL QG2 52 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 150, 151, 152,
&end
#
# 36 VAL QG2 39 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 150, 151, 152,
igr2= 204, 208,
&end
#
# 86 HIS HE1 98 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1105,1106,1107,
&end
#
# 52 PHE HD 97 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 408, 416,
igr2=1093,1094,1095,
&end
#
# 35 PHE HD 98 VAL QG1 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 128, 136,
igr2=1105,1106,1107,
&end
#
# 63 ILE QD1 68 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 587, 588, 589,
igr2= 657, 658, 659,
&end
#
# 32 THR QG2 99 TYR HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 69, 70, 71,
igr2=1125,1130,
&end
#
# 64 LEU QD2 69 PHE HE 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 606, 607, 608,
igr2= 673, 677,
&end
#
# 31 ASN HND2 32 THR QG2 4.87
&rst
ixpk= 0, nxpk= 0, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 69, 70, 71,
&end
#
# 64 LEU QD2 69 PHE HZ 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 675, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 606, 607, 608,
&end
#
# 64 LEU HA 64 LEU QD2 4.36
&rst
ixpk= 0, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 606, 607, 608,
&end
#
# 32 THR QG2 71 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 69, 70, 71,
&end
#
# 30 SER HB3 32 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 69, 70, 71,
&end
#
# 64 LEU QD1 69 PHE HD 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 602, 603, 604,
igr2= 671, 679,
&end
#
# 51 ILE HG12 90 PHE HE 4.72
&rst
ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 984, 988,
&end
#
# 64 LEU QD1 68 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 602, 603, 604,
&end
#
# 86 HIS HD2 98 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1109,1110,1111,
&end
#
# 58 MET HB2 61 VAL QG2 3.80
&rst
ixpk= 0, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 546, 547, 548,
&end
#
# 86 HIS HA 97 VAL QG1 5.44
&rst
ixpk= 0, nxpk= 0, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2=1089,1090,1091,
&end
#
# 90 PHE HB3 95 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 979,1053, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 GLU HA 61 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 546, 547, 548,
&end
#
# 38 PRO QD 95 LEU HB2 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1053, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 181, 182,
&end
#
# 36 VAL QG1 39 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 146, 147, 148,
igr2= 204, 208,
&end
#
# 34 LEU QD2 52 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 405, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 114, 115, 116,
&end
#
# 33 ARG QG 34 LEU QD2 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 84, 85,
igr2= 114, 115, 116,
&end
#
# 55 PHE HD 85 VAL QG1 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 449, 457,
igr2= 907, 908, 909,
&end
#
# 84 GLU HA 85 VAL QG1 4.94
&rst
ixpk= 0, nxpk= 0, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 907, 908, 909,
&end
#
# 85 VAL QG1 86 HIS HA 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 907, 908, 909,
&end
#
# 34 LEU QD2 100 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1140, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 114, 115, 116,
&end
#
# 79 ALA QB 82 ILE QD1 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 814, 815, 816,
igr2= 865, 866, 867,
&end
#
# 34 LEU QD2 52 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 114, 115, 116,
igr2= 408, 416,
&end
#
# 82 ILE QD1 83 GLU QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 865, 866, 867,
igr2= 875, 876,
&end
#
# 34 LEU QD2 52 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 114, 115, 116,
&end
#
# 29 LEU QD1 99 TYR HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1117, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 28, 29, 30,
&end
#
# 29 LEU QD1 100 SER HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 28, 29, 30,
&end
#
# 48 LEU QD2 63 ILE QG2 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1= 346, 347, 348,
igr2= 580, 581, 582,
&end
#
# 45 GLU HA 63 ILE QG2 5.47
&rst
ixpk= 0, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2= 580, 581, 582,
&end
#
# 48 LEU QD1 52 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 342, 343, 344,
igr2= 408, 416,
&end
#
# 61 VAL QG1 68 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 542, 543, 544,
&end
#
# 48 LEU HA 48 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 342, 343, 344,
&end
#
# 45 GLU HA 48 LEU QD1 5.18
&rst
ixpk= 0, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 342, 343, 344,
&end
#
# 88 LYS HA 95 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 943, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1062,1063,1064,
&end
#
# 88 LYS QE 95 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 954, 955,
igr2=1062,1063,1064,
&end
#
# 51 ILE QD1 52 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 394, 395, 396,
igr2= 408, 416,
&end
#
# 51 ILE QD1 52 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 394, 395, 396,
&end
#
# 48 LEU HB2 51 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 394, 395, 396,
&end
#
# 63 ILE QD1 68 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 587, 588, 589,
&end
#
# 43 VAL QG1 48 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 265, 266, 267,
&end
#
# 39 PHE HE 43 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 204, 208,
igr2= 265, 266, 267,
&end
#
# 34 LEU QD1 99 TYR HE 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1= 110, 111, 112,
igr2=1125,1130,
&end
#
# 32 THR HA 34 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 110, 111, 112,
&end
#
# 64 LEU HB2 69 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= 597, 675, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 90 PHE HE 95 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 984, 988,
igr2=1058,1059,1060,
&end
#
# 48 LEU QD2 52 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 346, 347, 348,
igr2= 410, 414,
&end
#
# 44 GLN HA 48 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 346, 347, 348,
&end
#
# 48 LEU QD2 63 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 576, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 346, 347, 348,
&end
#
# 60 GLU HA 70 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 693, 694, 695,
&end
#
# 52 PHE HE 70 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 410, 414,
igr2= 693, 694, 695,
&end
#
# 69 PHE HA 70 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 693, 694, 695,
&end
#
# 48 LEU QD2 68 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 346, 347, 348,
&end
#
# 52 PHE HA 70 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 693, 694, 695,
&end
#
# 58 MET QE 70 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 493, 494, 495,
igr2= 693, 694, 695,
&end
#
# 36 VAL QG2 70 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 150, 151, 152,
igr2= 693, 694, 695,
&end
#
# 63 ILE QD1 70 VAL QG1 4.77
(#63 ILE HA 70 VAL QG1 5.50)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1= 587, 588, 589,
igr2= 689, 690, 691,
&end
#
# 52 PHE HZ 70 VAL QG1 5.43
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 689, 690, 691,
&end
#
# 68 ALA HA 70 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 689, 690, 691,
&end
#
# 50 GLU HB3 51 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 387, 388, 389,
&end
#
# 48 LEU HB2 70 VAL QG1 5.06
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 689, 690, 691,
&end
#
# 68 ALA QB 70 VAL QG1 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.62, r4= 8.12,
igr1= 657, 658, 659,
igr2= 689, 690, 691,
&end
#
# 61 VAL QG1 70 VAL QG1 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 542, 543, 544,
igr2= 689, 690, 691,
&end
#
# 51 ILE QG2 52 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 387, 388, 389,
igr2= 410, 414,
&end
#
# 69 PHE HA 70 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 689, 690, 691,
&end
#
# Npl3_1RRM manual NOEs for b-sheet and a-helices, upper and lower limits
#
# 60 GLU HN 71 GLU O 2.00
&rst
ixpk= 0, nxpk= 0, iat= 521, 712, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 60 GLU N 71 GLU O 3.00
&rst
ixpk= 0, nxpk= 0, iat= 520, 712, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 60 GLU O 71 GLU HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 534, 699, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 60 GLU O 71 GLU N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 534, 698, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 62 LYS HN 69 PHE O 2.00
&rst
ixpk= 0, nxpk= 0, iat= 552, 681, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 62 LYS N 69 PHE O 3.00
&rst
ixpk= 0, nxpk= 0, iat= 551, 681, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 62 LYS O 69 PHE HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 572, 663, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 62 LYS O 69 PHE N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 572, 662, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 64 LEU HN 67 PHE O 2.00
&rst
ixpk= 0, nxpk= 0, iat= 593, 651, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 64 LEU N 67 PHE O 3.00
&rst
ixpk= 0, nxpk= 0, iat= 592, 651, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 64 LEU O 67 PHE HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 610, 633, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 64 LEU O 67 PHE N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 610, 632, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 68 ALA HN 36 VAL O 2.00
&rst
ixpk= 0, nxpk= 0, iat= 653, 154, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 68 ALA N 36 VAL O 3.00
&rst
ixpk= 0, nxpk= 0, iat= 652, 154, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 68 ALA O 36 VAL HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 661, 140, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 68 ALA O 36 VAL N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 661, 139, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 70 VAL HN 34 LEU O 2.00
&rst
ixpk= 0, nxpk= 0, iat= 683, 118, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 70 VAL N 34 LEU O 3.00
&rst
ixpk= 0, nxpk= 0, iat= 682, 118, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 70 VAL O 34 LEU HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 697, 101, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 70 VAL O 34 LEU N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 697, 100, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 35 PHE HN 96 GLU O 2.00
&rst
ixpk= 0, nxpk= 0, iat= 120,1081, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 35 PHE N 96 GLU O 3.00
&rst
ixpk= 0, nxpk= 0, iat= 119,1081, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 35 PHE O 96 GLU HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 138,1068, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 35 PHE O 96 GLU N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 138,1067, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 33 ARG HN 98 VAL O 2.00
&rst
ixpk= 0, nxpk= 0, iat= 77,1113, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 33 ARG N 98 VAL O 3.00
&rst
ixpk= 0, nxpk= 0, iat= 76,1113, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 33 ARG O 98 VAL HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 99,1099, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 33 ARG O 98 VAL N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 99,1098, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 90 PHE HN 93 GLN O 2.00
&rst
ixpk= 0, nxpk= 0, iat= 974,1033, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 90 PHE N 93 GLN O 3.00
&rst
ixpk= 0, nxpk= 0, iat= 973,1033, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 90 PHE O 93 GLN HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 992,1018, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 90 PHE O 93 GLN N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 992,1017, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 44 GLN O 48 LEU HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 290, 333, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 44 GLN O 48 LEU N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 290, 332, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 45 GLU O 49 ASN HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 305, 352, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 45 GLU O 49 ASN N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 305, 351, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 46 SER O 50 GLU HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 316, 366, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 46 SER O 50 GLU N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 316, 365, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 47 GLU O 51 ILE HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 331, 381, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 47 GLU O 51 ILE N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 331, 380, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 48 LEU O 52 PHE HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 350, 400, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 48 LEU O 52 PHE N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 350, 399, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 75 ALA O 79 ALA HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 772, 810, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 75 ALA O 79 ALA N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 772, 809, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 76 GLU O 80 LYS HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 787, 820, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 76 GLU O 80 LYS N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 787, 819, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 77 SER O 81 ALA HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 798, 842, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 77 SER O 81 ALA N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 798, 841, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 78 ALA O 82 ILE HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 808, 852, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 78 ALA O 82 ILE N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 808, 851, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 79 ALA O 83 GLU HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 818, 871, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 79 ALA O 83 GLU N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 818, 870, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 80 LYS O 84 GLU HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 840, 886, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 80 LYS O 84 GLU N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 840, 885, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 60 GLU HN 71 GLU O 1.80
&rst
ixpk= 0, nxpk= 0, iat= 521, 712, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30, &end
#
# 60 GLU N 71 GLU O 2.70
&rst
ixpk= 0, nxpk= 0, iat= 520, 712, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 60 GLU O 71 GLU HN 1.80
&rst
ixpk= 0, nxpk= 0, iat= 534, 699, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30, &end
#
# 60 GLU O 71 GLU N 2.70
&rst
ixpk= 0, nxpk= 0, iat= 534, 698, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 62 LYS HN 69 PHE O 1.80
&rst
ixpk= 0, nxpk= 0, iat= 552, 681, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30, &end
#
# 62 LYS N 69 PHE O 2.70
&rst
ixpk= 0, nxpk= 0, iat= 551, 681, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 62 LYS O 69 PHE HN 1.80
&rst
ixpk= 0, nxpk= 0, iat= 572, 663, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30, &end
#
# 62 LYS O 69 PHE N 2.70
&rst
ixpk= 0, nxpk= 0, iat= 572, 662, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 64 LEU HN 67 PHE O 1.80
&rst
ixpk= 0, nxpk= 0, iat= 593, 651, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30, &end
#
# 64 LEU N 67 PHE O 2.70
&rst
ixpk= 0, nxpk= 0, iat= 592, 651, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 64 LEU O 67 PHE HN 1.80
&rst
ixpk= 0, nxpk= 0, iat= 610, 633, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30, &end
#
# 64 LEU O 67 PHE N 2.70
&rst
ixpk= 0, nxpk= 0, iat= 610, 632, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 68 ALA HN 36 VAL O 1.80
&rst
ixpk= 0, nxpk= 0, iat= 653, 154, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30, &end
#
# 68 ALA N 36 VAL O 2.70
&rst
ixpk= 0, nxpk= 0, iat= 652, 154, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 68 ALA O 36 VAL HN 1.80
&rst
ixpk= 0, nxpk= 0, iat= 661, 140, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30, &end
#
# 68 ALA O 36 VAL N 2.70
&rst
ixpk= 0, nxpk= 0, iat= 661, 139, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 70 VAL HN 34 LEU O 1.80
&rst
ixpk= 0, nxpk= 0, iat= 683, 118, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30, &end
#
# 70 VAL N 34 LEU O 2.70
&rst
ixpk= 0, nxpk= 0, iat= 682, 118, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 70 VAL O 34 LEU HN 1.80
&rst
ixpk= 0, nxpk= 0, iat= 697, 101, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30, &end
#
# 70 VAL O 34 LEU N 2.70
&rst
ixpk= 0, nxpk= 0, iat= 697, 100, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 35 PHE HN 96 GLU O 1.80
&rst
ixpk= 0, nxpk= 0, iat= 120,1081, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30, &end
#
# 35 PHE N 96 GLU O 2.70
&rst
ixpk= 0, nxpk= 0, iat= 119,1081, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 35 PHE O 96 GLU HN 1.80
&rst
ixpk= 0, nxpk= 0, iat= 138,1068, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30, &end
#
# 35 PHE O 96 GLU N 2.70
&rst
ixpk= 0, nxpk= 0, iat= 138,1067, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 33 ARG HN 98 VAL O 1.80
&rst
ixpk= 0, nxpk= 0, iat= 77,1113, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30, &end
#
# 33 ARG N 98 VAL O 2.70
&rst
ixpk= 0, nxpk= 0, iat= 76,1113, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 33 ARG O 98 VAL HN 1.80
&rst
ixpk= 0, nxpk= 0, iat= 99,1099, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30, &end
#
# 33 ARG O 98 VAL N 2.70
&rst
ixpk= 0, nxpk= 0, iat= 99,1098, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 90 PHE HN 93 GLN O 2.00
&rst
ixpk= 0, nxpk= 0, iat= 974,1033, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 90 PHE N 93 GLN O 3.00
&rst
ixpk= 0, nxpk= 0, iat= 973,1033, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 90 PHE O 93 GLN HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 992,1018, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 90 PHE O 93 GLN N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 992,1017, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 44 GLN O 48 LEU HN 1.80
&rst
ixpk= 0, nxpk= 0, iat= 290, 333, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30, &end
#
# 44 GLN O 48 LEU N 2.70
&rst
ixpk= 0, nxpk= 0, iat= 290, 332, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 45 GLU O 49 ASN HN 1.80
&rst
ixpk= 0, nxpk= 0, iat= 305, 352, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30, &end
#
# 45 GLU O 49 ASN N 2.70
&rst
ixpk= 0, nxpk= 0, iat= 305, 351, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 46 SER O 50 GLU HN 1.80
&rst
ixpk= 0, nxpk= 0, iat= 316, 366, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30, &end
#
# 46 SER O 50 GLU N 2.70
&rst
ixpk= 0, nxpk= 0, iat= 316, 365, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 47 GLU O 51 ILE HN 1.80
&rst
ixpk= 0, nxpk= 0, iat= 331, 381, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30, &end
#
# 47 GLU O 51 ILE N 2.70
&rst
ixpk= 0, nxpk= 0, iat= 331, 380, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 48 LEU O 52 PHE HN 1.80
&rst
ixpk= 0, nxpk= 0, iat= 350, 400, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30, &end
#
# 48 LEU O 52 PHE N 2.70
&rst
ixpk= 0, nxpk= 0, iat= 350, 399, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 75 ALA O 79 ALA HN 1.80
&rst
ixpk= 0, nxpk= 0, iat= 772, 810, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30, &end
#
# 75 ALA O 79 ALA N 2.70
&rst
ixpk= 0, nxpk= 0, iat= 772, 809, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 76 GLU O 80 LYS HN 1.80
&rst
ixpk= 0, nxpk= 0, iat= 787, 820, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30, &end
#
# 76 GLU O 80 LYS N 2.70
&rst
ixpk= 0, nxpk= 0, iat= 787, 819, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 77 SER O 81 ALA HN 1.80
&rst
ixpk= 0, nxpk= 0, iat= 798, 842, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30, &end
#
# 77 SER O 81 ALA N 2.70
&rst
ixpk= 0, nxpk= 0, iat= 798, 841, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 78 ALA O 82 ILE HN 1.80
&rst
ixpk= 0, nxpk= 0, iat= 808, 852, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30, &end
#
# 78 ALA O 82 ILE N 2.70
&rst
ixpk= 0, nxpk= 0, iat= 808, 851, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 79 ALA O 83 GLU HN 1.80
&rst
ixpk= 0, nxpk= 0, iat= 818, 871, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30, &end
#
# 79 ALA O 83 GLU N 2.70
&rst
ixpk= 0, nxpk= 0, iat= 818, 870, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 80 LYS O 84 GLU HN 1.80
&rst
ixpk= 0, nxpk= 0, iat= 840, 886, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30, &end
#
# 80 LYS O 84 GLU N 2.70
&rst
ixpk= 0, nxpk= 0, iat= 840, 885, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 64 LEU HN 67 PHE HN 5.5
&rst
ixpk= 0, nxpk= 0, iat= 593, 633, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 LEU HN 68 ALA HA 5.5
&rst
ixpk= 0, nxpk= 0, iat= 593, 655, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 ILE HA 68 ALA HA 5.5
&rst
ixpk= 0, nxpk= 0, iat= 576, 655, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 ILE HA 69 PHE HN 5.5
&rst
ixpk= 0, nxpk= 0, iat= 576, 663, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 LYS HN 69 PHE HN 5.5
&rst
ixpk= 0, nxpk= 0, iat= 552, 663, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 LYS HN 70 VAL HA 5.5
&rst
ixpk= 0, nxpk= 0, iat= 552, 685, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 VAL HA 70 VAL HA 5.5
&rst
ixpk= 0, nxpk= 0, iat= 538, 685, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 VAL HA 71 GLU HN 5.5
&rst
ixpk= 0, nxpk= 0, iat= 538, 699, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 GLU HN 71 GLU HN 5.5
&rst
ixpk= 0, nxpk= 0, iat= 521, 699, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 GLU HN 72 PHE HA 5.5
&rst
ixpk= 0, nxpk= 0, iat= 521, 716, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 PHE HA 37 ARG HA 5.5
&rst
ixpk= 0, nxpk= 0, iat= 635, 158, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 ALA HN 37 ARG HA 5.5
&rst
ixpk= 0, nxpk= 0, iat= 653, 158, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 ALA HN 36 VAL HN 5.5
&rst
ixpk= 0, nxpk= 0, iat= 653, 140, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 PHE HA 36 VAL HN 5.5
&rst
ixpk= 0, nxpk= 0, iat= 665, 140, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 PHE HA 35 PHE HA 5.5
&rst
ixpk= 0, nxpk= 0, iat= 665, 122, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 VAL HN 35 PHE HA 5.5
&rst
ixpk= 0, nxpk= 0, iat= 683, 122, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 VAL HN 34 LEU HN 5.5
&rst
ixpk= 0, nxpk= 0, iat= 683, 101, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 GLU HA 34 LEU HN 5.5
&rst
ixpk= 0, nxpk= 0, iat= 701, 101, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 GLU HA 33 ARG HA 5.5
&rst
ixpk= 0, nxpk= 0, iat= 701, 79, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 PHE HN 33 ARG HA 5.5
&rst
ixpk= 0, nxpk= 0, iat= 714, 79, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 VAL HA 96 GLU HN 5.5
&rst
ixpk= 0, nxpk= 0, iat= 142,1068, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 PHE HN 96 GLU HN 5.5
&rst
ixpk= 0, nxpk= 0, iat= 120,1068, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 PHE HN 97 VAL HA 5.5
&rst
ixpk= 0, nxpk= 0, iat= 120,1085, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 LEU HA 97 VAL HA 5.5
&rst
ixpk= 0, nxpk= 0, iat= 103,1085, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 LEU HA 98 VAL HN 5.5
&rst
ixpk= 0, nxpk= 0, iat= 103,1099, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 GLN HN 90 PHE HN 5.5
&rst
ixpk= 0, nxpk= 0, iat=1018, 974, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 90 PHE HN 94 PRO HA 5.5
&rst
ixpk= 0, nxpk= 0, iat= 974,1045, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 SER HA 94 PRO HA 5.5
&rst
ixpk= 0, nxpk= 0, iat= 965,1045, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
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