NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
623332 |
5x3y   |
36058 | cing | 1-original | 3 | AMBER | distance | NOE | simple |
# 5 LYS+ HA 56 GLU- HA 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 58, 873, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
&end
#
# 5 LYS+ HA 59 VAL QG2 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 927, 928, 929,
&end
#
# 5 LYS+ HA 5 LYS+ HG2 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 58, 63, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 5 LYS+ HA 5 LYS+ HG3 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 58, 64, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 5 LYS+ HA 5 LYS+ QG 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 63, 64,
&end
#
# 5 LYS+ HN 5 LYS+ HG2 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 56, 63, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 5 LYS+ HN 5 LYS+ HG3 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 56, 64, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 5 LYS+ HN 5 LYS+ QB 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 56, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 60, 61,
&end
#
# 5 LYS+ HN 6 LYS+ HN 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= 56, 78, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 5 LYS+ HN 6 LYS+ QB 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 56, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 82, 83,
&end
#
# 5 LYS+ HN 6 LYS+ QG 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= 56, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 85, 86,
&end
#
# 5 LYS+ QB 53 PHE HN 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 60, 61,
&end
#
# 5 LYS+ QB 59 VAL QG2 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 60, 61,
igr2= 927, 928, 929,
&end
#
# 5 LYS+ QB 6 LYS+ HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 78, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 60, 61,
&end
#
# 6 LYS+ HA 52 THR QG2 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 817, 818, 819,
&end
#
# 6 LYS+ HA 53 PHE HN 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 80, 825, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 6 LYS+ HA 6 LYS+ QG 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 85, 86,
&end
#
# 6 LYS+ HA 7 ILE HA 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 80, 102, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 6 LYS+ HA 7 ILE HN 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat= 80, 100, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 6 LYS+ HB2 7 ILE HN 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 82, 100, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 6 LYS+ HB3 7 ILE HN 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 83, 100, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 6 LYS+ HN 59 VAL QG1 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2= 923, 924, 925,
&end
#
# 6 LYS+ HN 59 VAL QG2 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 927, 928, 929,
&end
#
# 6 LYS+ HN 6 LYS+ HB2 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 78, 82, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 6 LYS+ HN 6 LYS+ HB3 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 78, 83, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 6 LYS+ HN 6 LYS+ QG 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 85, 86,
&end
#
# 6 LYS+ HN 7 ILE QG2 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 106, 107, 108,
&end
#
# 6 LYS+ HN 80 ALA QB 1.80 5.18
&rst
ixpk= 0, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=1276,1277,1278,
&end
#
# 6 LYS+ QB 53 PHE HN 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 82, 83,
&end
#
# 6 LYS+ QB 7 ILE HN 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 82, 83,
&end
#
# 6 LYS+ QB 80 ALA HN 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1272, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 82, 83,
&end
#
# 6 LYS+ QB 80 ALA QB 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 82, 83,
igr2=1276,1277,1278,
&end
#
# 6 LYS+ QE 80 ALA QB 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 91, 92,
igr2=1276,1277,1278,
&end
#
# 6 LYS+ QG 7 ILE HN 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 85, 86,
&end
#
# 7 ILE HA 78 LYS+ HN 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= 102,1228, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 7 ILE HA 79 LYS+ HA 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 102,1252, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 7 ILE HA 7 ILE QG2 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 106, 107, 108,
&end
#
# 7 ILE HA 80 ALA HN 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 102,1272, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 7 ILE HA 80 ALA QB 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1276,1277,1278,
&end
#
# 7 ILE HA 8 PHE HN 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat= 102, 119, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 7 ILE HB 62 VAL QG1 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 976, 977, 978,
&end
#
# 7 ILE HB 78 LYS+ HN 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 104,1228, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 7 ILE HB 7 ILE QD1 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 113, 114, 115,
&end
#
# 7 ILE HB 8 PHE HN 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 104, 119, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 7 ILE HG12 53 PHE HB2 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 110, 829, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 7 ILE HG12 53 PHE QE 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 835, 839,
&end
#
# 7 ILE HG12 62 VAL QG1 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 976, 977, 978,
&end
#
# 7 ILE HG13 51 VAL HB 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 111, 799, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 7 ILE HG13 51 VAL HN 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 111, 795, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 7 ILE HG13 51 VAL QG1 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 801, 802, 803,
&end
#
# 7 ILE HG13 53 PHE QE 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 835, 839,
&end
#
# 7 ILE HG13 62 VAL QG1 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 976, 977, 978,
&end
#
# 7 ILE HG13 9 VAL QG2 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 149, 150, 151,
&end
#
# 7 ILE HN 51 VAL HN 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= 100, 795, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 7 ILE HN 7 ILE HG12 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 100, 110, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 7 ILE HN 7 ILE HG13 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 100, 111, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 7 ILE HN 7 ILE QD1 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 113, 114, 115,
&end
#
# 7 ILE HN 7 ILE QG2 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 106, 107, 108,
&end
#
# 7 ILE HN 80 ALA QB 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1276,1277,1278,
&end
#
# 7 ILE QD1 25 PHE QE 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 113, 114, 115,
igr2= 386, 390,
&end
#
# 7 ILE QD1 51 VAL HB 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 113, 114, 115,
&end
#
# 7 ILE QD1 51 VAL HN 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 113, 114, 115,
&end
#
# 7 ILE QD1 53 PHE HZ 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 113, 114, 115,
&end
#
# 7 ILE QD1 53 PHE QD 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 113, 114, 115,
igr2= 833, 841,
&end
#
# 7 ILE QD1 53 PHE QE 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 113, 114, 115,
igr2= 835, 839,
&end
#
# 7 ILE QD1 59 VAL HA 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 113, 114, 115,
&end
#
# 7 ILE QD1 62 VAL HB 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 974, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 113, 114, 115,
&end
#
# 7 ILE QD1 62 VAL QG1 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 113, 114, 115,
igr2= 976, 977, 978,
&end
#
# 7 ILE QD1 62 VAL QG2 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 113, 114, 115,
igr2= 980, 981, 982,
&end
#
# 7 ILE QD1 77 CYS HB2 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1221, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 113, 114, 115,
&end
#
# 7 ILE QD1 77 CYS HB3 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1222, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 113, 114, 115,
&end
#
# 7 ILE QD1 77 CYS QB 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 113, 114, 115,
igr2=1221,1222,
&end
#
# 7 ILE QD1 78 LYS+ HN 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 113, 114, 115,
&end
#
# 7 ILE QD1 80 ALA QB 1.80 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
igr1= 113, 114, 115,
igr2=1276,1277,1278,
&end
#
# 7 ILE QD1 8 PHE HN 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 113, 114, 115,
&end
#
# 7 ILE QG2 53 PHE QD 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 106, 107, 108,
igr2= 833, 841,
&end
#
# 7 ILE QG2 53 PHE QE 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 106, 107, 108,
igr2= 835, 839,
&end
#
# 7 ILE QG2 59 VAL HA 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 106, 107, 108,
&end
#
# 7 ILE QG2 59 VAL QG2 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 106, 107, 108,
igr2= 927, 928, 929,
&end
#
# 7 ILE QG2 62 VAL HB 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 974, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 106, 107, 108,
&end
#
# 7 ILE QG2 77 CYS QB 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 106, 107, 108,
igr2=1221,1222,
&end
#
# 7 ILE QG2 78 LYS+ HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 106, 107, 108,
&end
#
# 7 ILE QG2 79 LYS+ HA 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1252, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 106, 107, 108,
&end
#
# 7 ILE QG2 7 ILE HG12 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 110, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 106, 107, 108,
&end
#
# 7 ILE QG2 80 ALA HN 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1272, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 106, 107, 108,
&end
#
# 7 ILE QG2 80 ALA QB 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 106, 107, 108,
igr2=1276,1277,1278,
&end
#
# 7 ILE QG2 8 PHE HN 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 106, 107, 108,
&end
#
# 8 PHE HA 9 VAL HN 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= 121, 139, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 8 PHE HB2 50 PHE QD 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 783, 791,
&end
#
# 8 PHE HB2 50 PHE QE 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 785, 789,
&end
#
# 8 PHE HB2 78 LYS+ HN 1.80 5.19
&rst
ixpk= 0, nxpk= 0, iat= 123,1228, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 8 PHE HB2 80 ALA QB 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1276,1277,1278,
&end
#
# 8 PHE HB2 9 VAL HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 123, 139, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 8 PHE HB3 78 LYS+ HN 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 124,1228, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 8 PHE HB3 80 ALA QB 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1276,1277,1278,
&end
#
# 8 PHE HB3 9 VAL HN 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 124, 139, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 8 PHE HN 78 LYS+ HN 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 119,1228, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 8 PHE HN 78 LYS+ QB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1232,1233,
&end
#
# 8 PHE HN 79 LYS+ HA 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 119,1252, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 8 PHE HN 80 ALA HN 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 119,1272, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 8 PHE HN 80 ALA QB 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1276,1277,1278,
&end
#
# 8 PHE HN 8 PHE HB2 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 119, 123, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 8 PHE HN 8 PHE HB3 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= 119, 124, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 8 PHE QD 50 PHE QE 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 127, 135,
igr2= 785, 789,
&end
#
# 8 PHE QD 78 LYS+ HN 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 127, 135,
&end
#
# 8 PHE QD 9 VAL HN 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 139, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 127, 135,
&end
#
# 8 PHE QE 10 GLY HN 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 155, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 129, 133,
&end
#
# 8 PHE QE 10 GLY QA 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 129, 133,
igr2= 157, 158,
&end
#
# 9 VAL HA 77 CYS HA 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 141,1219, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 9 VAL HB 12 LEU QD1 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 178, 179, 180,
&end
#
# 9 VAL HB 12 LEU QD2 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 182, 183, 184,
&end
#
# 9 VAL HB 49 GLY HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 143, 768, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 9 VAL HB 77 CYS HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 143,1219, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 VAL HN 48 PHE QB 1.80 5.24
&rst
ixpk= 0, nxpk= 0, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 752, 753,
&end
#
# 9 VAL HN 49 GLY HN 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 139, 768, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 9 VAL HN 50 PHE HA 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 139, 777, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 9 VAL HN 9 VAL HB 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 139, 143, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 9 VAL HN 9 VAL QG1 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 145, 146, 147,
&end
#
# 9 VAL HN 9 VAL QG2 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 149, 150, 151,
&end
#
# 9 VAL QG1 10 GLY HN 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 155, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 145, 146, 147,
&end
#
# 9 VAL QG1 12 LEU HN 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 145, 146, 147,
&end
#
# 9 VAL QG1 12 LEU QD1 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 145, 146, 147,
igr2= 178, 179, 180,
&end
#
# 9 VAL QG1 25 PHE QE 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 145, 146, 147,
igr2= 386, 390,
&end
#
# 9 VAL QG1 49 GLY HN 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 145, 146, 147,
&end
#
# 9 VAL QG1 75 VAL HB 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1190, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 145, 146, 147,
&end
#
# 9 VAL QG1 77 CYS HA 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 145, 146, 147,
&end
#
# 9 VAL QG2 25 PHE QE 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 149, 150, 151,
igr2= 386, 390,
&end
#
# 9 VAL QG2 49 GLY HN 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 149, 150, 151,
&end
#
# 9 VAL QG2 50 PHE HA 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 777, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 149, 150, 151,
&end
#
# 9 VAL QG2 51 VAL HN 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 149, 150, 151,
&end
#
# 9 VAL QG2 77 CYS HA 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 149, 150, 151,
&end
#
# 9 VAL QG2 77 CYS HB2 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1221, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 149, 150, 151,
&end
#
# 9 VAL QG2 77 CYS HB3 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1222, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 149, 150, 151,
&end
#
# 9 VAL QG2 77 CYS QB 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 149, 150, 151,
igr2=1221,1222,
&end
#
# 10 GLY HN 11 GLY HN 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 155, 162, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 10 GLY HN 75 VAL QG1 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 155, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1192,1193,1194,
&end
#
# 10 GLY HN 76 GLU- HN 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 155,1202, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 10 GLY QA 48 PHE HA 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 157, 158,
&end
#
# 10 GLY QA 75 VAL HB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1190, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 157, 158,
&end
#
# 10 GLY QA 75 VAL QG1 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 157, 158,
igr2=1192,1193,1194,
&end
#
# 10 GLY QA 76 GLU- HN 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1202, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 157, 158,
&end
#
# 11 GLY HN 12 LEU HB2 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 162, 173, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 11 GLY HN 12 LEU HN 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat= 162, 169, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 11 GLY HN 48 PHE HA 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 162, 750, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 11 GLY HN 48 PHE QB 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 752, 753,
&end
#
# 12 LEU HA 12 LEU QD1 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 178, 179, 180,
&end
#
# 12 LEU HA 12 LEU QD2 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 182, 183, 184,
&end
#
# 12 LEU HA 13 SER HN 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= 171, 188, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 12 LEU HA 75 VAL QG1 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1192,1193,1194,
&end
#
# 12 LEU HB2 12 LEU QD1 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= 173, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 178, 179, 180,
&end
#
# 12 LEU HB2 12 LEU QD2 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= 173, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 182, 183, 184,
&end
#
# 12 LEU HB2 45 HIS HE1 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 173, 709, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 12 LEU HB2 48 PHE HA 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= 173, 750, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 12 LEU HB2 48 PHE HN 1.80 5.26
&rst
ixpk= 0, nxpk= 0, iat= 173, 748, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 12 LEU HB3 12 LEU QD1 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 174, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 178, 179, 180,
&end
#
# 12 LEU HB3 12 LEU QD2 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 174, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 182, 183, 184,
&end
#
# 12 LEU HB3 13 SER HN 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 174, 188, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 12 LEU HB3 45 HIS HE1 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 174, 709, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 12 LEU HG 75 VAL QG1 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= 176, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1192,1193,1194,
&end
#
# 12 LEU HN 12 LEU HB2 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= 169, 173, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 12 LEU HN 12 LEU HB3 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 169, 174, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 12 LEU HN 12 LEU HG 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= 169, 176, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 12 LEU HN 12 LEU QD1 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 178, 179, 180,
&end
#
# 12 LEU HN 12 LEU QD2 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 182, 183, 184,
&end
#
# 12 LEU QD1 16 THR QG2 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 178, 179, 180,
igr2= 235, 236, 237,
&end
#
# 12 LEU QD1 21 VAL QG1 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 178, 179, 180,
igr2= 306, 307, 308,
&end
#
# 12 LEU QD1 21 VAL QG2 1.80 3.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 178, 179, 180,
igr2= 310, 311, 312,
&end
#
# 12 LEU QD1 45 HIS HE1 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 709, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 178, 179, 180,
&end
#
# 12 LEU QD1 48 PHE HA 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 178, 179, 180,
&end
#
# 12 LEU QD1 48 PHE HN 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 178, 179, 180,
&end
#
# 12 LEU QD1 49 GLY HN 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 178, 179, 180,
&end
#
# 12 LEU QD1 49 GLY QA 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 178, 179, 180,
igr2= 770, 771,
&end
#
# 12 LEU QD2 13 SER HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 188, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 182, 183, 184,
&end
#
# 12 LEU QD2 16 THR QG2 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 182, 183, 184,
igr2= 235, 236, 237,
&end
#
# 12 LEU QD2 21 VAL HA 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 182, 183, 184,
&end
#
# 12 LEU QD2 75 VAL HB 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1,1190, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 182, 183, 184,
&end
#
# 13 SER HB2 14 VAL HN 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 192, 199, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 13 SER HB3 14 VAL HN 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 193, 199, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 13 SER HG 14 VAL HN 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= 195, 199, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 13 SER HN 13 SER HB2 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 188, 192, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 13 SER HN 13 SER HB3 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 188, 193, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 13 SER HN 13 SER HG 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 188, 195, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 13 SER HN 13 SER QB 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 192, 193,
&end
#
# 13 SER HN 16 THR HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 188, 229, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 13 SER HN 73 LYS+ QB 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1151,1152,
&end
#
# 13 SER QB 14 VAL HN 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 192, 193,
&end
#
# 13 SER QB 73 LYS+ QB 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 192, 193,
igr2=1151,1152,
&end
#
# 14 VAL HA 14 VAL QG1 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 205, 206, 207,
&end
#
# 14 VAL HA 14 VAL QG2 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 209, 210, 211,
&end
#
# 14 VAL HA 16 THR HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 201, 229, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 14 VAL HA 45 HIS HE1 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 201, 709, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 14 VAL HN 14 VAL HB 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 199, 203, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 14 VAL HN 14 VAL QG1 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 205, 206, 207,
&end
#
# 14 VAL HN 14 VAL QG2 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 209, 210, 211,
&end
#
# 14 VAL HN 14 VAL QQG 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 205, 206, 207, 209, 210, 211,
&end
#
# 14 VAL HN 15 ASN HA 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= 199, 217, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 14 VAL HN 15 ASN HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 199, 215, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 14 VAL HN 16 THR HN 1.80 5.05
&rst
ixpk= 0, nxpk= 0, iat= 199, 229, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 14 VAL QG1 15 ASN HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 205, 206, 207,
&end
#
# 14 VAL QG2 15 ASN HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 209, 210, 211,
&end
#
# 14 VAL QQG 15 ASN HN 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 205, 206, 207, 209, 210, 211,
&end
#
# 15 ASN HA 15 ASN HD21 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 217, 224, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 15 ASN HA 15 ASN HD22 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 217, 225, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 15 ASN HA 15 ASN QD2 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 224, 225,
&end
#
# 15 ASN HN 15 ASN HA 2.70 100.00
&rst
ixpk= 0, nxpk= 0, iat= 215, 217, r1= 2.20, r2= 2.70, r3=100.00, r4=100.50, &end
#
# 15 ASN HN 15 ASN QB 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 219, 220,
&end
#
# 15 ASN HN 16 THR HN 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 215, 229, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 16 THR HA 16 THR QG2 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 235, 236, 237,
&end
#
# 16 THR HA 17 THR HN 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= 231, 243, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 16 THR HA 17 THR QG2 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 249, 250, 251,
&end
#
# 16 THR HA 71 ASN HD21 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 231,1128, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 16 THR HA 71 ASN HD22 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 231,1129, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 16 THR HA 71 ASN QD2 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=1128,1129,
&end
#
# 16 THR HB 17 THR HN 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 233, 243, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 16 THR HN 16 THR HB 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 229, 233, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 16 THR HN 16 THR QG2 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 235, 236, 237,
&end
#
# 16 THR QG2 17 THR HN 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 235, 236, 237,
&end
#
# 16 THR QG2 20 ASP- HB2 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 235, 236, 237,
&end
#
# 16 THR QG2 20 ASP- HB3 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 293, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 235, 236, 237,
&end
#
# 16 THR QG2 20 ASP- HN 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 235, 236, 237,
&end
#
# 16 THR QG2 20 ASP- QB 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1= 235, 236, 237,
igr2= 292, 293,
&end
#
# 16 THR QG2 21 VAL HA 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 235, 236, 237,
&end
#
# 16 THR QG2 21 VAL HB 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 235, 236, 237,
&end
#
# 16 THR QG2 21 VAL HN 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 300, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 235, 236, 237,
&end
#
# 16 THR QG2 21 VAL QG2 1.80 2.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 235, 236, 237,
igr2= 310, 311, 312,
&end
#
# 16 THR QG2 70 ILE QD1 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 235, 236, 237,
igr2=1113,1114,1115,
&end
#
# 16 THR QG2 70 ILE QG2 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 235, 236, 237,
igr2=1106,1107,1108,
&end
#
# 16 THR QG2 71 ASN HD21 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1128, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 235, 236, 237,
&end
#
# 16 THR QG2 71 ASN HD22 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 235, 236, 237,
&end
#
# 16 THR QG2 71 ASN QD2 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 235, 236, 237,
igr2=1128,1129,
&end
#
# 17 THR HA 18 VAL HN 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= 245, 257, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 17 THR HA 18 VAL QG1 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 263, 264, 265,
&end
#
# 17 THR HA 19 GLU- HN 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 245, 273, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 17 THR HA 20 ASP- HN 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat= 245, 288, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 17 THR HB 18 VAL QG1 1.80 5.26
&rst
ixpk= 0, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2= 263, 264, 265,
&end
#
# 17 THR HB 19 GLU- HN 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= 247, 273, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 17 THR HB 20 ASP- HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 247, 288, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 17 THR HN 17 THR QG2 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 249, 250, 251,
&end
#
# 17 THR HN 20 ASP- HB2 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 243, 292, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 17 THR HN 20 ASP- HB3 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 243, 293, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 17 THR HN 20 ASP- HN 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 243, 288, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 17 THR HN 20 ASP- QB 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 292, 293,
&end
#
# 17 THR HN 21 VAL HN 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= 243, 300, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 17 THR HN 70 ILE QG2 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1106,1107,1108,
&end
#
# 17 THR HN 71 ASN HD21 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 243,1128, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 17 THR HN 71 ASN HD22 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 243,1129, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 17 THR QG2 18 VAL HN 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 249, 250, 251,
&end
#
# 17 THR QG2 19 GLU- HN 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 249, 250, 251,
&end
#
# 17 THR QG2 20 ASP- HN 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 249, 250, 251,
&end
#
# 18 VAL HA 18 VAL QG1 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 263, 264, 265,
&end
#
# 18 VAL HA 18 VAL QG2 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2= 267, 268, 269,
&end
#
# 18 VAL HA 20 ASP- HN 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 259, 288, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 18 VAL HA 21 VAL HB 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= 259, 304, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 18 VAL HA 21 VAL HN 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 259, 300, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 18 VAL HA 21 VAL QG2 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 310, 311, 312,
&end
#
# 18 VAL HA 22 LYS+ HN 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 259, 316, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 18 VAL HA 36 LEU HG 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 259, 551, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 18 VAL HA 36 LEU QD1 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 553, 554, 555,
&end
#
# 18 VAL HA 36 LEU QD2 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 557, 558, 559,
&end
#
# 18 VAL HB 19 GLU- HN 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 261, 273, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 18 VAL HB 36 LEU HG 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 261, 551, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 18 VAL HB 36 LEU QB 1.80 5.27
&rst
ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 548, 549,
&end
#
# 18 VAL HB 36 LEU QD1 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 553, 554, 555,
&end
#
# 18 VAL HB 36 LEU QD2 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 557, 558, 559,
&end
#
# 18 VAL HN 18 VAL HB 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= 257, 261, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 18 VAL HN 18 VAL QG1 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 263, 264, 265,
&end
#
# 18 VAL HN 18 VAL QG2 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 267, 268, 269,
&end
#
# 18 VAL HN 19 GLU- HN 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 257, 273, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 18 VAL HN 20 ASP- HN 1.80 5.21
&rst
ixpk= 0, nxpk= 0, iat= 257, 288, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 18 VAL HN 36 LEU QD1 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 553, 554, 555,
&end
#
# 18 VAL QG1 19 GLU- HA 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 263, 264, 265,
&end
#
# 18 VAL QG1 19 GLU- HG2 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 280, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 263, 264, 265,
&end
#
# 18 VAL QG1 19 GLU- HG3 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 281, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 263, 264, 265,
&end
#
# 18 VAL QG1 19 GLU- HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 263, 264, 265,
&end
#
# 18 VAL QG1 19 GLU- QG 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 263, 264, 265,
igr2= 280, 281,
&end
#
# 18 VAL QG1 22 LYS+ HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 263, 264, 265,
&end
#
# 18 VAL QG1 36 LEU HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 263, 264, 265,
&end
#
# 18 VAL QG2 19 GLU- HA 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 267, 268, 269,
&end
#
# 18 VAL QG2 19 GLU- HN 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 267, 268, 269,
&end
#
# 18 VAL QG2 21 VAL HB 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 267, 268, 269,
&end
#
# 18 VAL QG2 22 LYS+ HN 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 267, 268, 269,
&end
#
# 18 VAL QG2 34 ALA HN 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 267, 268, 269,
&end
#
# 18 VAL QG2 35 MET HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 267, 268, 269,
&end
#
# 18 VAL QG2 35 MET HN 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 267, 268, 269,
&end
#
# 18 VAL QG2 35 MET QG 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 267, 268, 269,
igr2= 534, 535,
&end
#
# 18 VAL QG2 36 LEU HG 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 551, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 267, 268, 269,
&end
#
# 18 VAL QG2 36 LEU HN 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 267, 268, 269,
&end
#
# 18 VAL QG2 36 LEU QD1 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 267, 268, 269,
igr2= 553, 554, 555,
&end
#
# 18 VAL QG2 36 LEU QD2 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 267, 268, 269,
igr2= 557, 558, 559,
&end
#
# 19 GLU- HA 19 GLU- HG2 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 275, 280, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 19 GLU- HA 19 GLU- HG3 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 275, 281, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 19 GLU- HA 19 GLU- QG 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 280, 281,
&end
#
# 19 GLU- HA 22 LYS+ HN 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 275, 316, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 19 GLU- HA 22 LYS+ QB 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 320, 321,
&end
#
# 19 GLU- HA 22 LYS+ QD 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 326, 327,
&end
#
# 19 GLU- HA 23 HIS HN 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 275, 338, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 19 GLU- HB2 20 ASP- HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 277, 288, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 19 GLU- HB3 20 ASP- HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 278, 288, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 19 GLU- HN 19 GLU- HB2 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 273, 277, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 19 GLU- HN 19 GLU- HB3 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 273, 278, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 19 GLU- HN 19 GLU- HG2 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 273, 280, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 19 GLU- HN 19 GLU- HG3 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 273, 281, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 19 GLU- HN 19 GLU- QB 1.80 2.98
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2= 277, 278,
&end
#
# 19 GLU- HN 19 GLU- QG 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 280, 281,
&end
#
# 19 GLU- HN 20 ASP- HN 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= 273, 288, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 19 GLU- HN 21 VAL HN 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 273, 300, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 19 GLU- QB 20 ASP- HN 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 277, 278,
&end
#
# 19 GLU- QG 20 ASP- HN 1.80 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 280, 281,
&end
#
# 20 ASP- HA 23 HIS HB2 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 290, 342, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 20 ASP- HA 23 HIS HB3 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 290, 343, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 20 ASP- HA 23 HIS QB 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 342, 343,
&end
#
# 20 ASP- HA 24 TYR HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 290, 355, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 20 ASP- HB2 21 VAL HN 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 292, 300, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 20 ASP- HB2 21 VAL QG2 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 310, 311, 312,
&end
#
# 20 ASP- HB2 70 ILE QG2 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1106,1107,1108,
&end
#
# 20 ASP- HB3 21 VAL HN 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 293, 300, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 20 ASP- HB3 21 VAL QG2 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 310, 311, 312,
&end
#
# 20 ASP- HB3 70 ILE QG2 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1106,1107,1108,
&end
#
# 20 ASP- HN 20 ASP- HB2 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 288, 292, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 20 ASP- HN 20 ASP- HB3 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 288, 293, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 20 ASP- HN 20 ASP- QB 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 292, 293,
&end
#
# 20 ASP- HN 21 VAL HB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 288, 304, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASP- HN 21 VAL HN 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 288, 300, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 20 ASP- QB 21 VAL HA 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 292, 293,
&end
#
# 20 ASP- QB 21 VAL HN 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 300, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1= 292, 293,
&end
#
# 20 ASP- QB 21 VAL QG2 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 292, 293,
igr2= 310, 311, 312,
&end
#
# 21 VAL HA 21 VAL QG1 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 306, 307, 308,
&end
#
# 21 VAL HA 21 VAL QG2 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 310, 311, 312,
&end
#
# 21 VAL HA 23 HIS HN 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= 302, 338, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 21 VAL HA 24 TYR HB2 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 302, 359, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 21 VAL HA 24 TYR HB3 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 302, 360, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 21 VAL HA 24 TYR HN 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 302, 355, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 21 VAL HA 24 TYR QB 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 359, 360,
&end
#
# 21 VAL HA 70 ILE QD1 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1113,1114,1115,
&end
#
# 21 VAL HA 70 ILE QG2 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1106,1107,1108,
&end
#
# 21 VAL HB 22 LYS+ HN 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= 304, 316, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 21 VAL HB 34 ALA QB 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 521, 522, 523,
&end
#
# 21 VAL HB 36 LEU QD1 1.80 5.25
&rst
ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 553, 554, 555,
&end
#
# 21 VAL HB 36 LEU QD2 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 557, 558, 559,
&end
#
# 21 VAL HN 21 VAL HB 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat= 300, 304, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 21 VAL HN 21 VAL QG2 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2= 310, 311, 312,
&end
#
# 21 VAL HN 22 LYS+ HN 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 300, 316, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 21 VAL HN 70 ILE QD1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1113,1114,1115,
&end
#
# 21 VAL QG1 22 LYS+ HA 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 306, 307, 308,
&end
#
# 21 VAL QG1 22 LYS+ HN 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 306, 307, 308,
&end
#
# 21 VAL QG1 25 PHE HN 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 306, 307, 308,
&end
#
# 21 VAL QG1 25 PHE QD 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 306, 307, 308,
igr2= 384, 392,
&end
#
# 21 VAL QG1 25 PHE QE 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 306, 307, 308,
igr2= 386, 390,
&end
#
# 21 VAL QG1 36 LEU QD2 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 306, 307, 308,
igr2= 557, 558, 559,
&end
#
# 21 VAL QG1 51 VAL QG2 1.80 2.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 306, 307, 308,
igr2= 805, 806, 807,
&end
#
# 21 VAL QG1 70 ILE QD1 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 306, 307, 308,
igr2=1113,1114,1115,
&end
#
# 21 VAL QG2 22 LYS+ HN 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 310, 311, 312,
&end
#
# 21 VAL QG2 36 LEU QD2 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
igr1= 310, 311, 312,
igr2= 557, 558, 559,
&end
#
# 21 VAL QG2 70 ILE QD1 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 310, 311, 312,
igr2=1113,1114,1115,
&end
#
# 21 VAL QG2 70 ILE QG2 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 310, 311, 312,
igr2=1106,1107,1108,
&end
#
# 22 LYS+ HA 22 LYS+ QG 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 323, 324,
&end
#
# 22 LYS+ HA 25 PHE HN 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 318, 376, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 22 LYS+ HA 31 VAL QG1 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 483, 484, 485,
&end
#
# 22 LYS+ HA 31 VAL QG2 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 487, 488, 489,
&end
#
# 22 LYS+ HA 34 ALA QB 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 521, 522, 523,
&end
#
# 22 LYS+ HG2 22 LYS+ QE 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 329, 330,
&end
#
# 22 LYS+ HG2 31 VAL HB 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= 323, 481, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 22 LYS+ HG3 22 LYS+ QE 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 329, 330,
&end
#
# 22 LYS+ HG3 31 VAL HB 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= 324, 481, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 22 LYS+ HN 22 LYS+ HB2 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 316, 320, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 22 LYS+ HN 22 LYS+ HB3 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 316, 321, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 22 LYS+ HN 22 LYS+ HG2 1.80 5.24
&rst
ixpk= 0, nxpk= 0, iat= 316, 323, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 22 LYS+ HN 22 LYS+ HG3 1.80 5.24
&rst
ixpk= 0, nxpk= 0, iat= 316, 324, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 22 LYS+ HN 22 LYS+ QG 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 323, 324,
&end
#
# 22 LYS+ HN 34 ALA QB 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 521, 522, 523,
&end
#
# 22 LYS+ QB 23 HIS HN 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 320, 321,
&end
#
# 22 LYS+ QB 31 VAL QG1 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 320, 321,
igr2= 483, 484, 485,
&end
#
# 22 LYS+ QB 34 ALA HN 1.80 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 320, 321,
&end
#
# 22 LYS+ QB 34 ALA QB 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 320, 321,
igr2= 521, 522, 523,
&end
#
# 22 LYS+ QD 22 LYS+ QE 1.80 2.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1= 326, 327,
igr2= 329, 330,
&end
#
# 22 LYS+ QD 23 HIS HN 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 326, 327,
&end
#
# 22 LYS+ QD 31 VAL QG1 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 326, 327,
igr2= 483, 484, 485,
&end
#
# 22 LYS+ QD 34 ALA HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 326, 327,
&end
#
# 22 LYS+ QE 31 VAL HB 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 481, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 329, 330,
&end
#
# 22 LYS+ QE 31 VAL QG1 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 329, 330,
igr2= 483, 484, 485,
&end
#
# 22 LYS+ QE 34 ALA QB 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 329, 330,
igr2= 521, 522, 523,
&end
#
# 22 LYS+ QG 22 LYS+ QE 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1= 323, 324,
igr2= 329, 330,
&end
#
# 22 LYS+ QG 23 HIS HN 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 323, 324,
&end
#
# 22 LYS+ QG 31 VAL HB 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 481, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 323, 324,
&end
#
# 22 LYS+ QG 31 VAL QG1 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 323, 324,
igr2= 483, 484, 485,
&end
#
# 23 HIS HA 23 HIS HD2 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 340, 351, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 23 HIS HA 26 GLU- HN 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 340, 396, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 23 HIS HB2 24 TYR HN 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 342, 355, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 23 HIS HB3 24 TYR HN 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 343, 355, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 23 HIS HN 23 HIS HB2 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 338, 342, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 23 HIS HN 23 HIS HB3 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 338, 343, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 23 HIS HN 23 HIS QB 1.80 2.93
&rst
ixpk= 0, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 342, 343,
&end
#
# 23 HIS HN 24 TYR HN 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= 338, 355, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 23 HIS QB 24 TYR HN 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 342, 343,
&end
#
# 24 TYR HA 27 GLN QE2 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 423, 424,
&end
#
# 24 TYR HB2 25 PHE HN 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 359, 376, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 24 TYR HB2 70 ILE QD1 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1113,1114,1115,
&end
#
# 24 TYR HB3 25 PHE HN 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 360, 376, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 24 TYR HB3 70 ILE QD1 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1113,1114,1115,
&end
#
# 24 TYR HN 24 TYR HB2 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= 355, 359, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 24 TYR HN 24 TYR HB3 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= 355, 360, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 24 TYR HN 24 TYR QB 1.80 2.96
&rst
ixpk= 0, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2= 359, 360,
&end
#
# 24 TYR HN 25 PHE HN 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= 355, 376, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 24 TYR HN 26 GLU- HN 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 355, 396, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 24 TYR QB 25 PHE HN 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1= 359, 360,
&end
#
# 24 TYR QB 70 ILE QG2 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 359, 360,
igr2=1106,1107,1108,
&end
#
# 25 PHE HA 25 PHE QD 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 384, 392,
&end
#
# 25 PHE HA 27 GLN HN 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 378, 411, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 25 PHE HA 28 PHE QD 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 436, 444,
&end
#
# 25 PHE HA 28 PHE QE 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 438, 442,
&end
#
# 25 PHE HB2 26 GLU- HN 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 380, 396, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 25 PHE HB2 31 VAL QG1 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 483, 484, 485,
&end
#
# 25 PHE HB2 31 VAL QG2 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 487, 488, 489,
&end
#
# 25 PHE HB2 51 VAL QG1 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 801, 802, 803,
&end
#
# 25 PHE HB2 53 PHE HZ 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 380, 837, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 25 PHE HB2 53 PHE QE 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2= 835, 839,
&end
#
# 25 PHE HB3 31 VAL QG1 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 483, 484, 485,
&end
#
# 25 PHE HB3 31 VAL QG2 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 487, 488, 489,
&end
#
# 25 PHE HB3 51 VAL QG1 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 801, 802, 803,
&end
#
# 25 PHE HB3 53 PHE HZ 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 381, 837, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 25 PHE HB3 53 PHE QE 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 835, 839,
&end
#
# 25 PHE HB3 62 VAL QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 980, 981, 982,
&end
#
# 25 PHE HN 25 PHE HB2 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= 376, 380, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 25 PHE HN 25 PHE HB3 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 376, 381, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 25 PHE HN 25 PHE QD 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 384, 392,
&end
#
# 25 PHE HN 26 GLU- HN 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= 376, 396, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 25 PHE HN 26 GLU- QB 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 400, 401,
&end
#
# 25 PHE HN 31 VAL QG2 1.80 5.14
&rst
ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 487, 488, 489,
&end
#
# 25 PHE QD 51 VAL QG1 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 384, 392,
igr2= 801, 802, 803,
&end
#
# 25 PHE QD 51 VAL QG2 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 384, 392,
igr2= 805, 806, 807,
&end
#
# 25 PHE QD 53 PHE HZ 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 384, 392,
&end
#
# 25 PHE QD 62 VAL QG1 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 384, 392,
igr2= 976, 977, 978,
&end
#
# 25 PHE QD 62 VAL QG2 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 384, 392,
igr2= 980, 981, 982,
&end
#
# 25 PHE QD 70 ILE QD1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 384, 392,
igr2=1113,1114,1115,
&end
#
# 25 PHE QE 51 VAL QG2 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 386, 390,
igr2= 805, 806, 807,
&end
#
# 25 PHE QE 53 PHE HZ 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 386, 390,
&end
#
# 25 PHE QE 62 VAL HB 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 974, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 386, 390,
&end
#
# 25 PHE QE 62 VAL QG1 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 386, 390,
igr2= 976, 977, 978,
&end
#
# 25 PHE QE 70 ILE QD1 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 386, 390,
igr2=1113,1114,1115,
&end
#
# 26 GLU- HA 26 GLU- HG2 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 398, 403, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 26 GLU- HA 26 GLU- HG3 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 398, 404, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 26 GLU- HA 28 PHE HN 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 398, 428, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 26 GLU- HA 29 GLY HN 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 398, 448, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 26 GLU- HA 31 VAL HN 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 398, 477, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 26 GLU- HA 31 VAL QG2 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 487, 488, 489,
&end
#
# 26 GLU- HB2 27 GLN HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 400, 411, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 26 GLU- HB3 27 GLN HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 401, 411, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 26 GLU- HG2 31 VAL QG2 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 487, 488, 489,
&end
#
# 26 GLU- HG3 31 VAL QG2 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 487, 488, 489,
&end
#
# 26 GLU- HN 26 GLU- HB2 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 396, 400, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 26 GLU- HN 26 GLU- HB3 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 396, 401, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 26 GLU- HN 26 GLU- HG2 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 396, 403, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 26 GLU- HN 26 GLU- HG3 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 396, 404, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 26 GLU- HN 26 GLU- QB 1.80 3.11
&rst
ixpk= 0, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 400, 401,
&end
#
# 26 GLU- HN 26 GLU- QG 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 403, 404,
&end
#
# 26 GLU- HN 27 GLN HN 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 396, 411, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 GLU- HN 31 VAL QG2 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 487, 488, 489,
&end
#
# 26 GLU- QB 27 GLN HN 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 400, 401,
&end
#
# 26 GLU- QG 31 VAL HN 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 403, 404,
&end
#
# 26 GLU- QG 31 VAL QG1 1.80 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 403, 404,
igr2= 483, 484, 485,
&end
#
# 27 GLN HA 27 GLN QG 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 418, 419,
&end
#
# 27 GLN HN 27 GLN HE21 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= 411, 423, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 27 GLN HN 27 GLN HE22 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= 411, 424, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 27 GLN HN 27 GLN HG2 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 411, 418, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 27 GLN HN 27 GLN HG3 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 411, 419, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 27 GLN HN 27 GLN QB 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 415, 416,
&end
#
# 27 GLN HN 27 GLN QE2 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 423, 424,
&end
#
# 27 GLN HN 28 PHE HN 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= 411, 428, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 27 GLN HN 29 GLY HN 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 411, 448, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 27 GLN QB 27 GLN HE21 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 415, 416,
&end
#
# 27 GLN QB 27 GLN HE22 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 415, 416,
&end
#
# 27 GLN QB 27 GLN QE2 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 415, 416,
igr2= 423, 424,
&end
#
# 27 GLN QB 28 PHE HN 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 415, 416,
&end
#
# 27 GLN QG 27 GLN QE2 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 418, 419,
igr2= 423, 424,
&end
#
# 27 GLN QG 28 PHE HN 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 418, 419,
&end
#
# 28 PHE HA 28 PHE QD 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 436, 444,
&end
#
# 28 PHE HA 58 ILE QG2 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 904, 905, 906,
&end
#
# 28 PHE HN 28 PHE QB 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 432, 433,
&end
#
# 28 PHE HN 28 PHE QD 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 436, 444,
&end
#
# 28 PHE HN 28 PHE QE 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 438, 442,
&end
#
# 28 PHE HN 29 GLY HN 1.80 3.03
&rst
ixpk= 0, nxpk= 0, iat= 428, 448, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 28 PHE HN 58 ILE QG2 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 904, 905, 906,
&end
#
# 28 PHE QB 29 GLY HN 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 432, 433,
&end
#
# 28 PHE QB 58 ILE QD1 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 432, 433,
igr2= 911, 912, 913,
&end
#
# 28 PHE QB 58 ILE QG2 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 432, 433,
igr2= 904, 905, 906,
&end
#
# 28 PHE QB 62 VAL QG2 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 432, 433,
igr2= 980, 981, 982,
&end
#
# 28 PHE QD 58 ILE QG2 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 436, 444,
igr2= 904, 905, 906,
&end
#
# 28 PHE QD 62 VAL QG1 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 436, 444,
igr2= 976, 977, 978,
&end
#
# 28 PHE QD 62 VAL QG2 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 436, 444,
igr2= 980, 981, 982,
&end
#
# 28 PHE QD 65 ILE QD1 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 436, 444,
igr2=1025,1026,1027,
&end
#
# 28 PHE QE 62 VAL QG1 1.80 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 438, 442,
igr2= 976, 977, 978,
&end
#
# 28 PHE QE 62 VAL QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 438, 442,
igr2= 980, 981, 982,
&end
#
# 28 PHE QE 65 ILE QD1 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 438, 442,
igr2=1025,1026,1027,
&end
#
# 29 GLY HA2 30 LYS+ HN 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 450, 455, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 29 GLY HA2 58 ILE QD1 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 911, 912, 913,
&end
#
# 29 GLY HA2 58 ILE QG1 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 908, 909,
&end
#
# 29 GLY HA2 58 ILE QG2 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 904, 905, 906,
&end
#
# 29 GLY HA3 30 LYS+ HN 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= 451, 455, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 29 GLY HA3 58 ILE HB 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 451, 902, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 29 GLY HA3 58 ILE QD1 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 911, 912, 913,
&end
#
# 29 GLY HA3 58 ILE QG1 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 908, 909,
&end
#
# 29 GLY HA3 58 ILE QG2 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 904, 905, 906,
&end
#
# 29 GLY HN 31 VAL QG2 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 487, 488, 489,
&end
#
# 29 GLY HN 53 PHE QE 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 835, 839,
&end
#
# 29 GLY HN 58 ILE QD1 1.80 5.08
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 911, 912, 913,
&end
#
# 29 GLY HN 58 ILE QG2 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 904, 905, 906,
&end
#
# 30 LYS+ HA 31 VAL HB 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= 457, 481, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 30 LYS+ HA 31 VAL HN 1.80 2.83
&rst
ixpk= 0, nxpk= 0, iat= 457, 477, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 30 LYS+ HA 31 VAL QG2 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 487, 488, 489,
&end
#
# 30 LYS+ HG2 31 VAL HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 462, 477, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 30 LYS+ HG3 31 VAL HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 463, 477, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 30 LYS+ HN 30 LYS+ QB 1.80 2.92
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 459, 460,
&end
#
# 30 LYS+ HN 30 LYS+ QG 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 462, 463,
&end
#
# 30 LYS+ HN 31 VAL HN 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 455, 477, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 30 LYS+ HN 31 VAL QG2 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 487, 488, 489,
&end
#
# 30 LYS+ HN 58 ILE QD1 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2= 911, 912, 913,
&end
#
# 30 LYS+ HN 58 ILE QG1 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 908, 909,
&end
#
# 30 LYS+ HN 58 ILE QG2 1.80 5.25
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 904, 905, 906,
&end
#
# 30 LYS+ QB 31 VAL HN 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 459, 460,
&end
#
# 30 LYS+ QB 54 GLU- HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 459, 460,
&end
#
# 30 LYS+ QB 54 GLU- QB 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 459, 460,
igr2= 849, 850,
&end
#
# 30 LYS+ QB 54 GLU- QG 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 459, 460,
igr2= 852, 853,
&end
#
# 30 LYS+ QB 55 SER HN 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 459, 460,
&end
#
# 31 VAL HA 31 VAL QG1 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 483, 484, 485,
&end
#
# 31 VAL HA 31 VAL QG2 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 487, 488, 489,
&end
#
# 31 VAL HA 32 ASP- HN 1.80 2.99
&rst
ixpk= 0, nxpk= 0, iat= 479, 493, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 31 VAL HA 33 ASP- HN 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 479, 505, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 31 VAL HA 53 PHE HA 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 479, 827, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 31 VAL HA 53 PHE QD 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 833, 841,
&end
#
# 31 VAL HA 54 GLU- HN 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 479, 845, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 31 VAL HN 31 VAL HB 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= 477, 481, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 31 VAL HN 31 VAL QG1 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 483, 484, 485,
&end
#
# 31 VAL HN 31 VAL QG2 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 487, 488, 489,
&end
#
# 31 VAL HN 32 ASP- HN 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 477, 493, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 31 VAL QG1 32 ASP- HN 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 483, 484, 485,
&end
#
# 31 VAL QG1 33 ASP- HN 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 505, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 483, 484, 485,
&end
#
# 31 VAL QG1 33 ASP- QB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 483, 484, 485,
igr2= 509, 510,
&end
#
# 31 VAL QG1 34 ALA HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 483, 484, 485,
&end
#
# 31 VAL QG1 34 ALA QB 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 483, 484, 485,
igr2= 521, 522, 523,
&end
#
# 31 VAL QG1 51 VAL QG1 1.80 2.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1= 483, 484, 485,
igr2= 801, 802, 803,
&end
#
# 31 VAL QG1 52 THR HN 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 483, 484, 485,
&end
#
# 31 VAL QG1 53 PHE QD 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 483, 484, 485,
igr2= 833, 841,
&end
#
# 31 VAL QG2 32 ASP- HN 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 487, 488, 489,
&end
#
# 31 VAL QG2 51 VAL QG1 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 487, 488, 489,
igr2= 801, 802, 803,
&end
#
# 31 VAL QG2 53 PHE QD 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 487, 488, 489,
igr2= 833, 841,
&end
#
# 31 VAL QG2 53 PHE QE 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 487, 488, 489,
igr2= 835, 839,
&end
#
# 32 ASP- HB2 33 ASP- HN 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 497, 505, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 32 ASP- HB2 52 THR HB 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 497, 815, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 32 ASP- HB2 52 THR QG2 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 817, 818, 819,
&end
#
# 32 ASP- HB3 33 ASP- HN 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 498, 505, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 32 ASP- HB3 52 THR HB 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 498, 815, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 32 ASP- HB3 52 THR QG2 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 817, 818, 819,
&end
#
# 32 ASP- HN 32 ASP- HB2 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 493, 497, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 32 ASP- HN 32 ASP- HB3 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 493, 498, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 32 ASP- HN 32 ASP- QB 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 497, 498,
&end
#
# 32 ASP- HN 33 ASP- HN 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat= 493, 505, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 32 ASP- HN 52 THR HB 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 493, 815, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 32 ASP- HN 53 PHE HA 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 493, 827, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 32 ASP- HN 54 GLU- HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 493, 845, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 32 ASP- QB 53 PHE HN 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 497, 498,
&end
#
# 33 ASP- HA 34 ALA HN 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat= 507, 517, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 33 ASP- HB2 34 ALA HN 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 509, 517, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 33 ASP- HB3 34 ALA HN 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 510, 517, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 33 ASP- HN 33 ASP- HB2 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 505, 509, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 33 ASP- HN 33 ASP- HB3 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 505, 510, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 33 ASP- HN 33 ASP- QB 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 509, 510,
&end
#
# 33 ASP- HN 34 ALA HN 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 505, 517, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 33 ASP- HN 34 ALA QB 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 521, 522, 523,
&end
#
# 33 ASP- HN 52 THR HB 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= 505, 815, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 33 ASP- HN 52 THR HN 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 505, 811, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 33 ASP- HN 52 THR QG2 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 817, 818, 819,
&end
#
# 33 ASP- HN 53 PHE HA 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 505, 827, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 33 ASP- QB 34 ALA HN 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 509, 510,
&end
#
# 33 ASP- QB 52 THR HB 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 815, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr1= 509, 510,
&end
#
# 33 ASP- QB 52 THR HN 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 509, 510,
&end
#
# 34 ALA HA 35 MET HN 1.80 3.11
&rst
ixpk= 0, nxpk= 0, iat= 519, 527, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 34 ALA HN 34 ALA QB 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 521, 522, 523,
&end
#
# 34 ALA QB 35 MET HN 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 521, 522, 523,
&end
#
# 34 ALA QB 51 VAL HA 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 521, 522, 523,
&end
#
# 34 ALA QB 51 VAL QG1 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 521, 522, 523,
igr2= 801, 802, 803,
&end
#
# 34 ALA QB 51 VAL QG2 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 521, 522, 523,
igr2= 805, 806, 807,
&end
#
# 34 ALA QB 52 THR HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 521, 522, 523,
&end
#
# 35 MET HA 36 LEU HN 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= 529, 544, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 35 MET HA 36 LEU QD1 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 553, 554, 555,
&end
#
# 35 MET HN 35 MET QB 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 531, 532,
&end
#
# 35 MET HN 35 MET QG 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 534, 535,
&end
#
# 35 MET HN 51 VAL QG2 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 805, 806, 807,
&end
#
# 35 MET QB 36 LEU HN 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 531, 532,
&end
#
# 35 MET QG 36 LEU HN 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 534, 535,
&end
#
# 36 LEU HA 36 LEU QD2 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 557, 558, 559,
&end
#
# 36 LEU HA 37 MET HN 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= 546, 563, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 36 LEU HA 49 GLY QA 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 770, 771,
&end
#
# 36 LEU HA 50 PHE HN 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 546, 775, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 36 LEU HB2 36 LEU QD1 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 553, 554, 555,
&end
#
# 36 LEU HB2 37 MET HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 548, 563, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 36 LEU HB3 36 LEU QD1 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 553, 554, 555,
&end
#
# 36 LEU HB3 37 MET HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 549, 563, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 36 LEU HN 36 LEU HB2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 544, 548, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 36 LEU HN 36 LEU HB3 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 544, 549, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 36 LEU HN 36 LEU HG 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 544, 551, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 36 LEU HN 36 LEU QB 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 548, 549,
&end
#
# 36 LEU HN 36 LEU QD2 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 557, 558, 559,
&end
#
# 36 LEU QB 37 MET HN 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 548, 549,
&end
#
# 36 LEU QB 38 PHE QE 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 548, 549,
igr2= 590, 594,
&end
#
# 36 LEU QD1 38 PHE HZ 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 592, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 553, 554, 555,
&end
#
# 36 LEU QD1 38 PHE QE 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 553, 554, 555,
igr2= 590, 594,
&end
#
# 36 LEU QD1 45 HIS HD2 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 713, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 553, 554, 555,
&end
#
# 36 LEU QD2 37 MET HN 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 557, 558, 559,
&end
#
# 36 LEU QD2 48 PHE HN 1.80 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 557, 558, 559,
&end
#
# 36 LEU QD2 49 GLY HA2 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 557, 558, 559,
&end
#
# 36 LEU QD2 49 GLY HA3 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 771, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 557, 558, 559,
&end
#
# 36 LEU QD2 49 GLY HN 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 557, 558, 559,
&end
#
# 36 LEU QD2 49 GLY QA 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 557, 558, 559,
igr2= 770, 771,
&end
#
# 36 LEU QD2 50 PHE HN 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 775, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 557, 558, 559,
&end
#
# 36 LEU QQD 45 HIS HD2 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 713, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 553, 554, 555, 557, 558, 559,
&end
#
# 37 MET HN 37 MET HB2 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 563, 567, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 37 MET HN 37 MET HB3 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 563, 568, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 37 MET HN 37 MET QB 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 567, 568,
&end
#
# 37 MET HN 37 MET QG 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 570, 571,
&end
#
# 37 MET HN 49 GLY HA2 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 563, 770, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 37 MET HN 49 GLY HA3 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 563, 771, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 37 MET HN 49 GLY QA 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 770, 771,
&end
#
# 37 MET QB 38 PHE HN 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 567, 568,
&end
#
# 37 MET QG 49 GLY QA 1.80 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 570, 571,
igr2= 770, 771,
&end
#
# 38 PHE HB2 39 ASP- HN 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 584, 600, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 38 PHE HB3 39 ASP- HN 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 585, 600, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 38 PHE HN 38 PHE HB2 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 580, 584, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 38 PHE HN 38 PHE HB3 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 580, 585, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 38 PHE HN 38 PHE QB 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 584, 585,
&end
#
# 38 PHE HN 38 PHE QD 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 588, 596,
&end
#
# 38 PHE HN 39 ASP- HN 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat= 580, 600, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 38 PHE QB 39 ASP- HN 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 584, 585,
&end
#
# 39 ASP- HA 40 LYS+ HN 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 602, 612, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 39 ASP- HA 41 THR HN 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 602, 634, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 39 ASP- HN 40 LYS+ HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 600, 612, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 ASP- HN 46 ARG+ HN 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat= 600, 717, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 39 ASP- HN 46 ARG+ QG 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 724, 725,
&end
#
# 39 ASP- QB 42 THR HN 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 604, 605,
&end
#
# 39 ASP- QB 44 ARG+ HN 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 676, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 604, 605,
&end
#
# 39 ASP- QB 44 ARG+ QG 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 604, 605,
igr2= 683, 684,
&end
#
# 39 ASP- QB 46 ARG+ QG 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 604, 605,
igr2= 724, 725,
&end
#
# 40 LYS+ HA 40 LYS+ QD 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 622, 623,
&end
#
# 40 LYS+ HA 40 LYS+ QG 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 619, 620,
&end
#
# 40 LYS+ HA 43 ASN HA 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 614, 664, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 40 LYS+ HA 43 ASN HN 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 614, 662, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 40 LYS+ HN 40 LYS+ QB 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 616, 617,
&end
#
# 40 LYS+ HN 40 LYS+ QG 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 619, 620,
&end
#
# 40 LYS+ HN 41 THR HN 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 612, 634, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 40 LYS+ QB 41 THR HN 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 616, 617,
&end
#
# 40 LYS+ QB 42 THR HN 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 616, 617,
&end
#
# 40 LYS+ QB 43 ASN HN 1.80 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 616, 617,
&end
#
# 40 LYS+ QG 40 LYS+ QD 1.80 2.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,
igr1= 619, 620,
igr2= 622, 623,
&end
#
# 41 THR HA 41 THR QG2 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 640, 641, 642,
&end
#
# 41 THR HB 42 THR HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 638, 648, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 41 THR HB 42 THR QG2 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 638, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 654, 655, 656,
&end
#
# 41 THR HN 41 THR QG2 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 640, 641, 642,
&end
#
# 41 THR HN 42 THR HN 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat= 634, 648, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 41 THR HN 43 ASN HN 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 634, 662, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 41 THR QG2 42 THR HN 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 640, 641, 642,
&end
#
# 42 THR HA 42 THR QG2 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 654, 655, 656,
&end
#
# 42 THR HB 43 ASN HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 652, 662, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 42 THR HB 44 ARG+ QG 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 683, 684,
&end
#
# 42 THR HN 42 THR QG2 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 648, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 654, 655, 656,
&end
#
# 42 THR HN 43 ASN HA 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 648, 664, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 42 THR HN 43 ASN HN 1.80 3.11
&rst
ixpk= 0, nxpk= 0, iat= 648, 662, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 42 THR HN 44 ARG+ QG 1.80 5.12
&rst
ixpk= 0, nxpk= 0, iat= 648, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 683, 684,
&end
#
# 42 THR QG2 43 ASN HN 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 654, 655, 656,
&end
#
# 42 THR QG2 44 ARG+ HN 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 676, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 654, 655, 656,
&end
#
# 43 ASN HA 43 ASN QD2 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 671, 672,
&end
#
# 43 ASN HA 44 ARG+ HN 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 664, 676, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 43 ASN HN 43 ASN HB2 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 662, 666, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 43 ASN HN 43 ASN HB3 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 662, 667, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 43 ASN HN 43 ASN QB 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 666, 667,
&end
#
# 43 ASN HN 44 ARG+ HN 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 662, 676, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 43 ASN HN 44 ARG+ QG 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 683, 684,
&end
#
# 44 ARG+ HA 44 ARG+ QG 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 683, 684,
&end
#
# 44 ARG+ HA 45 HIS HN 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= 678, 700, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 44 ARG+ HB2 45 HIS HN 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 680, 700, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 44 ARG+ HB3 45 HIS HN 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 681, 700, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 44 ARG+ HN 44 ARG+ HB2 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 676, 680, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 44 ARG+ HN 44 ARG+ HB3 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 676, 681, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 44 ARG+ HN 44 ARG+ QG 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 683, 684,
&end
#
# 44 ARG+ QB 45 HIS HN 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 680, 681,
&end
#
# 44 ARG+ QG 45 HIS HN 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 683, 684,
&end
#
# 45 HIS HE1 47 GLY HA2 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 709, 743, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 45 HIS HE1 47 GLY QA 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 743, 744,
&end
#
# 45 HIS HN 45 HIS HB2 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 700, 704, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 45 HIS HN 45 HIS HB3 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 700, 705, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 45 HIS HN 45 HIS HD2 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 700, 713, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 45 HIS HN 45 HIS QB 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 704, 705,
&end
#
# 45 HIS HN 46 ARG+ HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 700, 717, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 HIS QB 46 ARG+ HN 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 717, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 704, 705,
&end
#
# 46 ARG+ HA 46 ARG+ HG2 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 719, 724, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 46 ARG+ HA 46 ARG+ HG3 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 719, 725, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 46 ARG+ HA 46 ARG+ QG 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= 719, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 724, 725,
&end
#
# 46 ARG+ HN 46 ARG+ HB2 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 717, 721, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 46 ARG+ HN 46 ARG+ HB3 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 717, 722, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 46 ARG+ HN 46 ARG+ HG2 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 717, 724, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 46 ARG+ HN 46 ARG+ HG3 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 717, 725, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 46 ARG+ HN 46 ARG+ QB 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 721, 722,
&end
#
# 46 ARG+ HN 46 ARG+ QD 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 727, 728,
&end
#
# 46 ARG+ HN 46 ARG+ QG 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 724, 725,
&end
#
# 46 ARG+ HN 47 GLY HN 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 717, 741, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 46 ARG+ QB 46 ARG+ QD 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 721, 722,
igr2= 727, 728,
&end
#
# 46 ARG+ QB 48 PHE HN 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 721, 722,
&end
#
# 46 ARG+ QB 48 PHE QD 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 721, 722,
igr2= 756, 764,
&end
#
# 46 ARG+ QB 48 PHE QE 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 721, 722,
igr2= 758, 762,
&end
#
# 46 ARG QB 48 PHE QE 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 721, 722,
igr2= 758, 762,
&end
#
# 46 ARG+ QD 48 PHE QE 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 727, 728,
igr2= 758, 762,
&end
#
# 47 GLY HN 48 PHE HN 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 741, 748, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 47 GLY HN 48 PHE HN 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 741, 748, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 48 PHE HA 48 PHE QD 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 756, 764,
&end
#
# 48 PHE HA 49 GLY HN 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= 750, 768, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 48 PHE HB2 49 GLY HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 752, 768, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 48 PHE HB3 49 GLY HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 753, 768, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 48 PHE HN 48 PHE QD 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 756, 764,
&end
#
# 48 PHE QB 49 GLY HN 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1= 752, 753,
&end
#
# 48 PHE QD 49 GLY HN 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 756, 764,
&end
#
# 48 PHE QD 49 GLY QA 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 756, 764,
igr2= 770, 771,
&end
#
# 49 GLY HA2 50 PHE HN 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 770, 775, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 49 GLY HA3 50 PHE HN 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 771, 775, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 49 GLY HN 50 PHE HN 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 768, 775, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 49 GLY QA 50 PHE HN 1.80 3.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 775, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1= 770, 771,
&end
#
# 50 PHE HA 50 PHE QD 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 777, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 783, 791,
&end
#
# 50 PHE HA 51 VAL HN 1.80 3.05
&rst
ixpk= 0, nxpk= 0, iat= 777, 795, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 50 PHE HA 51 VAL QG2 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 777, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 805, 806, 807,
&end
#
# 50 PHE HB2 51 VAL HN 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 779, 795, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 50 PHE HB3 51 VAL HN 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 780, 795, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 50 PHE HB3 80 ALA QB 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1276,1277,1278,
&end
#
# 50 PHE HN 50 PHE HB2 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 775, 779, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 50 PHE HN 50 PHE HB3 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 775, 780, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 50 PHE HN 50 PHE QD 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 775, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 783, 791,
&end
#
# 50 PHE HN 51 VAL QG2 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 775, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 805, 806, 807,
&end
#
# 50 PHE QD 51 VAL HN 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 783, 791,
&end
#
# 50 PHE QD 80 ALA QB 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 783, 791,
igr2=1276,1277,1278,
&end
#
# 50 PHE QE 80 ALA QB 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 785, 789,
igr2=1276,1277,1278,
&end
#
# 51 VAL HA 51 VAL QG1 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 801, 802, 803,
&end
#
# 51 VAL HA 51 VAL QG2 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 805, 806, 807,
&end
#
# 51 VAL HA 52 THR HA 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 797, 813, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 51 VAL HA 52 THR HN 1.80 3.01
&rst
ixpk= 0, nxpk= 0, iat= 797, 811, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 51 VAL HB 52 THR HN 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 799, 811, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 51 VAL HN 51 VAL HB 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 795, 799, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 51 VAL HN 51 VAL QG1 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 801, 802, 803,
&end
#
# 51 VAL HN 51 VAL QG2 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 805, 806, 807,
&end
#
# 51 VAL HN 52 THR HN 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 795, 811, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 51 VAL QG1 52 THR HN 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1= 801, 802, 803,
&end
#
# 51 VAL QG1 53 PHE HZ 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 801, 802, 803,
&end
#
# 51 VAL QG1 53 PHE QD 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 801, 802, 803,
igr2= 833, 841,
&end
#
# 51 VAL QG1 53 PHE QE 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 801, 802, 803,
igr2= 835, 839,
&end
#
# 51 VAL QG1 62 VAL QG1 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr1= 801, 802, 803,
igr2= 976, 977, 978,
&end
#
# 51 VAL QG2 52 THR HN 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 805, 806, 807,
&end
#
# 52 THR HB 53 PHE HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 815, 825, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 52 THR HN 52 THR HB 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 811, 815, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 52 THR HN 52 THR QG2 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 811, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 817, 818, 819,
&end
#
# 52 THR QG2 53 PHE HA 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 817, 818, 819,
&end
#
# 52 THR QG2 53 PHE HB2 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 817, 818, 819,
&end
#
# 52 THR QG2 53 PHE HN 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 817, 818, 819,
&end
#
# 53 PHE HA 53 PHE QD 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 833, 841,
&end
#
# 53 PHE HA 54 GLU- HN 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= 827, 845, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 53 PHE HA 54 GLU- QB 1.80 5.17
&rst
ixpk= 0, nxpk= 0, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 849, 850,
&end
#
# 53 PHE HB2 54 GLU- HN 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 829, 845, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 53 PHE HB2 55 SER HN 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 829, 860, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 53 PHE HB2 59 VAL QG2 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 927, 928, 929,
&end
#
# 53 PHE HB3 54 GLU- HN 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 830, 845, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 53 PHE HB3 55 SER HN 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 830, 860, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 53 PHE HB3 58 ILE HB 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 830, 902, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 53 PHE HB3 59 VAL QG2 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 830, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 927, 928, 929,
&end
#
# 53 PHE HN 53 PHE HB2 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 825, 829, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 53 PHE HN 53 PHE HB3 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 825, 830, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 53 PHE HN 53 PHE QD 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 833, 841,
&end
#
# 53 PHE HN 54 GLU- HN 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 825, 845, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 53 PHE HN 59 VAL QG2 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 927, 928, 929,
&end
#
# 53 PHE HZ 58 ILE QG2 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 904, 905, 906,
&end
#
# 53 PHE HZ 62 VAL QG1 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 976, 977, 978,
&end
#
# 53 PHE HZ 62 VAL QG2 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 980, 981, 982,
&end
#
# 53 PHE QD 54 GLU- HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 833, 841,
&end
#
# 53 PHE QD 55 SER HN 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 833, 841,
&end
#
# 53 PHE QD 58 ILE HB 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 833, 841,
&end
#
# 53 PHE QD 58 ILE QG2 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 833, 841,
igr2= 904, 905, 906,
&end
#
# 53 PHE QD 59 VAL HA 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 833, 841,
&end
#
# 53 PHE QD 59 VAL QG2 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 833, 841,
igr2= 927, 928, 929,
&end
#
# 53 PHE QD 62 VAL QG2 1.80 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 833, 841,
igr2= 980, 981, 982,
&end
#
# 53 PHE QE 58 ILE QG2 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 835, 839,
igr2= 904, 905, 906,
&end
#
# 53 PHE QE 59 VAL QG2 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 835, 839,
igr2= 927, 928, 929,
&end
#
# 53 PHE QE 62 VAL QG1 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 835, 839,
igr2= 976, 977, 978,
&end
#
# 53 PHE QE 62 VAL QG2 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 835, 839,
igr2= 980, 981, 982,
&end
#
# 54 GLU- HA 54 GLU- QG 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 852, 853,
&end
#
# 54 GLU- HN 54 GLU- QB 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 849, 850,
&end
#
# 54 GLU- HN 54 GLU- QG 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 852, 853,
&end
#
# 54 GLU- QB 55 SER HN 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 849, 850,
&end
#
# 55 SER HA 56 GLU- HN 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= 862, 871, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 55 SER HB2 58 ILE HN 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 864, 898, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 55 SER HB2 58 ILE QG1 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 908, 909,
&end
#
# 55 SER HB3 58 ILE HN 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 865, 898, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 55 SER HB3 58 ILE QG1 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 908, 909,
&end
#
# 55 SER HN 55 SER HB2 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 860, 864, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 55 SER HN 55 SER HB3 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 860, 865, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 55 SER HN 55 SER QB 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 864, 865,
&end
#
# 55 SER HN 58 ILE HB 1.80 5.35
&rst
ixpk= 0, nxpk= 0, iat= 860, 902, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 55 SER HN 58 ILE QD1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 911, 912, 913,
&end
#
# 55 SER QB 57 ASP- HN 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 864, 865,
&end
#
# 55 SER QB 58 ILE HN 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 898, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 864, 865,
&end
#
# 55 SER QB 58 ILE QG1 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 864, 865,
igr2= 908, 909,
&end
#
# 56 GLU- HA 56 GLU- QG 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 873, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 878, 879,
&end
#
# 56 GLU- HA 58 ILE HN 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 873, 898, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 56 GLU- HA 59 VAL HB 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 873, 921, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 56 GLU- HA 59 VAL HN 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 873, 917, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 56 GLU- HA 59 VAL QG1 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 873, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 923, 924, 925,
&end
#
# 56 GLU- HA 59 VAL QG2 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= 873, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 927, 928, 929,
&end
#
# 56 GLU- HN 56 GLU- QB 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= 871, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 875, 876,
&end
#
# 56 GLU- HN 56 GLU- QG 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 871, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 878, 879,
&end
#
# 56 GLU- HN 57 ASP- HN 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 871, 886, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 56 GLU- QB 57 ASP- HN 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 875, 876,
&end
#
# 56 GLU- QB 59 VAL HB 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 875, 876,
&end
#
# 56 GLU- QB 59 VAL HN 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 875, 876,
&end
#
# 56 GLU- QB 59 VAL QG1 1.80 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1= 875, 876,
igr2= 923, 924, 925,
&end
#
# 56 GLU- QB 59 VAL QG2 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 875, 876,
igr2= 927, 928, 929,
&end
#
# 56 GLU- QG 57 ASP- HN 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 878, 879,
&end
#
# 57 ASP- HA 60 GLU- HN 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 888, 933, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 57 ASP- HA 60 GLU- QB 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 937, 938,
&end
#
# 57 ASP- HA 60 GLU- QG 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 940, 941,
&end
#
# 57 ASP- HB2 58 ILE HN 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 890, 898, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 57 ASP- HB2 58 ILE QD1 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 890, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 911, 912, 913,
&end
#
# 57 ASP- HB3 58 ILE HN 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 891, 898, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 57 ASP- HB3 58 ILE QD1 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 911, 912, 913,
&end
#
# 57 ASP- HN 57 ASP- HB2 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 886, 890, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 57 ASP- HN 57 ASP- HB3 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 886, 891, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 57 ASP- HN 57 ASP- QB 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 890, 891,
&end
#
# 57 ASP- HN 58 ILE HN 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= 886, 898, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 57 ASP- HN 58 ILE QG1 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 908, 909,
&end
#
# 57 ASP- QB 59 VAL HN 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 890, 891,
&end
#
# 58 ILE HA 58 ILE QD1 1.80 3.03
&rst
ixpk= 0, nxpk= 0, iat= 900, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 911, 912, 913,
&end
#
# 58 ILE HA 58 ILE QG1 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 900, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 908, 909,
&end
#
# 58 ILE HA 58 ILE QG2 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat= 900, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 904, 905, 906,
&end
#
# 58 ILE HA 61 LYS+ HB3 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 900, 953, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 58 ILE HA 61 LYS+ HN 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 900, 948, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 58 ILE HA 62 VAL HN 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 900, 970, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 58 ILE HA 62 VAL QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 900, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 980, 981, 982,
&end
#
# 58 ILE HB 58 ILE QD1 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 902, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 911, 912, 913,
&end
#
# 58 ILE HB 59 VAL HN 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 902, 917, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 58 ILE HB 62 VAL QG2 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 902, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 980, 981, 982,
&end
#
# 58 ILE HN 58 ILE HB 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= 898, 902, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 58 ILE HN 58 ILE QD1 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 911, 912, 913,
&end
#
# 58 ILE HN 58 ILE QG1 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 908, 909,
&end
#
# 58 ILE HN 58 ILE QG2 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 904, 905, 906,
&end
#
# 58 ILE HN 59 VAL HN 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= 898, 917, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 58 ILE HN 59 VAL QG2 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 927, 928, 929,
&end
#
# 58 ILE QG1 59 VAL HN 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 908, 909,
&end
#
# 58 ILE QG2 58 ILE QD1 1.80 3.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 904, 905, 906,
igr2= 911, 912, 913,
&end
#
# 58 ILE QG2 58 ILE QG1 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 904, 905, 906,
igr2= 908, 909,
&end
#
# 58 ILE QG2 59 VAL HN 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 904, 905, 906,
&end
#
# 58 ILE QG2 59 VAL QG2 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 904, 905, 906,
igr2= 927, 928, 929,
&end
#
# 58 ILE QG2 61 LYS+ HB3 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 904, 905, 906,
&end
#
# 58 ILE QG2 62 VAL HB 1.80 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 974, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1= 904, 905, 906,
&end
#
# 58 ILE QG2 62 VAL QG1 1.80 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 904, 905, 906,
igr2= 976, 977, 978,
&end
#
# 58 ILE QG2 62 VAL QG2 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 904, 905, 906,
igr2= 980, 981, 982,
&end
#
# 59 VAL HA 53 PHE HD1 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 919, 833, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 59 VAL HA 53 PHE HD2 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 919, 841, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 59 VAL HA 53 PHE HE1 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 919, 835, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 59 VAL HA 53 PHE HE2 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 919, 839, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 59 VAL HA 59 VAL QG1 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 923, 924, 925,
&end
#
# 59 VAL HA 59 VAL QG2 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 927, 928, 929,
&end
#
# 59 VAL HA 62 VAL HB 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 919, 974, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 59 VAL HA 62 VAL HN 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 919, 970, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 59 VAL HA 62 VAL QG1 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 976, 977, 978,
&end
#
# 59 VAL HA 62 VAL QG2 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 980, 981, 982,
&end
#
# 59 VAL HB 60 GLU- HN 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 921, 933, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 59 VAL HN 59 VAL HB 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= 917, 921, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 59 VAL HN 59 VAL QG1 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 923, 924, 925,
&end
#
# 59 VAL HN 59 VAL QG2 1.80 3.03
&rst
ixpk= 0, nxpk= 0, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 927, 928, 929,
&end
#
# 59 VAL HN 60 GLU- HN 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= 917, 933, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 59 VAL HN 60 GLU- QB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 937, 938,
&end
#
# 59 VAL QG1 60 GLU- HA 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 923, 924, 925,
&end
#
# 59 VAL QG1 60 GLU- HN 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 923, 924, 925,
&end
#
# 59 VAL QG1 60 GLU- QB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 923, 924, 925,
igr2= 937, 938,
&end
#
# 59 VAL QG1 62 VAL HB 1.80 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 974, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 923, 924, 925,
&end
#
# 59 VAL QG1 62 VAL HN 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 970, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 923, 924, 925,
&end
#
# 59 VAL QG1 63 CYS HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 986, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 923, 924, 925,
&end
#
# 59 VAL QG2 60 GLU- HN 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 927, 928, 929,
&end
#
# 60 GLU- HA 60 GLU- QG 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 940, 941,
&end
#
# 60 GLU- HA 63 CYS HB2 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 935, 990, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 60 GLU- HA 63 CYS HB3 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 935, 991, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 60 GLU- HA 63 CYS HN 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 935, 986, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 60 GLU- HA 63 CYS QB 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 990, 991,
&end
#
# 60 GLU- HN 60 GLU- QB 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 937, 938,
&end
#
# 60 GLU- HN 60 GLU- QG 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 940, 941,
&end
#
# 60 GLU- HN 61 LYS+ HN 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 933, 948, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 60 GLU- QB 61 LYS+ HN 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 948, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1= 937, 938,
&end
#
# 60 GLU- QB 62 VAL HN 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 970, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 937, 938,
&end
#
# 60 GLU- QG 61 LYS+ HN 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 948, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 940, 941,
&end
#
# 61 LYS+ HA 61 LYS+ HG2 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 950, 955, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 61 LYS+ HA 61 LYS+ HG3 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 950, 956, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 61 LYS+ HA 61 LYS+ QD 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 958, 959,
&end
#
# 61 LYS+ HA 64 GLU- HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 950, 997, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 61 LYS+ HA 64 GLU- QB 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1001,1002,
&end
#
# 61 LYS+ HA 64 GLU- QG 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1004,1005,
&end
#
# 61 LYS+ HA 65 ILE HN 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= 950,1012, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 61 LYS+ HB2 62 VAL HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 952, 970, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 61 LYS+ HB3 62 VAL HN 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 953, 970, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 61 LYS+ HG2 61 LYS+ QE 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 961, 962,
&end
#
# 61 LYS+ HG3 62 VAL HA 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 956, 972, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 61 LYS+ HG3 65 ILE QD1 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 956, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1025,1026,1027,
&end
#
# 61 LYS+ HN 61 LYS+ HB2 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= 948, 952, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 61 LYS+ HN 61 LYS+ HB3 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= 948, 953, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 61 LYS+ HN 61 LYS+ HG3 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 948, 956, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 61 LYS+ HN 62 VAL HN 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 948, 970, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 61 LYS+ HN 62 VAL QG2 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 980, 981, 982,
&end
#
# 61 LYS+ QD 62 VAL HA 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 958, 959,
&end
#
# 61 LYS+ QD 65 ILE HA 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 958, 959,
&end
#
# 61 LYS+ QD 65 ILE HB 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 958, 959,
&end
#
# 61 LYS+ QD 65 ILE HN 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1012, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 958, 959,
&end
#
# 61 LYS+ QD 65 ILE QD1 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 958, 959,
igr2=1025,1026,1027,
&end
#
# 61 LYS+ QD 65 ILE QG1 1.80 2.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 958, 959,
igr2=1022,1023,
&end
#
# 61 LYS+ QD 65 ILE QG2 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 958, 959,
igr2=1018,1019,1020,
&end
#
# 61 LYS+ QE 65 ILE QD1 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 961, 962,
igr2=1025,1026,1027,
&end
#
# 62 VAL HA 28 PHE HD1 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 972, 436, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 62 VAL HA 28 PHE HD2 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 972, 444, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 62 VAL HA 28 PHE HE1 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 972, 438, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 62 VAL HA 28 PHE HE2 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 972, 442, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 62 VAL HA 62 VAL QG1 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 976, 977, 978,
&end
#
# 62 VAL HA 62 VAL QG2 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 980, 981, 982,
&end
#
# 62 VAL HA 65 ILE HB 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 972,1016, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 62 VAL HA 65 ILE HN 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 972,1012, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 62 VAL HA 65 ILE QD1 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1025,1026,1027,
&end
#
# 62 VAL HA 68 HIS HE1 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 972,1077, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 62 VAL HB 63 CYS HN 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 974, 986, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 62 VAL HN 62 VAL HB 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= 970, 974, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 62 VAL HN 62 VAL QG1 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 970, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 976, 977, 978,
&end
#
# 62 VAL HN 62 VAL QG2 1.80 3.03
&rst
ixpk= 0, nxpk= 0, iat= 970, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 980, 981, 982,
&end
#
# 62 VAL HN 63 CYS HN 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= 970, 986, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 62 VAL QG1 63 CYS HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 986, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 976, 977, 978,
&end
#
# 62 VAL QG1 65 ILE QD1 1.80 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
igr1= 976, 977, 978,
igr2=1025,1026,1027,
&end
#
# 62 VAL QG1 68 HIS HD2 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 976, 977, 978,
&end
#
# 62 VAL QG1 68 HIS HE1 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 976, 977, 978,
&end
#
# 62 VAL QG1 77 CYS HB2 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1221, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 976, 977, 978,
&end
#
# 62 VAL QG1 77 CYS HB3 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1222, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 976, 977, 978,
&end
#
# 62 VAL QG2 63 CYS HN 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 986, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 980, 981, 982,
&end
#
# 62 VAL QG2 68 HIS HE1 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 980, 981, 982,
&end
#
# 63 CYS HA 66 HIS HN 5.50 100.00
&rst
ixpk= 0, nxpk= 0, iat= 988,1031, r1= 5.00, r2= 5.50, r3=100.00, r4=100.50, &end
#
# 63 CYS HB2 64 GLU- HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 990, 997, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 63 CYS HB3 64 GLU- HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 991, 997, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 63 CYS HN 63 CYS HB2 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 986, 990, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 63 CYS HN 63 CYS HB3 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 986, 991, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 63 CYS HN 63 CYS QB 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= 986, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 990, 991,
&end
#
# 63 CYS HN 64 GLU- HN 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 986, 997, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 63 CYS QB 64 GLU- HN 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 990, 991,
&end
#
# 64 GLU- HA 64 GLU- HG2 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 999,1004, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 64 GLU- HA 64 GLU- HG3 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 999,1005, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 64 GLU- HA 64 GLU- QG 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1004,1005,
&end
#
# 64 GLU- HN 64 GLU- QB 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=1001,1002,
&end
#
# 64 GLU- HN 64 GLU- QG 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1004,1005,
&end
#
# 64 GLU- HN 65 ILE HN 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 997,1012, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 64 GLU- QB 65 ILE HN 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1012, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1=1001,1002,
&end
#
# 64 GLU- QB 65 ILE QD1 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1001,1002,
igr2=1025,1026,1027,
&end
#
# 65 ILE HA 65 ILE QD1 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1014, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1025,1026,1027,
&end
#
# 65 ILE HA 65 ILE QG1 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat=1014, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1022,1023,
&end
#
# 65 ILE HA 65 ILE QG2 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat=1014, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1018,1019,1020,
&end
#
# 65 ILE HB 65 ILE QD1 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2=1025,1026,1027,
&end
#
# 65 ILE HB 66 HIS HN 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat=1016,1031, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 65 ILE HB 68 HIS HD2 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat=1016,1081, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 65 ILE HB 68 HIS HE1 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat=1016,1077, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 65 ILE HN 65 ILE HB 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat=1012,1016, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 65 ILE HN 65 ILE QD1 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat=1012, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1025,1026,1027,
&end
#
# 65 ILE HN 65 ILE QG1 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat=1012, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1022,1023,
&end
#
# 65 ILE HN 65 ILE QG2 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat=1012, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1018,1019,1020,
&end
#
# 65 ILE HN 66 HIS HN 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat=1012,1031, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 65 ILE QD1 68 HIS HE1 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1=1025,1026,1027,
&end
#
# 65 ILE QG2 66 HIS HN 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1018,1019,1020,
&end
#
# 65 ILE QG2 68 HIS HD2 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1018,1019,1020,
&end
#
# 65 ILE QG2 68 HIS HE1 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1018,1019,1020,
&end
#
# 66 HIS HA 66 HIS HD2 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat=1033,1044, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 66 HIS HD2 76 GLU- HB2 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat=1044,1206, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 66 HIS HD2 76 GLU- HB3 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat=1044,1207, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 66 HIS HD2 76 GLU- HG2 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat=1044,1209, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 66 HIS HD2 76 GLU- HG3 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat=1044,1210, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 66 HIS HD2 76 GLU- QB 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat=1044, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1206,1207,
&end
#
# 66 HIS HD2 76 GLU- QG 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1044, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1209,1210,
&end
#
# 66 HIS HD2 76 GLU QG 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1044, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1209,1210,
&end
#
# 66 HIS HD2 77 CYS HN 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat=1044,1217, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 66 HIS QB 67 PHE QD 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1035,1036,
igr2=1056,1064,
&end
#
# 67 PHE HA 67 PHE QD 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1056,1064,
&end
#
# 67 PHE HA 68 HIS HN 1.80 3.05
&rst
ixpk= 0, nxpk= 0, iat=1050,1068, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 67 PHE HB2 68 HIS HN 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat=1052,1068, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 67 PHE HB2 74 MET QE 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1180,1181,1182,
&end
#
# 67 PHE HB3 68 HIS HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat=1053,1068, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 67 PHE HB3 74 MET QE 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat=1053, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1180,1181,1182,
&end
#
# 67 PHE HB3 74 MET QG 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat=1053, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1176,1177,
&end
#
# 67 PHE QD 74 MET QE 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1056,1064,
igr2=1180,1181,1182,
&end
#
# 67 PHE QD 76 GLU- HB2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1056,1064,
&end
#
# 67 PHE QD 76 GLU- HB3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1056,1064,
&end
#
# 67 PHE QD 76 GLU- QB 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1056,1064,
igr2=1206,1207,
&end
#
# 67 PHE QD 76 GLU QB 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1056,1064,
igr2=1206,1207,
&end
#
# 67 PHE QD 76 GLU- QG 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1=1056,1064,
igr2=1209,1210,
&end
#
# 68 HIS HB2 75 VAL QG2 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat=1072, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1196,1197,1198,
&end
#
# 68 HIS HB3 75 VAL QG2 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat=1073, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1196,1197,1198,
&end
#
# 68 HIS HD2 77 CYS HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat=1081,1217, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 68 HIS HD2 77 CYS QB 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1221,1222,
&end
#
# 68 HIS HN 68 HIS HB2 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat=1068,1072, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 68 HIS HN 68 HIS HB3 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat=1068,1073, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 68 HIS HN 68 HIS HD2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1068,1081, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 68 HIS HN 68 HIS QB 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat=1068, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1072,1073,
&end
#
# 68 HIS HN 74 MET QB 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat=1068, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1173,1174,
&end
#
# 68 HIS HN 74 MET QE 1.80 5.40
&rst
ixpk= 0, nxpk= 0, iat=1068, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=1180,1181,1182,
&end
#
# 68 HIS HN 75 VAL HN 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat=1068,1186, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 68 HIS HN 75 VAL QG2 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat=1068, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1196,1197,1198,
&end
#
# 68 HIS QB 70 ILE QD1 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1072,1073,
igr2=1113,1114,1115,
&end
#
# 68 HIS QB 70 ILE QG1 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1072,1073,
igr2=1110,1111,
&end
#
# 68 HIS QB 75 VAL QG2 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1072,1073,
igr2=1196,1197,1198,
&end
#
# 69 GLU HN 75 VAL HN 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1085,1186, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 69 GLU- QB 70 ILE HN 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1=1089,1090,
&end
#
# 69 GLU- QB 74 MET HA 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1171, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1089,1090,
&end
#
# 70 ILE HA 70 ILE HG12 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1102,1110, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 70 ILE HA 70 ILE HG13 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1102,1111, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 70 ILE HA 70 ILE QD1 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat=1102, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1113,1114,1115,
&end
#
# 70 ILE HA 70 ILE QG2 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat=1102, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1106,1107,1108,
&end
#
# 70 ILE HA 71 ASN HA 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat=1102,1121, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 70 ILE HA 71 ASN HN 1.80 2.98
&rst
ixpk= 0, nxpk= 0, iat=1102,1119, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 70 ILE HB 70 ILE QD1 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat=1104, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=1113,1114,1115,
&end
#
# 70 ILE HB 73 LYS+ HN 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat=1104,1147, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 70 ILE HN 70 ILE HB 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat=1100,1104, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 70 ILE HN 70 ILE QG1 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1110,1111,
&end
#
# 70 ILE HN 70 ILE QG2 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1106,1107,1108,
&end
#
# 70 ILE HN 71 ASN HN 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat=1100,1119, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 70 ILE HN 72 ASN HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1100,1133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 ILE HN 73 LYS+ HN 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat=1100,1147, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 70 ILE HN 74 MET HA 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat=1100,1171, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 70 ILE HN 75 VAL HN 1.80 5.05
&rst
ixpk= 0, nxpk= 0, iat=1100,1186, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 70 ILE HN 75 VAL QG1 1.80 5.46
&rst
ixpk= 0, nxpk= 0, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2=1192,1193,1194,
&end
#
# 70 ILE QD1 75 VAL QG1 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1113,1114,1115,
igr2=1192,1193,1194,
&end
#
# 70 ILE QD1 75 VAL QG2 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1113,1114,1115,
igr2=1196,1197,1198,
&end
#
# 70 ILE QG2 70 ILE QD1 1.80 2.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1106,1107,1108,
igr2=1113,1114,1115,
&end
#
# 70 ILE QG2 70 ILE QG1 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1106,1107,1108,
igr2=1110,1111,
&end
#
# 70 ILE QG2 71 ASN HD21 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1128, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1106,1107,1108,
&end
#
# 70 ILE QG2 71 ASN HD22 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1106,1107,1108,
&end
#
# 70 ILE QG2 71 ASN HN 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1106,1107,1108,
&end
#
# 70 ILE QG2 71 ASN QB 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1106,1107,1108,
igr2=1123,1124,
&end
#
# 70 ILE QG2 71 ASN QD2 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1106,1107,1108,
igr2=1128,1129,
&end
#
# 71 ASN HN 72 ASN HN 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat=1119,1133, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 72 ASN HA 72 ASN QD2 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1142,1143,
&end
#
# 72 ASN HA 73 LYS HA 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1135,1149, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 72 ASN HN 73 LYS+ HN 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat=1133,1147, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 73 LYS+ HG2 74 MET HN 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat=1154,1169, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 73 LYS+ HG3 74 MET HN 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat=1155,1169, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 73 LYS+ HN 73 LYS+ HB2 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat=1147,1151, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 73 LYS+ HN 73 LYS+ HB3 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat=1147,1152, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 73 LYS+ HN 73 LYS+ QB 1.80 3.07
&rst
ixpk= 0, nxpk= 0, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2=1151,1152,
&end
#
# 73 LYS+ HN 73 LYS+ QG 1.80 5.19
&rst
ixpk= 0, nxpk= 0, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2=1154,1155,
&end
#
# 73 LYS+ HN 74 MET HN 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat=1147,1169, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 73 LYS+ QB 74 MET HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1151,1152,
&end
#
# 74 MET HN 74 MET HG2 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat=1169,1176, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 74 MET HN 74 MET HG3 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat=1169,1177, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 74 MET HN 74 MET QB 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat=1169, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2=1173,1174,
&end
#
# 74 MET HN 74 MET QG 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat=1169, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1176,1177,
&end
#
# 74 MET QG 74 MET QE 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1176,1177,
igr2=1180,1181,1182,
&end
#
# 75 VAL HA 76 GLU- QB 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat=1188, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1206,1207,
&end
#
# 75 VAL HA 76 GLU- QG 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat=1188, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1209,1210,
&end
#
# 75 VAL HB 76 GLU- HN 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat=1190,1202, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 75 VAL HB 76 GLU- QB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat=1190, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1206,1207,
&end
#
# 75 VAL HN 75 VAL QG1 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1192,1193,1194,
&end
#
# 75 VAL HN 75 VAL QG2 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1196,1197,1198,
&end
#
# 75 VAL QG1 76 GLU- HN 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1202, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1192,1193,1194,
&end
#
# 75 VAL QG2 76 GLU- HN 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1202, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1196,1197,1198,
&end
#
# 76 GLU- HA 77 CYS HN 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat=1204,1217, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 76 GLU- HB2 77 CYS HN 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat=1206,1217, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 76 GLU- HB3 77 CYS HN 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat=1207,1217, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 76 GLU- HN 76 GLU- HB2 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat=1202,1206, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 76 GLU- HN 76 GLU- HB3 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat=1202,1207, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 76 GLU- HN 76 GLU- HG2 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat=1202,1209, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 76 GLU- HN 76 GLU- HG3 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat=1202,1210, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 76 GLU- HN 76 GLU- QB 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1206,1207,
&end
#
# 76 GLU- HN 76 GLU- QG 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1209,1210,
&end
#
# 76 GLU- QB 77 CYS HN 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1217, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1=1206,1207,
&end
#
# 76 GLU- QG 77 CYS HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1217, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1209,1210,
&end
#
# 77 CYS HA 78 LYS+ HN 1.80 2.93
&rst
ixpk= 0, nxpk= 0, iat=1219,1228, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 77 CYS HA 78 LYS+ QD 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1219, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1238,1239,
&end
#
# 77 CYS HB2 78 LYS+ HN 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat=1221,1228, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 77 CYS HB3 78 LYS+ HN 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat=1222,1228, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 77 CYS HN 77 CYS HB2 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat=1217,1221, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 77 CYS HN 77 CYS HB3 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat=1217,1222, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 77 CYS HN 77 CYS QB 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1221,1222,
&end
#
# 77 CYS QB 78 LYS+ HN 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1221,1222,
&end
#
# 78 LYS+ HA 79 LYS+ HN 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat=1230,1250, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 78 LYS+ HB2 79 LYS+ HN 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat=1232,1250, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 78 LYS+ HB3 79 LYS+ HN 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat=1233,1250, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 78 LYS+ HG2 78 LYS+ QE 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1241,1242,
&end
#
# 78 LYS+ HG3 78 LYS+ QE 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1241,1242,
&end
#
# 78 LYS+ HN 78 LYS+ QG 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1235,1236,
&end
#
# 78 LYS+ QB 78 LYS+ QD 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1232,1233,
igr2=1238,1239,
&end
#
# 78 LYS+ QB 79 LYS+ HN 1.80 3.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1250, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr1=1232,1233,
&end
#
# 78 LYS+ QG 78 LYS+ QE 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1235,1236,
igr2=1241,1242,
&end
#
# 78 LYS+ QG 79 LYS+ HN 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1250, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1235,1236,
&end
#
# 79 LYS+ HA 80 ALA HN 1.80 2.97
&rst
ixpk= 0, nxpk= 0, iat=1252,1272, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 79 LYS+ HA 80 ALA QB 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat=1252, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1276,1277,1278,
&end
#
# 79 LYS+ HN 79 LYS+ HB2 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat=1250,1254, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 79 LYS+ HN 79 LYS+ HB3 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat=1250,1255, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 79 LYS+ HN 79 LYS+ QB 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat=1250, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2=1254,1255,
&end
#
# 79 LYS+ HN 80 ALA HN 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat=1250,1272, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 79 LYS+ QB 80 ALA HN 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1272, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1254,1255,
&end
#
# 79 LYS+ QB 80 ALA QB 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=1254,1255,
igr2=1276,1277,1278,
&end
#
# 79 LYS+ QB 81 GLN QG 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1254,1255,
igr2=1289,1290,
&end
#
# 80 ALA HA 81 GLN HN 1.80 2.99
&rst
ixpk= 0, nxpk= 0, iat=1274,1282, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 80 ALA HN 80 ALA QB 1.80 3.06
&rst
ixpk= 0, nxpk= 0, iat=1272, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2=1276,1277,1278,
&end
#
# 80 ALA QB 81 GLN HN 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1282, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1276,1277,1278,
&end
#
# 80 ALA QB 81 GLN QG 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1276,1277,1278,
igr2=1289,1290,
&end
#
# 81 GLN HA 81 GLN QG 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1289,1290,
&end
#
# 81 GLN HA 82 PRO QD 1.80 3.06
&rst
ixpk= 0, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2=1300,1301,
&end
#
# 81 GLN HN 81 GLN QB 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat=1282, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1286,1287,
&end
#
# 81 GLN HN 81 GLN QG 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1282, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1289,1290,
&end
#
# 81 GLN QB 81 GLN QE2 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1286,1287,
igr2=1294,1295,
&end
#
# 81 GLN QB 82 PRO QD 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1286,1287,
igr2=1300,1301,
&end
#
# 81 GLN QG 82 PRO QD 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1289,1290,
igr2=1300,1301,
&end
#
# 82 PRO HA 83 LYS+ HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1309,1313, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 83 LYS+ HA 84 GLU- HN 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat=1315,1335, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 83 LYS+ HN 83 LYS+ QB 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1317,1318,
&end
#
# 83 LYS+ QB 84 GLU- HN 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1335, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1317,1318,
&end
#
# 84 GLU- HA 84 GLU- QG 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1342,1343,
&end
#
# 84 GLU- HA 85 VAL HN 1.80 3.11
&rst
ixpk= 0, nxpk= 0, iat=1337,1350, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 84 GLU- HN 84 GLU- QB 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2=1339,1340,
&end
#
# 84 GLU- HN 84 GLU- QG 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1342,1343,
&end
#
# 84 GLU- HN 85 VAL HN 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat=1335,1350, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 84 GLU- QG 85 VAL HN 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1342,1343,
&end
#
# 85 VAL HA 85 VAL QG1 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat=1352, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1356,1357,1358,
&end
#
# 85 VAL HA 85 VAL QG2 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat=1352, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1360,1361,1362,
&end
#
# 85 VAL HA 86 MET HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1352,1366, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 85 VAL HB 86 MET HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat=1354,1366, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 85 VAL HN 85 VAL HB 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat=1350,1354, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 85 VAL HN 85 VAL QG1 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat=1350, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1356,1357,1358,
&end
#
# 85 VAL HN 85 VAL QG2 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat=1350, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1360,1361,1362,
&end
#
# 85 VAL HN 85 VAL QQG 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat=1350, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1356,1357,1358,1360,1361,1362,
&end
#
# 85 VAL HN 86 MET HN 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat=1350,1366, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 86 MET QB 88 PRO QD 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1370,1371,
igr2=1395,1396,
&end
#
# 87 SER HN 88 PRO QB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat=1383, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1401,1402,
&end
#
# 87 SER HN 88 PRO QD 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat=1383, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1395,1396,
&end
#
# 92 ALA QB 93 ARG+ HN 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1450, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=1444,1445,1446,
&end
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