NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
535327 |
2rs7   |
11457 | cing | 1-original | 3 | AMBER | distance | NOE | simple |
#
# 6 SER HA 7 GLY HN 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= 53, 62, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
&end
#
# 6 SER HN 6 SER QB 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 51, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 55, 56,
&end
#
# 7 GLY HA2 8 LEU HN 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= 64, 69, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 7 GLY HA3 8 LEU HN 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= 65, 69, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 7 GLY HN 8 LEU HG 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 62, 76, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 GLY HN 8 LEU QB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 73, 74,
&end
#
# 7 GLY QA 8 LEU HN 1.80 3.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 69, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1= 64, 65,
&end
#
# 8 LEU HA 8 LEU HG 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 71, 76, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 8 LEU HA 8 LEU QQD 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 78, 79, 80, 82, 83, 84,
&end
#
# 8 LEU HA 9 GLU- HN 1.80 2.91
&rst
ixpk= 0, nxpk= 0, iat= 71, 88, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 8 LEU HN 8 LEU HG 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 69, 76, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 8 LEU HN 8 LEU QB 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 73, 74,
&end
#
# 8 LEU HN 8 LEU QQD 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 78, 79, 80, 82, 83, 84,
&end
#
# 8 LEU QB 10 SER HN 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 103, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 73, 74,
&end
#
# 8 LEU QB 9 GLU- HN 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 73, 74,
&end
#
# 9 GLU- HA 10 SER HN 1.80 2.81
&rst
ixpk= 0, nxpk= 0, iat= 90, 103, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end
#
# 9 GLU- HA 9 GLU- QG 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 95, 96,
&end
#
# 9 GLU- HB2 10 SER HN 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 92, 103, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 9 GLU- HB3 10 SER HN 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 93, 103, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 9 GLU- HN 10 SER HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 88, 103, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 9 GLU- HN 9 GLU- HB2 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 88, 92, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 9 GLU- HN 9 GLU- HB3 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 88, 93, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 9 GLU- HN 9 GLU- QB 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 92, 93,
&end
#
# 9 GLU- HN 9 GLU- QG 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 95, 96,
&end
#
# 9 GLU- QB 10 SER HN 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 103, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 92, 93,
&end
#
# 9 GLU- QG 10 SER HN 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 103, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 95, 96,
&end
#
# 9 GLU- QG 11 GLU- HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 95, 96,
&end
#
# 10 SER HA 11 GLU- HN 1.80 3.04
&rst
ixpk= 0, nxpk= 0, iat= 105, 114, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 10 SER HB2 11 GLU- HN 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 107, 114, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 10 SER HB3 11 GLU- HN 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 108, 114, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 10 SER HN 10 SER HB2 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 103, 107, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 10 SER HN 10 SER HB3 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 103, 108, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 10 SER HN 10 SER QB 1.80 3.02
&rst
ixpk= 0, nxpk= 0, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2= 107, 108,
&end
#
# 10 SER QB 11 GLU- HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 107, 108,
&end
#
# 11 GLU- HA 11 GLU- QG 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 121, 122,
&end
#
# 11 GLU- HA 12 GLU- HN 1.80 2.69
&rst
ixpk= 0, nxpk= 0, iat= 116, 129, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, &end
#
# 11 GLU- HN 11 GLU- QB 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 118, 119,
&end
#
# 11 GLU- HN 11 GLU- QG 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 121, 122,
&end
#
# 11 GLU- QB 12 GLU- HN 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 129, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 118, 119,
&end
#
# 11 GLU- QG 12 GLU- HN 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 129, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 121, 122,
&end
#
# 12 GLU- HA 12 GLU- QG 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 136, 137,
&end
#
# 12 GLU- HA 13 VAL HN 1.80 2.76
&rst
ixpk= 0, nxpk= 0, iat= 131, 144, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, &end
#
# 12 GLU- HA 13 VAL QQG 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 150, 151, 152, 154, 155, 156,
&end
#
# 12 GLU- HB2 13 VAL HN 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 133, 144, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 12 GLU- HB3 13 VAL HN 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 134, 144, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 12 GLU- HN 12 GLU- QB 1.80 2.96
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2= 133, 134,
&end
#
# 12 GLU- HN 12 GLU- QG 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 136, 137,
&end
#
# 12 GLU- HN 13 VAL QQG 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr2= 150, 151, 152, 154, 155, 156,
&end
#
# 12 GLU- QB 13 VAL HN 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 133, 134,
&end
#
# 13 VAL HA 13 VAL QG1 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 150, 151, 152,
&end
#
# 13 VAL HA 13 VAL QG2 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 154, 155, 156,
&end
#
# 13 VAL HA 13 VAL QQG 1.80 2.78
&rst
ixpk= 0, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 150, 151, 152, 154, 155, 156,
&end
#
# 13 VAL HA 14 ASP- HN 1.80 2.78
&rst
ixpk= 0, nxpk= 0, iat= 146, 160, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end
#
# 13 VAL HA 14 ASP- QB 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 164, 165,
&end
#
# 13 VAL HB 14 ASP- HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 148, 160, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 13 VAL HN 13 VAL HB 1.80 2.96
&rst
ixpk= 0, nxpk= 0, iat= 144, 148, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 13 VAL HN 13 VAL QQG 1.80 2.95
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 150, 151, 152, 154, 155, 156,
&end
#
# 13 VAL HN 14 ASP- HN 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 144, 160, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 13 VAL QQG 14 ASP- HN 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 150, 151, 152, 154, 155, 156,
&end
#
# 14 ASP- HN 14 ASP- HB2 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 160, 164, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 14 ASP- HN 14 ASP- HB3 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 160, 165, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 14 ASP- HN 14 ASP- QB 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 164, 165,
&end
#
# 14 ASP- QB 15 LEU QB 1.80 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 164, 165,
igr2= 176, 177,
&end
#
# 14 ASP- QB 15 LEU QQD 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 164, 165,
igr2= 181, 182, 183, 185, 186, 187,
&end
#
# 14 ASP- QB 17 ALA HA 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 207, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 164, 165,
&end
#
# 14 ASP- QB 17 ALA QB 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= 164, 165,
igr2= 209, 210, 211,
&end
#
# 15 LEU HA 15 LEU HG 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 174, 179, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 15 LEU HA 15 LEU QD1 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 174, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 181, 182, 183,
&end
#
# 15 LEU HA 15 LEU QD2 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 174, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 185, 186, 187,
&end
#
# 15 LEU HA 15 LEU QQD 1.80 2.67
&rst
ixpk= 0, nxpk= 0, iat= 174, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 181, 182, 183, 185, 186, 187,
&end
#
# 15 LEU HB2 16 ASN HN 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 176, 191, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 15 LEU HB3 16 ASN HN 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 177, 191, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 15 LEU HN 15 LEU HB2 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 172, 176, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 15 LEU HN 15 LEU HB3 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 172, 177, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 15 LEU HN 15 LEU QB 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 176, 177,
&end
#
# 15 LEU HN 15 LEU QD1 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 181, 182, 183,
&end
#
# 15 LEU HN 15 LEU QD2 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 185, 186, 187,
&end
#
# 15 LEU HN 15 LEU QQD 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 181, 182, 183, 185, 186, 187,
&end
#
# 15 LEU HN 17 ALA QB 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 209, 210, 211,
&end
#
# 15 LEU QB 16 ASN HN 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 191, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 176, 177,
&end
#
# 15 LEU QD1 16 ASN HN 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 191, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 181, 182, 183,
&end
#
# 15 LEU QD2 16 ASN HN 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 191, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 185, 186, 187,
&end
#
# 15 LEU QQD 16 ASN HN 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 191, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 181, 182, 183, 185, 186, 187,
&end
#
# 16 ASN HN 16 ASN HB2 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 191, 195, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 16 ASN HN 16 ASN HB3 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 191, 196, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 16 ASN HN 16 ASN HD21 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 191, 200, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 16 ASN HN 16 ASN HD22 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 191, 201, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 16 ASN HN 16 ASN QB 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2= 195, 196,
&end
#
# 16 ASN HN 16 ASN QD2 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 200, 201,
&end
#
# 16 ASN HN 17 ALA HA 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 191, 207, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 16 ASN HN 17 ALA HN 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= 191, 205, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 16 ASN HN 17 ALA QB 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 209, 210, 211,
&end
#
# 16 ASN QB 16 ASN QD2 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 195, 196,
igr2= 200, 201,
&end
#
# 16 ASN QB 19 LEU HN 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 195, 196,
&end
#
# 16 ASN QB 19 LEU QQD 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 195, 196,
igr2= 231, 232, 233, 235, 236, 237,
&end
#
# 16 ASN QB 20 HIS HD2 1.80 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 195, 196,
&end
#
# 17 ALA HA 19 LEU HN 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 207, 222, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 17 ALA HA 20 HIS HD2 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 207, 254, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 17 ALA HA 20 HIS HN 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 207, 241, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 17 ALA HA 20 HIS QB 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 245, 246,
&end
#
# 17 ALA HN 17 ALA QB 1.80 2.96
&rst
ixpk= 0, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 209, 210, 211,
&end
#
# 17 ALA HN 18 GLY HN 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 205, 215, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 17 ALA QB 18 GLY HN 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 209, 210, 211,
&end
#
# 17 ALA QB 18 GLY QA 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 209, 210, 211,
igr2= 217, 218,
&end
#
# 17 ALA QB 19 LEU HN 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 209, 210, 211,
&end
#
# 18 GLY HN 19 LEU HN 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 215, 222, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 18 GLY QA 19 LEU HN 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 217, 218,
&end
#
# 19 LEU HA 19 LEU HG 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 224, 229, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 19 LEU HA 19 LEU QD1 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 231, 232, 233,
&end
#
# 19 LEU HA 19 LEU QD2 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 235, 236, 237,
&end
#
# 19 LEU HA 19 LEU QQD 1.80 2.69
&rst
ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 231, 232, 233, 235, 236, 237,
&end
#
# 19 LEU HB2 19 LEU QD1 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 231, 232, 233,
&end
#
# 19 LEU HB2 19 LEU QD2 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 235, 236, 237,
&end
#
# 19 LEU HB2 20 HIS HD2 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 226, 254, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 LEU HB2 20 HIS HN 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 226, 241, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 19 LEU HB3 19 LEU QD1 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 231, 232, 233,
&end
#
# 19 LEU HB3 19 LEU QD2 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 235, 236, 237,
&end
#
# 19 LEU HB3 20 HIS HD2 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 227, 254, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 LEU HB3 20 HIS HN 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 227, 241, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 19 LEU HN 19 LEU HB2 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 222, 226, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 19 LEU HN 19 LEU HB3 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 222, 227, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 19 LEU HN 19 LEU HG 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 222, 229, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 19 LEU HN 19 LEU QB 1.80 3.11
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 226, 227,
&end
#
# 19 LEU HN 19 LEU QD1 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 231, 232, 233,
&end
#
# 19 LEU HN 19 LEU QD2 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 235, 236, 237,
&end
#
# 19 LEU HN 20 HIS HD2 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 222, 254, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 19 LEU HN 20 HIS HN 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 222, 241, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 19 LEU HN 20 HIS QB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 245, 246,
&end
#
# 19 LEU HN 21 GLY HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 222, 258, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 19 LEU QB 19 LEU QQD 1.80 2.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 226, 227,
igr2= 231, 232, 233, 235, 236, 237,
&end
#
# 19 LEU QB 20 HIS HA 1.80 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 226, 227,
&end
#
# 19 LEU QB 20 HIS HD2 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 226, 227,
&end
#
# 19 LEU QQD 20 HIS HD2 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 231, 232, 233, 235, 236, 237,
&end
#
# 20 HIS HN 20 HIS HD2 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 241, 254, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 HIS HN 21 GLY HN 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 241, 258, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 20 HIS QB 20 HIS HD2 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr1= 245, 246,
&end
#
# 21 GLY HA2 105 ALA HA 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 260,1643, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 21 GLY HA2 105 ALA QB 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 260, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1645,1646,1647,
&end
#
# 21 GLY HA2 23 TRP HD1 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 260, 287, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 21 GLY HA2 23 TRP HE1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 260, 289, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 GLY HA2 23 TRP HN 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 260, 279, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 21 GLY HA3 105 ALA HA 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 261,1643, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 21 GLY HA3 105 ALA QB 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1645,1646,1647,
&end
#
# 21 GLY HA3 23 TRP HD1 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 261, 287, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 21 GLY HA3 23 TRP HE1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 261, 289, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 GLY HA3 23 TRP HN 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 261, 279, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 21 GLY HN 105 ALA QB 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1645,1646,1647,
&end
#
# 21 GLY QA 105 ALA HA 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1643, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 260, 261,
&end
#
# 21 GLY QA 105 ALA QB 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 260, 261,
igr2=1645,1646,1647,
&end
#
# 21 GLY QA 106 TYR HN 1.80 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1651, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 260, 261,
&end
#
# 21 GLY QA 23 TRP HD1 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 287, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 260, 261,
&end
#
# 21 GLY QA 23 TRP HE1 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 260, 261,
&end
#
# 22 ASN HA 24 THR QG2 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 309, 310, 311,
&end
#
# 22 ASN HB2 105 ALA QB 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1645,1646,1647,
&end
#
# 22 ASN HB2 106 TYR HB2 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 269,1655, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 22 ASN HB2 106 TYR HB3 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 269,1656, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 22 ASN HB2 106 TYR HN 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 269,1651, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 22 ASN HB2 106 TYR QD 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1659,1668,
&end
#
# 22 ASN HB2 107 SER HN 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 269,1672, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 22 ASN HB2 22 ASN HD21 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 269, 274, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 22 ASN HB2 22 ASN HD22 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 269, 275, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 22 ASN HB2 22 ASN QD2 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 274, 275,
&end
#
# 22 ASN HB2 24 THR QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 309, 310, 311,
&end
#
# 22 ASN HB3 106 TYR HB2 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 270,1655, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 22 ASN HB3 106 TYR HB3 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 270,1656, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 22 ASN HB3 106 TYR HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 270,1651, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 22 ASN HB3 106 TYR QD 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1659,1668,
&end
#
# 22 ASN HB3 106 TYR QE 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1661,1666,
&end
#
# 22 ASN HB3 107 SER HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 270,1672, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ASN HB3 22 ASN QD2 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 274, 275,
&end
#
# 22 ASN HB3 24 THR QG2 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 309, 310, 311,
&end
#
# 22 ASN HN 22 ASN HB2 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 265, 269, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 22 ASN HN 23 TRP HD1 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= 265, 287, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 22 ASN HN 23 TRP HN 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 265, 279, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 23 TRP HB2 94 VAL QG1 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1457,1458,1459,
&end
#
# 23 TRP HB3 94 VAL QG1 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1457,1458,1459,
&end
#
# 23 TRP HD1 103 ILE QD1 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=1620,1621,1622,
&end
#
# 23 TRP HD1 105 ALA HA 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 287,1643, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 23 TRP HD1 105 ALA QB 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1645,1646,1647,
&end
#
# 23 TRP HD1 106 TYR HN 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= 287,1651, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 23 TRP HD1 91 LEU QQD 1.80 5.22
&rst
ixpk= 0, nxpk= 0, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 23 TRP HD1 94 VAL QG1 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1457,1458,1459,
&end
#
# 23 TRP HD1 95 ARG+ HA 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= 287,1469, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 23 TRP HE1 103 ILE QD1 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1620,1621,1622,
&end
#
# 23 TRP HE1 103 ILE QG1 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1617,1618,
&end
#
# 23 TRP HE1 103 ILE QG2 1.80 5.18
&rst
ixpk= 0, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=1613,1614,1615,
&end
#
# 23 TRP HE1 105 ALA HA 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 289,1643, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 23 TRP HE1 105 ALA QB 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1645,1646,1647,
&end
#
# 23 TRP HE1 106 TYR HN 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 289,1651, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 23 TRP HE1 94 VAL QG1 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1457,1458,1459,
&end
#
# 23 TRP HE1 98 TYR HB2 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 289,1531, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 23 TRP HE1 98 TYR HB3 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= 289,1532, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 23 TRP HE3 106 TYR HB2 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= 298,1655, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 23 TRP HE3 106 TYR QD 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1659,1668,
&end
#
# 23 TRP HE3 106 TYR QE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1661,1666,
&end
#
# 23 TRP HE3 24 THR HN 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 298, 303, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 23 TRP HE3 27 ASN HB2 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 298, 355, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 23 TRP HE3 27 ASN HB3 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 298, 356, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 23 TRP HE3 27 ASN QB 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 355, 356,
&end
#
# 23 TRP HE3 27 ASN QD2 1.80 5.18
&rst
ixpk= 0, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 360, 361,
&end
#
# 23 TRP HE3 28 ALA HA 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 298, 367, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 23 TRP HE3 28 ALA HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 298, 365, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 23 TRP HE3 28 ALA QB 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 369, 370, 371,
&end
#
# 23 TRP HE3 31 ARG+ HB2 1.80 5.17
&rst
ixpk= 0, nxpk= 0, iat= 298, 411, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 23 TRP HE3 31 ARG+ HB3 1.80 5.17
&rst
ixpk= 0, nxpk= 0, iat= 298, 412, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 23 TRP HE3 31 ARG+ QB 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 411, 412,
&end
#
# 23 TRP HE3 31 ARG+ QG 1.80 5.13
&rst
ixpk= 0, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 414, 415,
&end
#
# 23 TRP HE3 91 LEU QQD 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 23 TRP HE3 94 VAL QG1 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1457,1458,1459,
&end
#
# 23 TRP HE3 94 VAL QG2 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1461,1462,1463,
&end
#
# 23 TRP HH2 103 ILE HB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 294,1611, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 TRP HH2 103 ILE QD1 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1620,1621,1622,
&end
#
# 23 TRP HH2 106 TYR HA 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= 294,1653, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 23 TRP HH2 106 TYR HB2 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= 294,1655, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 23 TRP HH2 106 TYR QD 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1659,1668,
&end
#
# 23 TRP HH2 106 TYR QE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1661,1666,
&end
#
# 23 TRP HH2 31 ARG+ HD2 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 294, 417, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 23 TRP HH2 31 ARG+ HD3 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 294, 418, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 23 TRP HH2 31 ARG+ HE 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 294, 420, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 23 TRP HH2 31 ARG+ QB 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 411, 412,
&end
#
# 23 TRP HH2 31 ARG+ QD 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 417, 418,
&end
#
# 23 TRP HH2 31 ARG+ QG 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 414, 415,
&end
#
# 23 TRP HN 106 TYR HN 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= 279,1651, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 23 TRP HN 23 TRP HA 2.80 100.0
&rst
ixpk= 0, nxpk= 0, iat= 279, 281, r1= 2.30, r2= 2.80, r3=100.00, r4=100.50, &end
#
# 23 TRP HN 23 TRP HB2 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 279, 283, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 23 TRP HN 23 TRP HB3 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 279, 284, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 23 TRP HN 23 TRP HE3 1.80 5.27
&rst
ixpk= 0, nxpk= 0, iat= 279, 298, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 23 TRP HN 23 TRP QB 1.80 3.07
&rst
ixpk= 0, nxpk= 0, iat= 279, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2= 283, 284,
&end
#
# 23 TRP HN 24 THR HN 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 279, 303, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 23 TRP HN 24 THR QG2 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= 279, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 309, 310, 311,
&end
#
# 23 TRP HZ2 103 ILE HB 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 292,1611, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 23 TRP HZ2 103 ILE QD1 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1620,1621,1622,
&end
#
# 23 TRP HZ2 103 ILE QG2 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1613,1614,1615,
&end
#
# 23 TRP HZ2 104 GLU- QG 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1633,1634,
&end
#
# 23 TRP HZ2 105 ALA HA 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= 292,1643, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 23 TRP HZ2 106 TYR HA 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 292,1653, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 23 TRP HZ2 106 TYR HB2 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= 292,1655, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 23 TRP HZ2 106 TYR QD 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1659,1668,
&end
#
# 23 TRP HZ2 31 ARG+ HE 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 292, 420, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 23 TRP HZ2 31 ARG+ QD 1.80 5.33
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 417, 418,
&end
#
# 23 TRP HZ2 31 ARG+ QG 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 414, 415,
&end
#
# 23 TRP HZ2 94 VAL QG1 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1457,1458,1459,
&end
#
# 23 TRP HZ3 106 TYR QD 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1659,1668,
&end
#
# 23 TRP HZ3 106 TYR QE 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1661,1666,
&end
#
# 23 TRP HZ3 27 ASN HB2 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 296, 355, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 23 TRP HZ3 27 ASN HB3 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 296, 356, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 23 TRP HZ3 27 ASN QB 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 355, 356,
&end
#
# 23 TRP HZ3 28 ALA HA 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 296, 367, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 23 TRP HZ3 31 ARG+ HB2 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 296, 411, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 23 TRP HZ3 31 ARG+ HB3 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 296, 412, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 23 TRP HZ3 31 ARG+ QD 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 417, 418,
&end
#
# 23 TRP HZ3 31 ARG+ QG 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 414, 415,
&end
#
# 23 TRP QB 23 TRP HD1 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 287, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1= 283, 284,
&end
#
# 23 TRP QB 24 THR HN 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 283, 284,
&end
#
# 23 TRP QB 28 ALA QB 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 283, 284,
igr2= 369, 370, 371,
&end
#
# 23 TRP QB 91 LEU QQD 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 283, 284,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 23 TRP QB 94 VAL QG1 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 283, 284,
igr2=1457,1458,1459,
&end
#
# 24 THR HA 24 THR QG2 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 309, 310, 311,
&end
#
# 24 THR HA 25 LEU HG 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 305, 324, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 THR HA 25 LEU HN 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 305, 317, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 24 THR HA 27 ASN HN 1.80 5.18
&rst
ixpk= 0, nxpk= 0, iat= 305, 351, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 24 THR HA 91 LEU QD1 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1411,1412,1413,
&end
#
# 24 THR HA 91 LEU QD2 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1415,1416,1417,
&end
#
# 24 THR HA 91 LEU QQD 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 24 THR HB 25 LEU HB2 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 307, 321, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 24 THR HB 25 LEU HG 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 307, 324, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 THR HB 25 LEU HN 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= 307, 317, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 24 THR HB 26 GLU- HN 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 307, 336, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 24 THR HB 27 ASN HN 1.80 5.36
&rst
ixpk= 0, nxpk= 0, iat= 307, 351, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 24 THR HN 24 THR QG2 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 309, 310, 311,
&end
#
# 24 THR HN 26 GLU- HN 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= 303, 336, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 24 THR HN 27 ASN HA 1.80 5.43
&rst
ixpk= 0, nxpk= 0, iat= 303, 353, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 24 THR HN 27 ASN HN 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 303, 351, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 24 THR HN 27 ASN QB 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 355, 356,
&end
#
# 24 THR HN 27 ASN QD2 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 360, 361,
&end
#
# 24 THR HN 28 ALA HN 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 303, 365, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 24 THR HN 28 ALA QB 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 369, 370, 371,
&end
#
# 24 THR HN 91 LEU QQD 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 24 THR QG2 25 LEU HN 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 309, 310, 311,
&end
#
# 24 THR QG2 26 GLU- HN 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 309, 310, 311,
&end
#
# 24 THR QG2 27 ASN HN 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 309, 310, 311,
&end
#
# 24 THR QG2 27 ASN 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= 309, 310, 311,
igr2= 355, 356,
&end
#
# 24 THR QG2 27 ASN QD2 1.80 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr1= 309, 310, 311,
igr2= 360, 361,
&end
#
# 25 LEU HA 25 LEU HG 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= 319, 324, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 25 LEU HA 25 LEU QQD 1.80 2.83
&rst
ixpk= 0, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 326, 327, 328, 330, 331, 332,
&end
#
# 25 LEU HA 27 ASN HN 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 319, 351, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 25 LEU HA 28 ALA HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 319, 365, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 25 LEU HA 91 LEU HG 1.80 5.35
&rst
ixpk= 0, nxpk= 0, iat= 319,1409, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 25 LEU HA 91 LEU QB 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1406,1407,
&end
#
# 25 LEU HA 91 LEU QD1 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1411,1412,1413,
&end
#
# 25 LEU HA 91 LEU QD2 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1415,1416,1417,
&end
#
# 25 LEU HA 91 LEU QQD 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 25 LEU HB2 25 LEU QQD 1.80 3.03
&rst
ixpk= 0, nxpk= 0, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 326, 327, 328, 330, 331, 332,
&end
#
# 25 LEU HB2 26 GLU- HN 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 321, 336, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 LEU HB2 87 GLN HG2 1.80 5.15
&rst
ixpk= 0, nxpk= 0, iat= 321,1360, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 25 LEU HB3 25 LEU QQD 1.80 3.02
&rst
ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 326, 327, 328, 330, 331, 332,
&end
#
# 25 LEU HB3 26 GLU- HN 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 322, 336, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 25 LEU HB3 26 GLU- QG 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2= 343, 344,
&end
#
# 25 LEU HB3 87 GLN HE21 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= 322,1365, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 25 LEU HB3 87 GLN HE22 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= 322,1366, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 25 LEU HB3 87 GLN HG2 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 322,1360, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 25 LEU HB3 87 GLN HG3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 322,1361, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 LEU HB3 87 GLN QE2 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1365,1366,
&end
#
# 25 LEU HG 26 GLU- HN 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= 324, 336, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 25 LEU HG 91 LEU QQD 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 25 LEU HN 25 LEU HB2 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 317, 321, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 25 LEU HN 25 LEU HB3 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 317, 322, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 25 LEU HN 25 LEU HG 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 317, 324, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 25 LEU HN 25 LEU QD1 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 326, 327, 328,
&end
#
# 25 LEU HN 25 LEU QD2 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 330, 331, 332,
&end
#
# 25 LEU HN 25 LEU QQD 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 326, 327, 328, 330, 331, 332,
&end
#
# 25 LEU HN 26 GLU- HN 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= 317, 336, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 25 LEU HN 27 ASN HN 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 317, 351, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 25 LEU HN 91 LEU QD1 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1411,1412,1413,
&end
#
# 25 LEU HN 91 LEU QD2 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1415,1416,1417,
&end
#
# 25 LEU HN 91 LEU QQD 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 25 LEU QQD 26 GLU- HN 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 326, 327, 328, 330, 331, 332,
&end
#
# 25 LEU QQD 87 GLN HA 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 326, 327, 328, 330, 331, 332,
&end
#
# 25 LEU QQD 87 GLN HB2 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1357, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 326, 327, 328, 330, 331, 332,
&end
#
# 25 LEU QQD 87 GLN HB3 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1358, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 326, 327, 328, 330, 331, 332,
&end
#
# 25 LEU QQD 87 GLN HG2 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1360, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 326, 327, 328, 330, 331, 332,
&end
#
# 25 LEU QQD 87 GLN HG3 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 326, 327, 328, 330, 331, 332,
&end
#
# 25 LEU QQD 87 GLN QE2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 326, 327, 328, 330, 331, 332,
igr2=1365,1366,
&end
#
# 25 LEU QQD 88 SER HA 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1372, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 326, 327, 328, 330, 331, 332,
&end
#
# 25 LEU QQD 88 SER HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1370, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 326, 327, 328, 330, 331, 332,
&end
#
# 25 LEU QQD 88 SER QB 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 326, 327, 328, 330, 331, 332,
igr2=1374,1375,
&end
#
# 25 LEU QQD 89 CYS HN 1.80 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1381, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1= 326, 327, 328, 330, 331, 332,
&end
#
# 25 LEU QQD 90 ALA QB 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr1= 326, 327, 328, 330, 331, 332,
igr2=1396,1397,1398,
&end
#
# 25 LEU QQD 91 LEU HN 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 326, 327, 328, 330, 331, 332,
&end
#
# 26 GLU- HA 26 GLU- HG2 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 338, 343, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 26 GLU- HA 26 GLU- HG3 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 338, 344, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 26 GLU- HA 26 GLU- QB 1.80 2.83
&rst
ixpk= 0, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr2= 340, 341,
&end
#
# 26 GLU- HA 26 GLU- QG 1.80 3.06
&rst
ixpk= 0, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2= 343, 344,
&end
#
# 26 GLU- HA 29 LYS+ HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 338, 375, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 26 GLU- HN 26 GLU- HG2 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 336, 343, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 26 GLU- HN 26 GLU- HG3 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 336, 344, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 26 GLU- HN 26 GLU- QB 1.80 2.98
&rst
ixpk= 0, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2= 340, 341,
&end
#
# 26 GLU- HN 26 GLU- QG 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 343, 344,
&end
#
# 26 GLU- HN 27 ASN HN 1.80 2.88
&rst
ixpk= 0, nxpk= 0, iat= 336, 351, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 26 GLU- QB 27 ASN HA 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 353, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 340, 341,
&end
#
# 26 GLU- QB 27 ASN HN 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 340, 341,
&end
#
# 26 GLU- QB 27 ASN QB 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 340, 341,
igr2= 355, 356,
&end
#
# 26 GLU- QB 28 ALA HN 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 340, 341,
&end
#
# 26 GLU- QG 27 ASN HN 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 343, 344,
&end
#
# 27 ASN HA 106 TYR QD 1.80 5.24
&rst
ixpk= 0, nxpk= 0, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1659,1668,
&end
#
# 27 ASN HA 27 ASN QD2 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 360, 361,
&end
#
# 27 ASN HA 30 ALA QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 401, 402, 403,
&end
#
# 27 ASN HB2 106 TYR QD 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1659,1668,
&end
#
# 27 ASN HB2 28 ALA HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 355, 365, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 27 ASN HB3 106 TYR QD 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1659,1668,
&end
#
# 27 ASN HB3 28 ALA HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 356, 365, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 27 ASN HD21 106 TYR QE 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2=1661,1666,
&end
#
# 27 ASN HD22 106 TYR QE 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2=1661,1666,
&end
#
# 27 ASN HN 106 TYR QE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1661,1666,
&end
#
# 27 ASN HN 27 ASN HB2 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 351, 355, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 27 ASN HN 27 ASN HB3 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 351, 356, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 27 ASN HN 27 ASN QD2 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 360, 361,
&end
#
# 27 ASN HN 28 ALA HN 1.80 2.92
&rst
ixpk= 0, nxpk= 0, iat= 351, 365, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 27 ASN HN 28 ALA QB 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 369, 370, 371,
&end
#
# 27 ASN HN 29 LYS+ HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 351, 375, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 27 ASN QB 106 TYR QD 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 355, 356,
igr2=1659,1668,
&end
#
# 27 ASN QB 106 TYR QE 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 355, 356,
igr2=1661,1666,
&end
#
# 27 ASN QB 28 ALA HA 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 355, 356,
&end
#
# 27 ASN QB 28 ALA QB 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 355, 356,
igr2= 369, 370, 371,
&end
#
# 27 ASN QD2 106 TYR 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= 360, 361,
igr2=1659,1668,
&end
#
# 28 ALA HA 31 ARG+ HB2 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 367, 411, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 28 ALA HA 31 ARG+ HB3 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 367, 412, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 28 ALA HA 31 ARG+ HN 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 367, 407, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 28 ALA HA 31 ARG+ QG 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 414, 415,
&end
#
# 28 ALA HA 32 LEU HN 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 367, 431, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 28 ALA HA 91 LEU QQD 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 28 ALA HA 94 VAL QG1 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1457,1458,1459,
&end
#
# 28 ALA HA 94 VAL QG2 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1461,1462,1463,
&end
#
# 28 ALA HN 28 ALA QB 1.80 2.90
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 369, 370, 371,
&end
#
# 28 ALA HN 29 LYS+ HN 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= 365, 375, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 28 ALA HN 31 ARG+ HN 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat= 365, 407, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 28 ALA HN 91 LEU QQD 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 28 ALA HN 94 VAL QG1 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1457,1458,1459,
&end
#
# 28 ALA HN 94 VAL QG2 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1461,1462,1463,
&end
#
# 28 ALA QB 29 LYS+ HA 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 377, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 369, 370, 371,
&end
#
# 28 ALA QB 29 LYS+ HN 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 375, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 369, 370, 371,
&end
#
# 28 ALA QB 91 LEU HA 1.80 2.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1404, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr1= 369, 370, 371,
&end
#
# 28 ALA QB 91 LEU HN 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 369, 370, 371,
&end
#
# 28 ALA QB 91 LEU QB 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 369, 370, 371,
igr2=1406,1407,
&end
#
# 28 ALA QB 91 LEU QD1 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 369, 370, 371,
igr2=1411,1412,1413,
&end
#
# 28 ALA QB 91 LEU QD2 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 369, 370, 371,
igr2=1415,1416,1417,
&end
#
# 28 ALA QB 91 LEU QQD 1.80 2.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 369, 370, 371,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 28 ALA QB 94 VAL HB 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1455, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 369, 370, 371,
&end
#
# 28 ALA QB 94 VAL HN 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1451, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 369, 370, 371,
&end
#
# 28 ALA QB 94 VAL QG1 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 369, 370, 371,
igr2=1457,1458,1459,
&end
#
# 28 ALA QB 94 VAL QG2 1.80 2.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 369, 370, 371,
igr2=1461,1462,1463,
&end
#
# 28 ALA QB 95 ARG+ HN 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1467, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 369, 370, 371,
&end
#
# 29 LYS+ HA 29 LYS+ HD2 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 377, 385, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 29 LYS+ HA 29 LYS+ HD3 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 377, 386, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 29 LYS+ HA 29 LYS+ QD 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 385, 386,
&end
#
# 29 LYS+ HA 29 LYS+ QG 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 382, 383,
&end
#
# 29 LYS+ HA 31 ARG+ HN 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 377, 407, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 LYS+ HA 32 LEU HB2 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 377, 435, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 29 LYS+ HA 32 LEU HB3 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 377, 436, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 29 LYS+ HA 32 LEU HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 377, 431, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 29 LYS+ HA 32 LEU QD2 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 444, 445, 446,
&end
#
# 29 LYS+ HA 33 ASN HN 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 377, 450, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 29 LYS+ HA 90 ALA QB 1.80 2.87
&rst
ixpk= 0, nxpk= 0, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2=1396,1397,1398,
&end
#
# 29 LYS+ HA 94 VAL QG2 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1461,1462,1463,
&end
#
# 29 LYS+ HB2 30 ALA HN 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 379, 397, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 29 LYS+ HB2 87 GLN HA 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 379,1355, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 29 LYS+ HB2 90 ALA QB 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1396,1397,1398,
&end
#
# 29 LYS+ HB3 30 ALA HN 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 380, 397, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 29 LYS+ HD2 30 ALA HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 385, 397, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 LYS+ HD2 86 ALA QB 1.80 5.49
&rst
ixpk= 0, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=1347,1348,1349,
&end
#
# 29 LYS+ HD3 30 ALA HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 386, 397, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 LYS+ HD3 86 ALA QB 1.80 5.49
&rst
ixpk= 0, nxpk= 0, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=1347,1348,1349,
&end
#
# 29 LYS+ HE2 45 TYR QE 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 666, 671,
&end
#
# 29 LYS+ HE2 86 ALA QB 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1347,1348,1349,
&end
#
# 29 LYS+ HE3 45 TYR QE 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 666, 671,
&end
#
# 29 LYS+ HE3 86 ALA QB 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1347,1348,1349,
&end
#
# 29 LYS+ HN 29 LYS+ HB2 1.80 3.04
&rst
ixpk= 0, nxpk= 0, iat= 375, 379, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 29 LYS+ HN 29 LYS+ HB3 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 375, 380, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 29 LYS+ HN 29 LYS+ HD2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 375, 385, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 LYS+ HN 29 LYS+ HD3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 375, 386, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 LYS+ HN 29 LYS+ QG 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 382, 383,
&end
#
# 29 LYS+ HN 30 ALA HN 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= 375, 397, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 29 LYS+ HN 90 ALA QB 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1396,1397,1398,
&end
#
# 29 LYS+ QD 86 ALA QB 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 385, 386,
igr2=1347,1348,1349,
&end
#
# 29 LYS+ QD 87 GLN HA 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 385, 386,
&end
#
# 29 LYS+ QD 87 GLN HG2 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1360, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 385, 386,
&end
#
# 29 LYS+ QD 87 GLN HG3 1.80 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 385, 386,
&end
#
# 29 LYS+ QD 87 GLN HN 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1353, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 385, 386,
&end
#
# 29 LYS+ QE 45 TYR QE 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= 388, 389,
igr2= 666, 671,
&end
#
# 29 LYS+ QE 86 ALA QB 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 388, 389,
igr2=1347,1348,1349,
&end
#
# 29 LYS+ QE 90 ALA QB 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 388, 389,
igr2=1396,1397,1398,
&end
#
# 29 LYS+ QG 29 LYS+ HE2 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 382, 383,
&end
#
# 29 LYS+ QG 29 LYS+ HE3 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 382, 383,
&end
#
# 29 LYS+ QG 29 LYS+ QE 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 382, 383,
igr2= 388, 389,
&end
#
# 29 LYS+ QG 87 GLN HG3 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 382, 383,
&end
#
# 29 LYS+ QG 87 GLN HN 1.80 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1353, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 382, 383,
&end
#
# 30 ALA HA 33 ASN HN 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 399, 450, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 30 ALA HA 33 ASN QB 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 454, 455,
&end
#
# 30 ALA HN 30 ALA QB 1.80 2.65
&rst
ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr2= 401, 402, 403,
&end
#
# 30 ALA HN 31 ARG+ HN 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat= 397, 407, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 30 ALA HN 33 ASN QB 1.80 5.36
&rst
ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 454, 455,
&end
#
# 30 ALA QB 31 ARG+ HN 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 407, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 401, 402, 403,
&end
#
# 30 ALA QB 33 ASN 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= 401, 402, 403,
igr2= 454, 455,
&end
#
# 30 ALA QB 34 GLN HG2 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 401, 402, 403,
&end
#
# 30 ALA QB 34 GLN HG3 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 401, 402, 403,
&end
#
# 30 ALA QB 34 GLN QG 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= 401, 402, 403,
igr2= 471, 472,
&end
#
# 31 ARG+ HA 31 ARG+ HD2 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 409, 417, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 31 ARG+ HA 31 ARG+ HD3 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 409, 418, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 31 ARG+ HA 31 ARG+ QD 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 417, 418,
&end
#
# 31 ARG+ HA 31 ARG+ QG 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 414, 415,
&end
#
# 31 ARG+ HA 34 GLN HB2 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 409, 468, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 31 ARG+ HA 34 GLN HB3 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 409, 469, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 31 ARG+ HA 34 GLN HG2 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 409, 471, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 31 ARG+ HA 34 GLN HG3 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 409, 472, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 31 ARG+ HA 34 GLN HN 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 409, 464, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 31 ARG+ HB2 32 LEU HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 411, 431, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 31 ARG+ HB2 94 VAL QG1 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=1457,1458,1459,
&end
#
# 31 ARG+ HB2 94 VAL QG2 1.80 5.17
&rst
ixpk= 0, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1461,1462,1463,
&end
#
# 31 ARG+ HB3 32 LEU HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 412, 431, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 31 ARG+ HB3 94 VAL QG1 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=1457,1458,1459,
&end
#
# 31 ARG+ HB3 94 VAL QG2 1.80 5.17
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1461,1462,1463,
&end
#
# 31 ARG+ HE 103 ILE HB 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 420,1611, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 31 ARG+ HE 103 ILE QD1 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1620,1621,1622,
&end
#
# 31 ARG+ HE 103 ILE QG2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1613,1614,1615,
&end
#
# 31 ARG+ HN 31 ARG+ HB2 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 407, 411, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 31 ARG+ HN 31 ARG+ HB3 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 407, 412, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 31 ARG+ HN 31 ARG+ QD 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 417, 418,
&end
#
# 31 ARG+ HN 31 ARG+ QG 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 414, 415,
&end
#
# 31 ARG+ HN 32 LEU HB2 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= 407, 435, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 31 ARG+ HN 32 LEU HB3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 407, 436, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 ARG+ HN 32 LEU HN 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 407, 431, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 31 ARG+ HN 33 ASN HN 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat= 407, 450, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 31 ARG+ HN 94 VAL QG2 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=1461,1462,1463,
&end
#
# 31 ARG+ QB 32 LEU HN 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 431, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 411, 412,
&end
#
# 31 ARG+ QB 94 VAL QG2 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= 411, 412,
igr2=1461,1462,1463,
&end
#
# 31 ARG+ QD 103 ILE HB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1611, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 417, 418,
&end
#
# 31 ARG+ QD 34 GLN HB2 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 468, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 417, 418,
&end
#
# 31 ARG+ QD 34 GLN HB3 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 469, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 417, 418,
&end
#
# 31 ARG+ QG 32 LEU HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 431, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 414, 415,
&end
#
# 31 ARG+ QG 94 VAL QG1 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 414, 415,
igr2=1457,1458,1459,
&end
#
# 32 LEU HA 32 LEU HG 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 433, 438, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 32 LEU HA 32 LEU QD1 1.80 2.89
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2= 440, 441, 442,
&end
#
# 32 LEU HA 32 LEU QD2 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 444, 445, 446,
&end
#
# 32 LEU HA 35 TYR HB2 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 433, 485, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 32 LEU HA 35 TYR HB3 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 433, 486, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 32 LEU HA 35 TYR HN 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 433, 481, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 32 LEU HA 35 TYR QD 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 489, 498,
&end
#
# 32 LEU HA 36 PHE HN 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 433, 502, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 32 LEU HA 94 VAL QG1 1.80 5.43
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2=1457,1458,1459,
&end
#
# 32 LEU HA 97 LEU QD1 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1517,1518,1519,
&end
#
# 32 LEU HB2 32 LEU QD1 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 440, 441, 442,
&end
#
# 32 LEU HB2 32 LEU QD2 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 444, 445, 446,
&end
#
# 32 LEU HB2 33 ASN HN 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 435, 450, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 32 LEU HB2 90 ALA HA 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 435,1394, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 32 LEU HB2 90 ALA QB 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1396,1397,1398,
&end
#
# 32 LEU HB2 94 VAL QG1 1.80 5.22
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=1457,1458,1459,
&end
#
# 32 LEU HB2 94 VAL QG2 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1461,1462,1463,
&end
#
# 32 LEU HB3 32 LEU QD1 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 440, 441, 442,
&end
#
# 32 LEU HB3 32 LEU QD2 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 444, 445, 446,
&end
#
# 32 LEU HB3 33 ASN HN 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= 436, 450, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 32 LEU HB3 36 PHE HZ 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 436, 514, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 LEU HB3 90 ALA QB 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1396,1397,1398,
&end
#
# 32 LEU HG 33 ASN HN 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 438, 450, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 32 LEU HG 35 TYR QD 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 489, 498,
&end
#
# 32 LEU HG 36 PHE QD 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 510, 518,
&end
#
# 32 LEU HN 32 LEU HB2 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= 431, 435, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 32 LEU HN 32 LEU HB3 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= 431, 436, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 32 LEU HN 32 LEU QD1 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 440, 441, 442,
&end
#
# 32 LEU HN 32 LEU QD2 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 444, 445, 446,
&end
#
# 32 LEU HN 33 ASN HN 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= 431, 450, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 32 LEU HN 33 ASN QB 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 454, 455,
&end
#
# 32 LEU HN 90 ALA QB 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1396,1397,1398,
&end
#
# 32 LEU HN 94 VAL QG1 1.80 5.19
&rst
ixpk= 0, nxpk= 0, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=1457,1458,1459,
&end
#
# 32 LEU HN 94 VAL QG2 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1461,1462,1463,
&end
#
# 32 LEU QD1 33 ASN HN 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 450, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 440, 441, 442,
&end
#
# 32 LEU QD1 35 TYR HB2 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 440, 441, 442,
&end
#
# 32 LEU QD1 35 TYR HB3 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 440, 441, 442,
&end
#
# 32 LEU QD1 35 TYR HN 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 481, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 440, 441, 442,
&end
#
# 32 LEU QD1 35 TYR QD 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= 440, 441, 442,
igr2= 489, 498,
&end
#
# 32 LEU QD1 35 TYR QE 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 440, 441, 442,
igr2= 491, 496,
&end
#
# 32 LEU QD1 36 PHE HZ 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 514, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 440, 441, 442,
&end
#
# 32 LEU QD1 36 PHE QD 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 440, 441, 442,
igr2= 510, 518,
&end
#
# 32 LEU QD1 36 PHE QE 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= 440, 441, 442,
igr2= 512, 516,
&end
#
# 32 LEU QD1 64 ILE HG13 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 440, 441, 442,
&end
#
# 32 LEU QD1 64 ILE QD1 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= 440, 441, 442,
igr2= 974, 975, 976,
&end
#
# 32 LEU QD1 64 ILE QG2 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 440, 441, 442,
igr2= 967, 968, 969,
&end
#
# 32 LEU QD1 90 ALA HA 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1394, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 440, 441, 442,
&end
#
# 32 LEU QD1 90 ALA QB 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 440, 441, 442,
igr2=1396,1397,1398,
&end
#
# 32 LEU QD1 93 LEU HB2 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 440, 441, 442,
&end
#
# 32 LEU QD1 93 LEU HB3 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1437, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 440, 441, 442,
&end
#
# 32 LEU QD1 93 LEU HN 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1432, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 440, 441, 442,
&end
#
# 32 LEU QD1 93 LEU QD2 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 440, 441, 442,
igr2=1445,1446,1447,
&end
#
# 32 LEU QD1 94 VAL HA 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1453, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 440, 441, 442,
&end
#
# 32 LEU QD1 94 VAL HN 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1451, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 440, 441, 442,
&end
#
# 32 LEU QD1 94 VAL QG2 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 440, 441, 442,
igr2=1461,1462,1463,
&end
#
# 32 LEU QD1 97 LEU QD1 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 440, 441, 442,
igr2=1517,1518,1519,
&end
#
# 32 LEU QD2 33 ASN HN 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 450, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 444, 445, 446,
&end
#
# 32 LEU QD2 36 PHE HZ 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 514, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 444, 445, 446,
&end
#
# 32 LEU QD2 36 PHE QD 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 444, 445, 446,
igr2= 510, 518,
&end
#
# 32 LEU QD2 36 PHE QE 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= 444, 445, 446,
igr2= 512, 516,
&end
#
# 32 LEU QD2 45 TYR QE 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= 444, 445, 446,
igr2= 666, 671,
&end
#
# 32 LEU QD2 90 ALA HA 1.80 3.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1394, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1= 444, 445, 446,
&end
#
# 32 LEU QD2 90 ALA HN 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1392, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 444, 445, 446,
&end
#
# 32 LEU QD2 90 ALA QB 1.80 2.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 444, 445, 446,
igr2=1396,1397,1398,
&end
#
# 32 LEU QD2 93 LEU HB2 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 444, 445, 446,
&end
#
# 32 LEU QD2 93 LEU HB3 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1437, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 444, 445, 446,
&end
#
# 32 LEU QD2 94 VAL HN 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1451, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 444, 445, 446,
&end
#
# 33 ASN HA 36 PHE HB2 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 452, 506, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 33 ASN HA 36 PHE HB3 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= 452, 507, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 33 ASN HA 36 PHE HN 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 452, 502, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 33 ASN HA 36 PHE QD 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 510, 518,
&end
#
# 33 ASN HN 33 ASN QB 1.80 2.96
&rst
ixpk= 0, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2= 454, 455,
&end
#
# 33 ASN HN 34 GLN HB2 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 450, 468, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 33 ASN HN 34 GLN HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 450, 464, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 33 ASN HN 36 PHE QD 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 510, 518,
&end
#
# 33 ASN QB 33 ASN HD21 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 454, 455,
&end
#
# 33 ASN QB 33 ASN HD22 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 454, 455,
&end
#
# 33 ASN QB 34 GLN HA 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 454, 455,
&end
#
# 33 ASN QB 34 GLN HN 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1= 454, 455,
&end
#
# 34 GLN HA 34 GLN HG2 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= 466, 471, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 34 GLN HA 34 GLN HG3 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= 466, 472, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 34 GLN HA 34 GLN QG 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 471, 472,
&end
#
# 34 GLN HA 36 PHE HN 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 466, 502, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 34 GLN HB2 35 TYR HN 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 468, 481, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 34 GLN HB3 35 TYR HN 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 469, 481, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 34 GLN HB3 36 PHE HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 469, 502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 GLN HN 34 GLN HB2 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat= 464, 468, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 34 GLN HN 34 GLN HB3 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 464, 469, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 34 GLN HN 34 GLN HG2 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 464, 471, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 34 GLN HN 34 GLN HG3 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 464, 472, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 34 GLN HN 34 GLN QG 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 471, 472,
&end
#
# 34 GLN HN 35 TYR HN 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 464, 481, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 34 GLN QG 34 GLN QE2 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 471, 472,
igr2= 476, 477,
&end
#
# 35 TYR HA 35 TYR QD 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 489, 498,
&end
#
# 35 TYR HA 35 TYR QE 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 491, 496,
&end
#
# 35 TYR HA 38 LYS+ HB2 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 483, 543, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 35 TYR HA 38 LYS+ HN 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 483, 539, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 35 TYR HA 39 GLU- HN 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= 483, 561, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 35 TYR HB2 103 ILE QG2 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=1613,1614,1615,
&end
#
# 35 TYR HB2 36 PHE HN 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 485, 502, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 35 TYR HB2 97 LEU QD1 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1517,1518,1519,
&end
#
# 35 TYR HB3 36 PHE HN 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 486, 502, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 35 TYR HN 35 TYR HB2 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 481, 485, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 35 TYR HN 35 TYR HB3 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 481, 486, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 35 TYR HN 35 TYR QD 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 489, 498,
&end
#
# 35 TYR HN 36 PHE HN 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= 481, 502, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 35 TYR QD 102 VAL QG1 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 489, 498,
igr2=1597,1598,1599,
&end
#
# 35 TYR QD 103 ILE QG2 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 489, 498,
igr2=1613,1614,1615,
&end
#
# 35 TYR QD 36 PHE HA 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 489, 498,
&end
#
# 35 TYR QD 36 PHE HN 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 489, 498,
&end
#
# 35 TYR QD 36 PHE QD 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= 489, 498,
igr2= 510, 518,
&end
#
# 35 TYR QD 36 PHE QE 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 489, 498,
igr2= 512, 516,
&end
#
# 35 TYR QD 41 ILE HB 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 489, 498,
&end
#
# 35 TYR QD 41 ILE QD1 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 489, 498,
igr2= 611, 612, 613,
&end
#
# 35 TYR QD 41 ILE QG2 1.80 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1= 489, 498,
igr2= 604, 605, 606,
&end
#
# 35 TYR QD 64 ILE QG2 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= 489, 498,
igr2= 967, 968, 969,
&end
#
# 35 TYR QD 66 ILE QD1 1.80 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 489, 498,
igr2=1014,1015,1016,
&end
#
# 35 TYR QD 97 LEU QD1 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 489, 498,
igr2=1517,1518,1519,
&end
#
# 35 TYR QD 97 LEU QD2 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 489, 498,
igr2=1521,1522,1523,
&end
#
# 35 TYR QE 102 VAL QG1 1.80 2.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 491, 496,
igr2=1597,1598,1599,
&end
#
# 35 TYR QE 103 ILE QG2 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 491, 496,
igr2=1613,1614,1615,
&end
#
# 35 TYR QE 36 PHE QD 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 491, 496,
igr2= 510, 518,
&end
#
# 35 TYR QE 36 PHE QE 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 491, 496,
igr2= 512, 516,
&end
#
# 35 TYR QE 39 GLU- HB2 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 491, 496,
&end
#
# 35 TYR QE 39 GLU- HG2 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 491, 496,
&end
#
# 35 TYR QE 39 GLU- HG3 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 491, 496,
&end
#
# 35 TYR QE 39 GLU- QG 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= 491, 496,
igr2= 568, 569,
&end
#
# 35 TYR QE 41 ILE QD1 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= 491, 496,
igr2= 611, 612, 613,
&end
#
# 35 TYR QE 41 ILE QG2 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 491, 496,
igr2= 604, 605, 606,
&end
#
# 35 TYR QE 64 ILE HB 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 491, 496,
&end
#
# 35 TYR QE 64 ILE QG2 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 491, 496,
igr2= 967, 968, 969,
&end
#
# 35 TYR QE 66 ILE QD1 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 491, 496,
igr2=1014,1015,1016,
&end
#
# 35 TYR QE 97 LEU QD1 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 491, 496,
igr2=1517,1518,1519,
&end
#
# 35 TYR QE 97 LEU QD2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 491, 496,
igr2=1521,1522,1523,
&end
#
# 36 PHE HA 36 PHE QD 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 510, 518,
&end
#
# 36 PHE HA 39 GLU- HB2 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 504, 565, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 36 PHE HA 39 GLU- HN 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 504, 561, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 36 PHE HA 40 LYS+ HN 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 504, 576, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 36 PHE HA 41 ILE HB 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 504, 602, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 36 PHE HA 41 ILE HN 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= 504, 598, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 36 PHE HA 41 ILE QD1 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 611, 612, 613,
&end
#
# 36 PHE HA 41 ILE QG2 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 604, 605, 606,
&end
#
# 36 PHE HB2 37 GLN HA 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 506, 524, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 36 PHE HB2 37 GLN HN 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 506, 522, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 36 PHE HB2 37 GLN QB 1.80 5.05
&rst
ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 526, 527,
&end
#
# 36 PHE HB2 41 ILE HB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 506, 602, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 PHE HB2 41 ILE HN 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= 506, 598, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 36 PHE HB2 42 GLN HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 506, 619, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 PHE HB3 37 GLN HA 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= 507, 524, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 36 PHE HB3 37 GLN HN 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 507, 522, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 36 PHE HB3 41 ILE HB 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 507, 602, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 36 PHE HB3 41 ILE HN 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 507, 598, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 36 PHE HB3 42 GLN HA 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 507, 619, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 36 PHE HB3 43 GLY HN 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 507, 634, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 36 PHE HN 36 PHE HB2 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 502, 506, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 36 PHE HN 36 PHE HB3 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= 502, 507, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 36 PHE HN 36 PHE QD 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 510, 518,
&end
#
# 36 PHE HN 36 PHE QE 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 512, 516,
&end
#
# 36 PHE HN 37 GLN HN 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= 502, 522, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 36 PHE HN 37 GLN QB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 526, 527,
&end
#
# 36 PHE HN 37 GLN QG 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 529, 530,
&end
#
# 36 PHE HN 41 ILE HB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 502, 602, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 PHE HZ 43 GLY HA3 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 514, 637, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 36 PHE HZ 62 MET HG2 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 514, 937, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 36 PHE HZ 64 ILE HG12 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= 514, 971, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 36 PHE HZ 64 ILE HG13 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 514, 972, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 PHE HZ 64 ILE QD1 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 974, 975, 976,
&end
#
# 36 PHE HZ 64 ILE QG2 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 967, 968, 969,
&end
#
# 36 PHE QD 37 GLN HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 510, 518,
&end
#
# 36 PHE QD 41 ILE HB 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 510, 518,
&end
#
# 36 PHE QD 41 ILE HG12 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 510, 518,
&end
#
# 36 PHE QD 41 ILE HG13 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 609, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 510, 518,
&end
#
# 36 PHE QD 41 ILE HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 510, 518,
&end
#
# 36 PHE QD 41 ILE QD1 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 510, 518,
igr2= 611, 612, 613,
&end
#
# 36 PHE QD 41 ILE QG2 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 510, 518,
igr2= 604, 605, 606,
&end
#
# 36 PHE QE 41 ILE HB 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 512, 516,
&end
#
# 36 PHE QE 41 ILE QD1 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= 512, 516,
igr2= 611, 612, 613,
&end
#
# 36 PHE QE 41 ILE QG2 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= 512, 516,
igr2= 604, 605, 606,
&end
#
# 36 PHE QE 43 GLY HA3 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 512, 516,
&end
#
# 36 PHE QE 64 ILE HG12 1.80 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 512, 516,
&end
#
# 36 PHE QE 64 ILE HG13 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 512, 516,
&end
#
# 36 PHE QE 64 ILE QD1 1.80 2.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr1= 512, 516,
igr2= 974, 975, 976,
&end
#
# 36 PHE QE 64 ILE QG2 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= 512, 516,
igr2= 967, 968, 969,
&end
#
# 37 GLN HA 37 GLN QE2 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 534, 535,
&end
#
# 37 GLN HA 37 GLN QG 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 529, 530,
&end
#
# 37 GLN HA 40 LYS+ HN 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 524, 576, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 37 GLN HA 40 LYS+ QG 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 583, 584,
&end
#
# 37 GLN HA 41 ILE HN 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat= 524, 598, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 37 GLN HB2 38 LYS+ QG 1.80 5.23
&rst
ixpk= 0, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 546, 547,
&end
#
# 37 GLN HB3 38 LYS+ QG 1.80 5.23
&rst
ixpk= 0, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 546, 547,
&end
#
# 37 GLN HN 37 GLN HG2 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 522, 529, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 37 GLN HN 37 GLN HG3 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 522, 530, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 37 GLN HN 37 GLN QB 1.80 2.89
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 526, 527,
&end
#
# 37 GLN HN 37 GLN QG 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 529, 530,
&end
#
# 37 GLN HN 38 LYS+ HB2 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 522, 543, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 37 GLN QB 38 LYS+ HN 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 526, 527,
&end
#
# 37 GLN QB 38 LYS+ QG 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 526, 527,
igr2= 546, 547,
&end
#
# 38 LYS+ HA 38 LYS+ HD2 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 541, 549, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 38 LYS+ HA 38 LYS+ HD3 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 541, 550, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 38 LYS+ HA 38 LYS+ QE 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 552, 553,
&end
#
# 38 LYS+ HA 38 LYS+ QG 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2= 546, 547,
&end
#
# 38 LYS+ HB2 38 LYS+ QE 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2= 552, 553,
&end
#
# 38 LYS+ HB2 39 GLU- HN 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 543, 561, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 38 LYS+ HB2 40 LYS+ HN 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat= 543, 576, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 38 LYS+ HB3 38 LYS+ QE 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 552, 553,
&end
#
# 38 LYS+ HB3 39 GLU- HN 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 544, 561, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 38 LYS+ HB3 40 LYS+ HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 544, 576, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 LYS+ HN 38 LYS+ HB2 1.80 2.98
&rst
ixpk= 0, nxpk= 0, iat= 539, 543, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 38 LYS+ HN 38 LYS+ HB3 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 539, 544, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 38 LYS+ HN 38 LYS+ QD 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 549, 550,
&end
#
# 38 LYS+ HN 38 LYS+ QG 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 546, 547,
&end
#
# 38 LYS+ QD 39 GLU- HN 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 561, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 549, 550,
&end
#
# 38 LYS+ QG 38 LYS+ QE 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1= 546, 547,
igr2= 552, 553,
&end
#
# 38 LYS+ QG 39 GLU- HN 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 561, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 546, 547,
&end
#
# 39 GLU- HA 39 GLU- HG2 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 563, 568, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 39 GLU- HA 39 GLU- HG3 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 563, 569, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 39 GLU- HA 39 GLU- QG 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 568, 569,
&end
#
# 39 GLU- HA 40 LYS+ QG 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 583, 584,
&end
#
# 39 GLU- HB2 40 LYS+ HN 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 565, 576, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 39 GLU- HB2 41 ILE HN 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= 565, 598, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 39 GLU- HB2 41 ILE QD1 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 611, 612, 613,
&end
#
# 39 GLU- HB3 40 LYS+ HN 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 566, 576, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 39 GLU- HB3 41 ILE HG13 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 566, 609, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 39 GLU- HB3 41 ILE HN 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 566, 598, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 39 GLU- HB3 41 ILE QD1 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 611, 612, 613,
&end
#
# 39 GLU- HB3 41 ILE QG2 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 604, 605, 606,
&end
#
# 39 GLU- HN 39 GLU- HB2 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= 561, 565, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 39 GLU- HN 39 GLU- HB3 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 561, 566, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 39 GLU- HN 39 GLU- HG2 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 561, 568, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 39 GLU- HN 39 GLU- HG3 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 561, 569, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 39 GLU- HN 39 GLU- QG 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 568, 569,
&end
#
# 39 GLU- HN 40 LYS+ HN 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= 561, 576, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 39 GLU- HN 41 ILE QD1 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 611, 612, 613,
&end
#
# 39 GLU- QG 41 ILE QD1 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= 568, 569,
igr2= 611, 612, 613,
&end
#
# 40 LYS+ HA 40 LYS+ HD2 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 578, 586, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 40 LYS+ HA 40 LYS+ HD3 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 578, 587, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 40 LYS+ HA 40 LYS+ QG 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 583, 584,
&end
#
# 40 LYS+ HA 41 ILE HG13 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= 578, 609, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 40 LYS+ HA 41 ILE HN 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat= 578, 598, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 40 LYS+ HB2 41 ILE HN 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 580, 598, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 40 LYS+ HB3 41 ILE HN 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 581, 598, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 40 LYS+ HN 40 LYS+ HA 1.80 2.87
&rst
ixpk= 0, nxpk= 0, iat= 576, 578, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 40 LYS+ HN 40 LYS+ HD2 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 576, 586, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 40 LYS+ HN 40 LYS+ HD3 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 576, 587, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 40 LYS+ HN 40 LYS+ QD 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 586, 587,
&end
#
# 40 LYS+ HN 40 LYS+ QG 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 583, 584,
&end
#
# 40 LYS+ HN 41 ILE HA 1.80 5.38
&rst
ixpk= 0, nxpk= 0, iat= 576, 600, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 40 LYS+ HN 41 ILE HB 1.80 5.05
&rst
ixpk= 0, nxpk= 0, iat= 576, 602, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 40 LYS+ HN 41 ILE HG13 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= 576, 609, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 40 LYS+ HN 41 ILE HN 1.80 3.11
&rst
ixpk= 0, nxpk= 0, iat= 576, 598, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 40 LYS+ HN 41 ILE QD1 1.80 5.15
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2= 611, 612, 613,
&end
#
# 40 LYS+ QB 40 LYS+ QE 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 580, 581,
igr2= 589, 590,
&end
#
# 40 LYS+ QB 41 ILE HA 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 580, 581,
&end
#
# 40 LYS+ QB 41 ILE HN 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 580, 581,
&end
#
# 40 LYS+ QG 40 LYS+ QE 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1= 583, 584,
igr2= 589, 590,
&end
#
# 40 LYS+ QG 41 ILE HN 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 583, 584,
&end
#
# 41 ILE HA 41 ILE HG12 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= 600, 608, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 41 ILE HA 41 ILE HG13 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 600, 609, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 41 ILE HA 41 ILE QD1 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 611, 612, 613,
&end
#
# 41 ILE HA 41 ILE QG2 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 604, 605, 606,
&end
#
# 41 ILE HA 42 GLN HN 1.80 2.72
&rst
ixpk= 0, nxpk= 0, iat= 600, 617, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, &end
#
# 41 ILE HA 42 GLN QB 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 621, 622,
&end
#
# 41 ILE HA 42 GLN QG 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 624, 625,
&end
#
# 41 ILE HB 41 ILE QD1 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 611, 612, 613,
&end
#
# 41 ILE HB 42 GLN HN 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 602, 617, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 41 ILE HG12 42 GLN HN 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 608, 617, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 41 ILE HG13 42 GLN HN 1.80 5.20
&rst
ixpk= 0, nxpk= 0, iat= 609, 617, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 41 ILE HN 41 ILE HB 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= 598, 602, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 41 ILE HN 41 ILE HG12 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 598, 608, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 41 ILE HN 41 ILE HG13 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 598, 609, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 41 ILE HN 41 ILE QD1 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 598, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 611, 612, 613,
&end
#
# 41 ILE HN 41 ILE QG2 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 598, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 604, 605, 606,
&end
#
# 41 ILE QD1 42 GLN HN 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 611, 612, 613,
&end
#
# 41 ILE QD1 65 TYR HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 611, 612, 613,
&end
#
# 41 ILE QG2 41 ILE HG12 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 604, 605, 606,
&end
#
# 41 ILE QG2 41 ILE HG13 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 609, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 604, 605, 606,
&end
#
# 41 ILE QG2 41 ILE QD1 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= 604, 605, 606,
igr2= 611, 612, 613,
&end
#
# 41 ILE QG2 42 GLN HA 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 619, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 604, 605, 606,
&end
#
# 41 ILE QG2 42 GLN HN 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 604, 605, 606,
&end
#
# 41 ILE QG2 42 GLN 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= 604, 605, 606,
igr2= 624, 625,
&end
#
# 41 ILE QG2 43 GLY HA2 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 636, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 604, 605, 606,
&end
#
# 41 ILE QG2 43 GLY HA3 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 604, 605, 606,
&end
#
# 41 ILE QG2 43 GLY HN 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 604, 605, 606,
&end
#
# 41 ILE QG2 64 ILE HB 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 604, 605, 606,
&end
#
# 41 ILE QG2 64 ILE QG2 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 604, 605, 606,
igr2= 967, 968, 969,
&end
#
# 41 ILE QG2 65 TYR HN 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 604, 605, 606,
&end
#
# 41 ILE QG2 65 TYR QD 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= 604, 605, 606,
igr2= 988, 997,
&end
#
# 42 GLN HA 42 GLN QG 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 624, 625,
&end
#
# 42 GLN HA 43 GLY HA3 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 619, 637, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 42 GLN HA 43 GLY HN 1.80 2.69
&rst
ixpk= 0, nxpk= 0, iat= 619, 634, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, &end
#
# 42 GLN HB2 43 GLY HA2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 621, 636, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 GLN HB2 43 GLY HN 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 621, 634, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 42 GLN HB3 43 GLY HA2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 622, 636, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 GLN HB3 43 GLY HN 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 622, 634, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 42 GLN HN 42 GLN HB2 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= 617, 621, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 42 GLN HN 42 GLN HB3 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= 617, 622, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 42 GLN HN 42 GLN QB 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 621, 622,
&end
#
# 42 GLN HN 42 GLN QG 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 624, 625,
&end
#
# 42 GLN QB 43 GLY HN 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 621, 622,
&end
#
# 42 GLN QG 43 GLY HN 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 624, 625,
&end
#
# 43 GLY HA2 44 GLU- HN 1.80 2.77
&rst
ixpk= 0, nxpk= 0, iat= 636, 641, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end
#
# 43 GLY HA2 44 GLU- QB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 645, 646,
&end
#
# 43 GLY HA2 44 GLU- QG 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 648, 649,
&end
#
# 43 GLY HA2 62 MET QE 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 941, 942, 943,
&end
#
# 43 GLY HA2 64 ILE QG2 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 967, 968, 969,
&end
#
# 43 GLY HA3 44 GLU- HA 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat= 637, 643, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 43 GLY HA3 44 GLU- HN 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= 637, 641, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 43 GLY HA3 62 MET QE 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 941, 942, 943,
&end
#
# 43 GLY HA3 64 ILE QG2 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 967, 968, 969,
&end
#
# 43 GLY HN 62 MET QE 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2= 941, 942, 943,
&end
#
# 44 GLU- HA 44 GLU- HG2 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 643, 648, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 44 GLU- HA 44 GLU- HG3 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 643, 649, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 44 GLU- HA 45 TYR HN 1.80 2.72
&rst
ixpk= 0, nxpk= 0, iat= 643, 656, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, &end
#
# 44 GLU- HA 45 TYR QD 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 664, 673,
&end
#
# 44 GLU- HA 62 MET QE 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 941, 942, 943,
&end
#
# 44 GLU- HB2 45 TYR HN 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 645, 656, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 44 GLU- HB3 45 TYR HN 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 646, 656, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 44 GLU- HN 44 GLU- HB2 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 641, 645, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 44 GLU- HN 44 GLU- HB3 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 641, 646, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 44 GLU- HN 44 GLU- QB 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 645, 646,
&end
#
# 44 GLU- HN 44 GLU- QG 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 648, 649,
&end
#
# 44 GLU HN 45 TYR HN 4.00 100.0
&rst
ixpk= 0, nxpk= 0, iat= 641, 656, r1= 3.50, r2= 4.00, r3=100.00, r4=100.50, &end
#
# 44 GLU- HN 62 MET HG3 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 641, 938, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 44 GLU- HN 62 MET QE 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 941, 942, 943,
&end
#
# 44 GLU- QB 45 TYR HN 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 645, 646,
&end
#
# 44 GLU- QB 62 MET QE 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 645, 646,
igr2= 941, 942, 943,
&end
#
# 44 GLU- QG 45 TYR HN 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 648, 649,
&end
#
# 45 TYR HA 45 TYR QD 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 664, 673,
&end
#
# 45 TYR HA 45 TYR QE 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 666, 671,
&end
#
# 45 TYR HA 46 LYS+ HN 1.80 3.01
&rst
ixpk= 0, nxpk= 0, iat= 658, 677, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 45 TYR HA 46 LYS+ QB 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 681, 682,
&end
#
# 45 TYR HA 60 ALA QB 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 909, 910, 911,
&end
#
# 45 TYR HA 61 GLU- HN 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 658, 915, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 45 TYR HA 62 MET HB2 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 658, 934, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 45 TYR HA 62 MET HB3 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat= 658, 935, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 45 TYR HA 62 MET HG3 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= 658, 938, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 45 TYR HA 62 MET QE 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 941, 942, 943,
&end
#
# 45 TYR HB2 46 LYS+ HN 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 660, 677, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 45 TYR HB2 47 TYR QE 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 660, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 709, 714,
&end
#
# 45 TYR HB2 60 ALA QB 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 660, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 909, 910, 911,
&end
#
# 45 TYR HB2 62 MET QE 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 660, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 941, 942, 943,
&end
#
# 45 TYR HB2 86 ALA QB 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 660, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1347,1348,1349,
&end
#
# 45 TYR HB3 46 LYS+ HN 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 661, 677, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 45 TYR HB3 47 TYR QE 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 709, 714,
&end
#
# 45 TYR HB3 60 ALA QB 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 909, 910, 911,
&end
#
# 45 TYR HB3 62 MET QE 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 941, 942, 943,
&end
#
# 45 TYR HB3 86 ALA QB 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=1347,1348,1349,
&end
#
# 45 TYR HN 45 TYR HA 2.80 100.0
&rst
ixpk= 0, nxpk= 0, iat= 656, 658, r1= 2.30, r2= 2.80, r3=100.00, r4=100.50, &end
#
# 45 TYR HN 45 TYR HB2 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= 656, 660, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 45 TYR HN 45 TYR HB3 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 656, 661, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 45 TYR HN 45 TYR QD 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 664, 673,
&end
#
# 45 TYR HN 45 TYR QE 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 666, 671,
&end
#
# 45 TYR HN 47 TYR QE 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 709, 714,
&end
#
# 45 TYR HN 62 MET QE 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 941, 942, 943,
&end
#
# 45 TYR QD 46 LYS+ HN 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 677, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 664, 673,
&end
#
# 45 TYR QD 60 ALA QB 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 664, 673,
igr2= 909, 910, 911,
&end
#
# 45 TYR QD 62 MET HB2 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 664, 673,
&end
#
# 45 TYR QD 62 MET HB3 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 664, 673,
&end
#
# 45 TYR QD 62 MET HG3 1.80 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 664, 673,
&end
#
# 45 TYR QD 62 MET HN 1.80 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 664, 673,
&end
#
# 45 TYR QD 62 MET QE 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 664, 673,
igr2= 941, 942, 943,
&end
#
# 45 TYR QD 86 ALA HA 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 664, 673,
&end
#
# 45 TYR QD 86 ALA QB 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 664, 673,
igr2=1347,1348,1349,
&end
#
# 45 TYR QD 89 CYS HB2 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 664, 673,
&end
#
# 45 TYR QD 89 CYS HB3 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 664, 673,
&end
#
# 45 TYR QD 89 CYS HG 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 664, 673,
&end
#
# 45 TYR QD 90 ALA HN 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1392, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 664, 673,
&end
#
# 45 TYR QE 60 ALA QB 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 666, 671,
igr2= 909, 910, 911,
&end
#
# 45 TYR QE 62 MET HB2 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 666, 671,
&end
#
# 45 TYR QE 62 MET QE 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= 666, 671,
igr2= 941, 942, 943,
&end
#
# 45 TYR QE 86 ALA HA 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 666, 671,
&end
#
# 45 TYR QE 86 ALA QB 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= 666, 671,
igr2=1347,1348,1349,
&end
#
# 45 TYR QE 89 CYS HA 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 666, 671,
&end
#
# 45 TYR QE 89 CYS HB2 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 666, 671,
&end
#
# 45 TYR QE 89 CYS HB3 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 666, 671,
&end
#
# 45 TYR QE 89 CYS HG 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 666, 671,
&end
#
# 45 TYR QE 89 CYS HN 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1381, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 666, 671,
&end
#
# 45 TYR QE 90 ALA HA 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1394, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 666, 671,
&end
#
# 45 TYR QE 90 ALA HN 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1392, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 666, 671,
&end
#
# 45 TYR QE 90 ALA QB 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= 666, 671,
igr2=1396,1397,1398,
&end
#
# 45 TYR QE 93 LEU QD2 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= 666, 671,
igr2=1445,1446,1447,
&end
#
# 46 LYS+ HA 46 LYS+ HD2 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 679, 687, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 46 LYS+ HA 46 LYS+ HD3 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 679, 688, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 46 LYS+ HA 46 LYS+ HG2 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 679, 684, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 46 LYS+ HA 46 LYS+ HG3 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 679, 685, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 46 LYS+ HA 46 LYS+ QG 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 684, 685,
&end
#
# 46 LYS+ HA 47 TYR HA 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= 679, 701, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 46 LYS+ HA 47 TYR HN 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 679, 699, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 46 LYS+ HA 47 TYR QB 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 703, 704,
&end
#
# 46 LYS+ HA 47 TYR QD 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 707, 716,
&end
#
# 46 LYS+ HG2 46 LYS+ QE 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 684, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 690, 691,
&end
#
# 46 LYS+ HG3 46 LYS+ QE 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 690, 691,
&end
#
# 46 LYS+ HN 46 LYS+ HG2 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= 677, 684, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 46 LYS+ HN 46 LYS+ HG3 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= 677, 685, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 46 LYS+ HN 46 LYS+ QB 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= 677, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 681, 682,
&end
#
# 46 LYS+ HN 46 LYS+ QD 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= 677, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 687, 688,
&end
#
# 46 LYS+ HN 46 LYS+ QG 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 677, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 684, 685,
&end
#
# 46 LYS+ HN 60 ALA HA 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 677, 907, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 46 LYS+ HN 61 GLU- HG3 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 677, 923, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 46 LYS+ HN 61 GLU- HN 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= 677, 915, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 46 LYS+ HN 62 MET HB2 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= 677, 934, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 46 LYS+ HN 62 MET QE 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 677, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 941, 942, 943,
&end
#
# 46 LYS+ QB 47 TYR HN 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 681, 682,
&end
#
# 46 LYS+ QB 61 GLU- HB2 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 681, 682,
&end
#
# 46 LYS+ QB 61 GLU- HG2 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 681, 682,
&end
#
# 46 LYS+ QB 61 GLU- HG3 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 681, 682,
&end
#
# 46 LYS+ QB 61 GLU- HN 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 681, 682,
&end
#
# 46 LYS+ QD 47 TYR HN 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 687, 688,
&end
#
# 46 LYS+ QG 46 LYS+ QE 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 684, 685,
igr2= 690, 691,
&end
#
# 46 LYS+ QG 47 TYR HN 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 684, 685,
&end
#
# 47 TYR HA 47 TYR QD 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 707, 716,
&end
#
# 47 TYR HA 47 TYR QE 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 709, 714,
&end
#
# 47 TYR HA 48 THR HA 1.80 5.19
&rst
ixpk= 0, nxpk= 0, iat= 701, 722, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 47 TYR HA 48 THR HB 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 701, 724, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 47 TYR HA 48 THR HN 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat= 701, 720, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 47 TYR HA 48 THR QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 726, 727, 728,
&end
#
# 47 TYR HA 58 PHE QD 1.80 5.32
&rst
ixpk= 0, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 874, 882,
&end
#
# 47 TYR HA 59 ILE QG2 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 892, 893, 894,
&end
#
# 47 TYR HA 60 ALA HA 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 701, 907, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 47 TYR HA 60 ALA HA 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 701, 907, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 47 TYR HA 60 ALA QB 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 909, 910, 911,
&end
#
# 47 TYR HA 61 GLU HN 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 701, 915, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 47 TYR HA 61 GLU- HN 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 701, 915, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 47 TYR HA 82 LYS+ QG 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1277,1278,
&end
#
# 47 TYR HN 47 TYR QB 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 703, 704,
&end
#
# 47 TYR HN 47 TYR QD 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 707, 716,
&end
#
# 47 TYR HN 47 TYR QE 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 709, 714,
&end
#
# 47 TYR QB 48 THR HN 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 703, 704,
&end
#
# 47 TYR QB 58 PHE QD 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 703, 704,
igr2= 874, 882,
&end
#
# 47 TYR QB 58 PHE QE 1.80 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 703, 704,
igr2= 876, 880,
&end
#
# 47 TYR QB 60 ALA HA 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 907, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 703, 704,
&end
#
# 47 TYR QB 82 LYS+ HD2 1.80 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1280, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 703, 704,
&end
#
# 47 TYR QB 82 LYS+ HD3 1.80 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 703, 704,
&end
#
# 47 TYR QB 82 LYS+ HE2 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1283, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 703, 704,
&end
#
# 47 TYR QB 82 LYS+ HE3 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1284, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 703, 704,
&end
#
# 47 TYR QB 82 LYS+ QD 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 703, 704,
igr2=1280,1281,
&end
#
# 47 TYR QB 82 LYS+ QE 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 703, 704,
igr2=1283,1284,
&end
#
# 47 TYR QB 82 LYS+ QG 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 703, 704,
igr2=1277,1278,
&end
#
# 47 TYR QB 85 ALA QB 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 703, 704,
igr2=1337,1338,1339,
&end
#
# 47 TYR QD 48 THR HN 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 707, 716,
&end
#
# 47 TYR QD 58 PHE QB 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= 707, 716,
igr2= 870, 871,
&end
#
# 47 TYR QD 60 ALA HA 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 907, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 707, 716,
&end
#
# 47 TYR QD 60 ALA QB 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 707, 716,
igr2= 909, 910, 911,
&end
#
# 47 TYR QD 61 GLU- HN 1.80 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 707, 716,
&end
#
# 47 TYR QD 82 LYS+ HA 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1272, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 707, 716,
&end
#
# 47 TYR QD 82 LYS+ HE2 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1283, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 707, 716,
&end
#
# 47 TYR QD 82 LYS+ HE3 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1284, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 707, 716,
&end
#
# 47 TYR QD 82 LYS+ HG2 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 707, 716,
&end
#
# 47 TYR QD 82 LYS+ HG3 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1278, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 707, 716,
&end
#
# 47 TYR QD 82 LYS+ QB 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= 707, 716,
igr2=1274,1275,
&end
#
# 47 TYR QD 82 LYS+ QD 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 707, 716,
igr2=1280,1281,
&end
#
# 47 TYR QD 82 LYS+ QE 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 707, 716,
igr2=1283,1284,
&end
#
# 47 TYR QD 82 LYS+ QG 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 707, 716,
igr2=1277,1278,
&end
#
# 47 TYR QD 85 ALA QB 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= 707, 716,
igr2=1337,1338,1339,
&end
#
# 47 TYR QD 86 ALA HN 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1343, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 707, 716,
&end
#
# 47 TYR QD 86 ALA QB 1.80 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 707, 716,
igr2=1347,1348,1349,
&end
#
# 47 TYR QE 60 ALA HA 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 907, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 709, 714,
&end
#
# 47 TYR QE 60 ALA QB 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 709, 714,
igr2= 909, 910, 911,
&end
#
# 47 TYR QE 82 LYS+ HA 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1272, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 709, 714,
&end
#
# 47 TYR QE 82 LYS+ HB2 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 709, 714,
&end
#
# 47 TYR QE 82 LYS+ HB3 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1275, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 709, 714,
&end
#
# 47 TYR QE 82 LYS+ HE2 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1283, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 709, 714,
&end
#
# 47 TYR QE 82 LYS+ HE3 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1284, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 709, 714,
&end
#
# 47 TYR QE 82 LYS+ HG2 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 709, 714,
&end
#
# 47 TYR QE 82 LYS+ HG3 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1278, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 709, 714,
&end
#
# 47 TYR QE 82 LYS+ QB 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 709, 714,
igr2=1274,1275,
&end
#
# 47 TYR QE 82 LYS+ QD 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= 709, 714,
igr2=1280,1281,
&end
#
# 47 TYR QE 82 LYS+ 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= 709, 714,
igr2=1283,1284,
&end
#
# 47 TYR QE 82 LYS+ QG 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 709, 714,
igr2=1277,1278,
&end
#
# 47 TYR QE 85 ALA HN 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 709, 714,
&end
#
# 47 TYR QE 85 ALA QB 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 709, 714,
igr2=1337,1338,1339,
&end
#
# 47 TYR QE 86 ALA HA 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 709, 714,
&end
#
# 47 TYR QE 86 ALA HN 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1343, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 709, 714,
&end
#
# 47 TYR QE 86 ALA QB 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= 709, 714,
igr2=1347,1348,1349,
&end
#
# 48 THR HA 48 THR QG2 1.80 3.01
&rst
ixpk= 0, nxpk= 0, iat= 722, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 726, 727, 728,
&end
#
# 48 THR HA 49 GLN HN 1.80 2.91
&rst
ixpk= 0, nxpk= 0, iat= 722, 734, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 48 THR HA 49 GLN QB 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 722, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 738, 739,
&end
#
# 48 THR HA 58 PHE QD 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 722, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 874, 882,
&end
#
# 48 THR HB 49 GLN HN 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 724, 734, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 48 THR HB 58 PHE HA 1.80 5.31
&rst
ixpk= 0, nxpk= 0, iat= 724, 868, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 48 THR HB 59 ILE HB 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= 724, 890, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 48 THR HB 59 ILE HN 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 724, 886, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 48 THR HB 59 ILE QD1 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 899, 900, 901,
&end
#
# 48 THR HB 59 ILE QG1 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 896, 897,
&end
#
# 48 THR HB 59 ILE QG2 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 892, 893, 894,
&end
#
# 48 THR HN 48 THR HB 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 720, 724, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 48 THR HN 48 THR QG2 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 726, 727, 728,
&end
#
# 48 THR HN 58 PHE HA 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= 720, 868, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 48 THR HN 58 PHE QD 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 874, 882,
&end
#
# 48 THR HN 59 ILE HB 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 720, 890, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 48 THR HN 59 ILE HN 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 720, 886, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 48 THR HN 59 ILE QD1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 899, 900, 901,
&end
#
# 48 THR HN 59 ILE QG2 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 892, 893, 894,
&end
#
# 48 THR HN 60 ALA HA 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 720, 907, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 48 THR HN 60 ALA HA 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 720, 907, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 48 THR QG2 49 GLN HA 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 726, 727, 728,
&end
#
# 48 THR QG2 49 GLN HN 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1= 726, 727, 728,
&end
#
# 48 THR QG2 49 GLN QB 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 726, 727, 728,
igr2= 738, 739,
&end
#
# 48 THR QG2 50 VAL HA 1.80 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 726, 727, 728,
&end
#
# 48 THR QG2 50 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= 726, 727, 728,
igr2= 757, 758, 759,
&end
#
# 48 THR QG2 50 VAL QG2 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 726, 727, 728,
igr2= 761, 762, 763,
&end
#
# 48 THR QG2 59 ILE HB 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 890, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 726, 727, 728,
&end
#
# 49 GLN HA 49 GLN HG2 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 736, 741, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 49 GLN HA 49 GLN HG3 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 736, 742, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 49 GLN HA 49 GLN QG 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 741, 742,
&end
#
# 49 GLN HA 50 VAL HN 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= 736, 751, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 49 GLN HA 56 ARG+ HD2 1.80 5.32
&rst
ixpk= 0, nxpk= 0, iat= 736, 841, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 49 GLN HA 56 ARG+ HD3 1.80 5.32
&rst
ixpk= 0, nxpk= 0, iat= 736, 842, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 49 GLN HA 56 ARG+ QD 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 841, 842,
&end
#
# 49 GLN HA 58 PHE HA 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 736, 868, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 49 GLN HA 58 PHE HA 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 736, 868, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 49 GLN HA 58 PHE QD 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 874, 882,
&end
#
# 49 GLN HA 59 ILE HN 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 736, 886, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 GLN HA 59 ILE HN 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= 736, 886, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 49 GLN HE21 53 ASP- HA 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 746, 790, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 49 GLN HE22 53 ASP- HA 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 747, 790, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 49 GLN HG2 50 VAL HN 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 741, 751, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 49 GLN HG3 50 VAL HN 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 742, 751, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 49 GLN HN 49 GLN HG2 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 734, 741, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 49 GLN HN 49 GLN HG3 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 734, 742, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 49 GLN HN 49 GLN QB 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 738, 739,
&end
#
# 49 GLN HN 49 GLN QG 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 741, 742,
&end
#
# 49 GLN HN 50 VAL HN 4.50 100.0
&rst
ixpk= 0, nxpk= 0, iat= 734, 751, r1= 4.00, r2= 4.50, r3=100.00, r4=100.50, &end
#
# 49 GLN QB 50 VAL HN 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 738, 739,
&end
#
# 49 GLN QB 50 VAL QG2 1.80 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1= 738, 739,
igr2= 761, 762, 763,
&end
#
# 49 GLN QB 56 ARG+ HD2 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 738, 739,
&end
#
# 49 GLN QB 56 ARG+ HD3 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 738, 739,
&end
#
# 49 GLN QB 56 ARG+ QD 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 738, 739,
igr2= 841, 842,
&end
#
# 49 GLN QB 58 PHE HA 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 738, 739,
&end
#
# 49 GLN QB 58 PHE 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= 738, 739,
igr2= 874, 882,
&end
#
# 49 GLN QB 58 PHE QE 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 738, 739,
igr2= 876, 880,
&end
#
# 49 GLN QE2 53 ASP- HA 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 790, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 746, 747,
&end
#
# 49 GLN QE2 56 ARG+ QB 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= 746, 747,
igr2= 835, 836,
&end
#
# 49 GLN QE2 56 ARG+ QD 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 746, 747,
igr2= 841, 842,
&end
#
# 49 GLN QE2 56 ARG+ QG 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= 746, 747,
igr2= 838, 839,
&end
#
# 49 GLN QG 49 GLN QE2 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 741, 742,
igr2= 746, 747,
&end
#
# 49 GLN QG 56 ARG+ QD 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 741, 742,
igr2= 841, 842,
&end
#
# 50 VAL HA 50 VAL QG1 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 757, 758, 759,
&end
#
# 50 VAL HA 50 VAL QG2 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 761, 762, 763,
&end
#
# 50 VAL HA 51 GLY HN 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= 753, 767, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 50 VAL HA 51 GLY QA 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 769, 770,
&end
#
# 50 VAL HB 51 GLY HN 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 755, 767, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 50 VAL HB 51 GLY QA 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 755, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 769, 770,
&end
#
# 50 VAL HB 57 SER HN 1.80 5.25
&rst
ixpk= 0, nxpk= 0, iat= 755, 855, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 50 VAL HB 59 ILE QG1 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 755, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 896, 897,
&end
#
# 50 VAL HN 50 VAL HB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 751, 755, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 50 VAL HN 50 VAL QG1 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 757, 758, 759,
&end
#
# 50 VAL HN 50 VAL QG2 1.80 3.05
&rst
ixpk= 0, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 761, 762, 763,
&end
#
# 50 VAL HN 51 GLY HN 4.00 100.0
&rst
ixpk= 0, nxpk= 0, iat= 751, 767, r1= 3.50, r2= 4.00, r3=100.00, r4=100.50, &end
#
# 50 VAL HN 56 ARG+ QD 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2= 841, 842,
&end
#
# 50 VAL HN 57 SER HN 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 751, 855, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 50 VAL HN 57 SER QB 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 859, 860,
&end
#
# 50 VAL HN 58 PHE HA 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 751, 868, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 VAL HN 58 PHE HA 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 751, 868, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 50 VAL HN 59 ILE HN 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= 751, 886, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 50 VAL QG1 51 GLY HN 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 757, 758, 759,
&end
#
# 50 VAL QG1 57 SER HN 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 757, 758, 759,
&end
#
# 50 VAL QG1 58 PHE HA 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 757, 758, 759,
&end
#
# 50 VAL QG1 59 ILE HN 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 757, 758, 759,
&end
#
# 50 VAL QG2 51 GLY HN 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 761, 762, 763,
&end
#
# 50 VAL QG2 51 GLY QA 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 761, 762, 763,
igr2= 769, 770,
&end
#
# 50 VAL QG2 56 ARG+ QB 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 761, 762, 763,
igr2= 835, 836,
&end
#
# 50 VAL QG2 57 SER HA 1.80 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 761, 762, 763,
&end
#
# 50 VAL QG2 57 SER HN 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 761, 762, 763,
&end
#
# 50 VAL QG2 57 SER QB 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= 761, 762, 763,
igr2= 859, 860,
&end
#
# 50 VAL QG2 58 PHE HA 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 761, 762, 763,
&end
#
# 50 VAL QG2 59 ILE HB 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 890, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 761, 762, 763,
&end
#
# 50 VAL QG2 59 ILE HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 761, 762, 763,
&end
#
# 50 VAL QG2 59 ILE QG1 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 761, 762, 763,
igr2= 896, 897,
&end
#
# 51 GLY HA2 52 PRO HD3 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 769, 776, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 51 GLY HA3 52 PRO HD3 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 770, 776, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 51 GLY HN 52 PRO HD2 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= 767, 775, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 51 GLY HN 52 PRO HD3 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 767, 776, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 51 GLY QA 52 PRO QG 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 769, 770,
igr2= 778, 779,
&end
#
# 52 PRO HA 53 ASP- HN 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat= 784, 788, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 52 PRO HA 53 ASP- QB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 792, 793,
&end
#
# 52 PRO HB2 53 ASP- HN 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 781, 788, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 52 PRO HB2 54 HIS HE1 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 781, 809, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 52 PRO HB3 53 ASP- HN 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 782, 788, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 52 PRO HB3 54 HIS HE1 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 782, 809, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 52 PRO HD2 55 ASN HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 775, 817, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 52 PRO HD2 55 ASN QB 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 775, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 821, 822,
&end
#
# 52 PRO HD3 55 ASN HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 776, 817, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 PRO HD3 55 ASN QB 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 821, 822,
&end
#
# 52 PRO HG2 53 ASP- HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 778, 788, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 PRO HG2 54 HIS HE1 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 778, 809, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 52 PRO HG2 55 ASN HN 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 778, 817, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 PRO HG2 55 ASN QB 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 821, 822,
&end
#
# 52 PRO HG3 53 ASP- HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 779, 788, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 PRO HG3 54 HIS HE1 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 779, 809, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 52 PRO HG3 55 ASN HN 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 779, 817, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 PRO HG3 55 ASN QB 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 821, 822,
&end
#
# 52 PRO QB 54 HIS HE1 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 781, 782,
&end
#
# 52 PRO QB 55 ASN HN 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 781, 782,
&end
#
# 52 PRO QG 53 ASP- HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 788, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 778, 779,
&end
#
# 52 PRO QG 54 HIS HD2 1.80 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 778, 779,
&end
#
# 52 PRO QG 54 HIS HE1 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 778, 779,
&end
#
# 52 PRO QG 55 ASN HN 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 778, 779,
&end
#
# 52 PRO QG 55 ASN QB 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 778, 779,
igr2= 821, 822,
&end
#
# 53 ASP- HA 55 ASN HN 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 790, 817, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 53 ASP- HA 56 ARG+ QB 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 790, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 835, 836,
&end
#
# 53 ASP- HA 56 ARG+ QD 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 790, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 841, 842,
&end
#
# 53 ASP- HA 56 ARG+ QG 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 790, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 838, 839,
&end
#
# 53 ASP- HN 53 ASP- QB 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat= 788, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2= 792, 793,
&end
#
# 53 ASP- HN 55 ASN HN 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 788, 817, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 53 ASP- QB 54 HIS HA 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 802, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 792, 793,
&end
#
# 53 ASP- QB 55 ASN HN 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 792, 793,
&end
#
# 53 ASP- QB 56 ARG+ QB 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= 792, 793,
igr2= 835, 836,
&end
#
# 53 ASP- QB 56 ARG+ QG 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= 792, 793,
igr2= 838, 839,
&end
#
# 54 HIS HA 54 HIS HD2 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat= 802, 813, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 54 HIS HB2 55 ASN HN 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat= 804, 817, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 54 HIS HB3 55 ASN HN 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat= 805, 817, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 54 HIS HD2 55 ASN QB 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 813, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 821, 822,
&end
#
# 54 HIS HE1 55 ASN QB 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 821, 822,
&end
#
# 54 HIS QB 55 ASN HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 804, 805,
&end
#
# 55 ASN HA 56 ARG+ HN 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 819, 831, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 55 ASN HN 55 ASN QB 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 817, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 821, 822,
&end
#
# 55 ASN HN 56 ARG+ HN 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 817, 831, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 55 ASN HN 56 ARG+ QB 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 817, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 835, 836,
&end
#
# 55 ASN HN 56 ARG+ QG 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= 817, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 838, 839,
&end
#
# 55 ASN QB 56 ARG+ HN 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 821, 822,
&end
#
# 56 ARG+ HA 56 ARG+ QD 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 833, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 841, 842,
&end
#
# 56 ARG+ HD2 57 SER HN 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 841, 855, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 56 ARG+ HD3 57 SER HN 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 842, 855, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 56 ARG+ HN 56 ARG+ HD2 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= 831, 841, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 56 ARG+ HN 56 ARG+ HD3 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= 831, 842, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 56 ARG+ HN 56 ARG+ QB 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 835, 836,
&end
#
# 56 ARG+ HN 56 ARG+ QD 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 841, 842,
&end
#
# 56 ARG+ HN 56 ARG+ QG 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 838, 839,
&end
#
# 56 ARG+ QB 56 ARG+ HD2 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 835, 836,
&end
#
# 56 ARG+ QB 56 ARG+ HD3 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 835, 836,
&end
#
# 56 ARG+ QB 57 SER HA 1.80 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 835, 836,
&end
#
# 56 ARG+ QB 57 SER HN 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 835, 836,
&end
#
# 56 ARG+ QD 57 SER HN 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 841, 842,
&end
#
# 56 ARG+ QD 58 PHE HZ 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 841, 842,
&end
#
# 56 ARG+ QD 58 PHE QE 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 841, 842,
igr2= 876, 880,
&end
#
# 56 ARG+ QG 57 SER HN 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 838, 839,
&end
#
# 56 ARG+ QG 58 PHE QD 1.80 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 838, 839,
igr2= 874, 882,
&end
#
# 57 SER HA 80 SER HA 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 857,1247, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 57 SER HB2 58 PHE HN 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 859, 866, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 57 SER HB3 58 PHE HN 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 860, 866, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 57 SER HN 58 PHE HN 4.00 100.0
&rst
ixpk= 0, nxpk= 0, iat= 855, 866, r1= 3.50, r2= 4.00, r3=100.00, r4=100.50, &end
#
# 57 SER QB 58 PHE HN 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 859, 860,
&end
#
# 58 PHE HA 58 PHE QD 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 874, 882,
&end
#
# 58 PHE HA 59 ILE HB 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= 868, 890, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 58 PHE HA 59 ILE HN 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= 868, 886, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 58 PHE HA 59 ILE QG1 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 896, 897,
&end
#
# 58 PHE HB2 59 ILE HN 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 870, 886, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 58 PHE HB2 82 LYS+ HA 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 870,1272, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 58 PHE HB2 85 ALA QB 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1337,1338,1339,
&end
#
# 58 PHE HB3 59 ILE HN 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 871, 886, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 58 PHE HB3 82 LYS+ HA 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 871,1272, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 58 PHE HB3 85 ALA QB 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 871, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1337,1338,1339,
&end
#
# 58 PHE HN 59 ILE HN 1.80 5.40
&rst
ixpk= 0, nxpk= 0, iat= 866, 886, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 58 PHE HN 59 ILE HN 4.00 100.0
&rst
ixpk= 0, nxpk= 0, iat= 866, 886, r1= 3.50, r2= 4.00, r3=100.00, r4=100.50, &end
#
# 58 PHE HN 59 ILE QG1 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 896, 897,
&end
#
# 58 PHE HN 79 GLY HN 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= 866,1238, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 58 PHE HN 80 SER HA 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= 866,1247, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 58 PHE HN 85 ALA QB 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1337,1338,1339,
&end
#
# 58 PHE QB 59 ILE HN 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 870, 871,
&end
#
# 58 PHE QB 82 LYS+ QG 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 870, 871,
igr2=1277,1278,
&end
#
# 58 PHE QB 85 ALA QB 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 870, 871,
igr2=1337,1338,1339,
&end
#
# 58 PHE QD 59 ILE HN 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 874, 882,
&end
#
# 58 PHE QD 81 ASN HA 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1258, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 874, 882,
&end
#
# 58 PHE QD 82 LYS+ HA 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1272, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 874, 882,
&end
#
# 58 PHE QD 82 LYS+ HG2 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 874, 882,
&end
#
# 58 PHE QD 82 LYS+ HG3 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1278, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 874, 882,
&end
#
# 58 PHE QD 82 LYS+ HN 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 874, 882,
&end
#
# 58 PHE QD 82 LYS+ QG 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 874, 882,
igr2=1277,1278,
&end
#
# 58 PHE QD 85 ALA 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= 874, 882,
igr2=1337,1338,1339,
&end
#
# 58 PHE QE 82 LYS+ HE2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1283, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 876, 880,
&end
#
# 58 PHE QE 82 LYS+ HE3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1284, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 876, 880,
&end
#
# 58 PHE QE 82 LYS+ HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 876, 880,
&end
#
# 58 PHE QE 82 LYS+ QG 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 876, 880,
igr2=1277,1278,
&end
#
# 59 ILE HA 60 ALA HN 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= 888, 905, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 59 ILE HB 59 ILE QD1 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 890, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 899, 900, 901,
&end
#
# 59 ILE HB 60 ALA HN 1.80 5.28
&rst
ixpk= 0, nxpk= 0, iat= 890, 905, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 59 ILE HN 59 ILE HB 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 886, 890, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 59 ILE HN 59 ILE QD1 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 899, 900, 901,
&end
#
# 59 ILE HN 59 ILE QG1 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 896, 897,
&end
#
# 59 ILE QD1 78 HIS HA 1.80 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 899, 900, 901,
&end
#
# 59 ILE QD1 78 HIS HD2 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1,1234, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 899, 900, 901,
&end
#
# 59 ILE QD1 78 HIS QB 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= 899, 900, 901,
igr2=1225,1226,
&end
#
# 59 ILE QG1 78 HIS HA 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 896, 897,
&end
#
# 59 ILE QG1 78 HIS HD2 1.80 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1234, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 896, 897,
&end
#
# 59 ILE QG1 78 HIS QB 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= 896, 897,
igr2=1225,1226,
&end
#
# 59 ILE QG2 60 ALA HA 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 907, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 892, 893, 894,
&end
#
# 59 ILE QG2 60 ALA HN 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 892, 893, 894,
&end
#
# 59 ILE QG2 60 ALA QB 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 892, 893, 894,
igr2= 909, 910, 911,
&end
#
# 59 ILE QG2 61 GLU- HA 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 892, 893, 894,
&end
#
# 59 ILE QG2 61 GLU- HB2 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 892, 893, 894,
&end
#
# 59 ILE QG2 61 GLU- HB3 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 892, 893, 894,
&end
#
# 59 ILE QG2 61 GLU- HG2 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 892, 893, 894,
&end
#
# 59 ILE QG2 76 ARG+ HA 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1184, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 892, 893, 894,
&end
#
# 59 ILE QG2 76 ARG+ HD2 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1192, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 892, 893, 894,
&end
#
# 59 ILE QG2 76 ARG+ HD3 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1193, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 892, 893, 894,
&end
#
# 59 ILE QG2 76 ARG+ HG2 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 892, 893, 894,
&end
#
# 59 ILE QG2 76 ARG+ HG3 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1190, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 892, 893, 894,
&end
#
# 59 ILE QG2 76 ARG+ QB 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 892, 893, 894,
igr2=1186,1187,
&end
#
# 59 ILE QG2 76 ARG+ QD 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= 892, 893, 894,
igr2=1192,1193,
&end
#
# 59 ILE QG2 76 ARG+ QG 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 892, 893, 894,
igr2=1189,1190,
&end
#
# 59 ILE QG2 77 GLU- HA 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 892, 893, 894,
&end
#
# 59 ILE QG2 77 GLU- HN 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 892, 893, 894,
&end
#
# 59 ILE QG2 78 HIS HA 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 892, 893, 894,
&end
#
# 59 ILE QG2 78 HIS HD2 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1234, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 892, 893, 894,
&end
#
# 59 ILE QG2 78 HIS QB 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= 892, 893, 894,
igr2=1225,1226,
&end
#
# 59 ILE QG2 85 ALA QB 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 892, 893, 894,
igr2=1337,1338,1339,
&end
#
# 60 ALA HA 61 GLU- HA 1.80 5.26
&rst
ixpk= 0, nxpk= 0, iat= 907, 917, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 60 ALA HA 61 GLU- HB3 1.80 5.14
&rst
ixpk= 0, nxpk= 0, iat= 907, 920, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 60 ALA HA 61 GLU- HG2 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat= 907, 922, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 60 ALA HA 61 GLU- HN 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat= 907, 915, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 60 ALA HA 85 ALA QB 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1337,1338,1339,
&end
#
# 60 ALA HN 60 ALA HA 2.80 100.0
&rst
ixpk= 0, nxpk= 0, iat= 905, 907, r1= 2.30, r2= 2.80, r3=100.00, r4=100.50, &end
#
# 60 ALA HN 60 ALA QB 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 909, 910, 911,
&end
#
# 60 ALA HN 61 GLU- HN 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 905, 915, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 60 ALA HN 77 GLU- HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 905,1208, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 ALA HN 77 GLU- HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 905,1206, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 60 ALA HN 78 HIS HA 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 905,1223, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 60 ALA HN 85 ALA QB 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1337,1338,1339,
&end
#
# 60 ALA QB 61 GLU- HA 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 909, 910, 911,
&end
#
# 60 ALA QB 61 GLU- HN 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 909, 910, 911,
&end
#
# 60 ALA QB 77 GLU- HN 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 909, 910, 911,
&end
#
# 60 ALA QB 78 HIS HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 909, 910, 911,
&end
#
# 60 ALA QB 85 ALA HA 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1335, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 909, 910, 911,
&end
#
# 60 ALA QB 85 ALA HN 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 909, 910, 911,
&end
#
# 60 ALA QB 85 ALA QB 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= 909, 910, 911,
igr2=1337,1338,1339,
&end
#
# 60 ALA QB 86 ALA HA 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1= 909, 910, 911,
&end
#
# 60 ALA QB 86 ALA HN 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1343, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 909, 910, 911,
&end
#
# 60 ALA QB 86 ALA QB 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 909, 910, 911,
igr2=1347,1348,1349,
&end
#
# 60 ALA QB 89 CYS HB2 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 909, 910, 911,
&end
#
# 60 ALA QB 89 CYS HB3 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 909, 910, 911,
&end
#
# 60 ALA QB 89 CYS HN 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1381, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 909, 910, 911,
&end
#
# 61 GLU- HA 62 MET HA 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= 917, 932, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 61 GLU- HA 62 MET HN 1.80 2.93
&rst
ixpk= 0, nxpk= 0, iat= 917, 930, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 61 GLU- HA 75 ALA QB 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1176,1177,1178,
&end
#
# 61 GLU- HA 76 ARG+ HA 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= 917,1184, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 61 GLU- HA 76 ARG+ QB 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1186,1187,
&end
#
# 61 GLU- HA 77 GLU- HN 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 917,1206, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 61 GLU- HB2 62 MET HN 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 919, 930, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 61 GLU- HB2 74 PHE HZ 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 919,1164, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 GLU- HB2 74 PHE QD 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1160,1168,
&end
#
# 61 GLU- HB2 76 ARG+ HA 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 919,1184, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 61 GLU- HB2 76 ARG+ QB 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2=1186,1187,
&end
#
# 61 GLU- HB3 74 PHE QE 1.80 5.36
&rst
ixpk= 0, nxpk= 0, iat= 920, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1162,1166,
&end
#
# 61 GLU- HB3 76 ARG+ HA 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 920,1184, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 61 GLU- HB3 76 ARG+ QG 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 920, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1189,1190,
&end
#
# 61 GLU- HG2 62 MET HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 922, 932, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 GLU- HG2 62 MET HN 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 922, 930, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 61 GLU- HG2 76 ARG+ HA 1.80 5.14
&rst
ixpk= 0, nxpk= 0, iat= 922,1184, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 61 GLU- HG2 76 ARG+ QB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1186,1187,
&end
#
# 61 GLU- HG2 76 ARG+ QG 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1189,1190,
&end
#
# 61 GLU- HG3 62 MET HA 1.80 5.20
&rst
ixpk= 0, nxpk= 0, iat= 923, 932, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 61 GLU- HG3 62 MET HN 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 923, 930, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 61 GLU- HG3 76 ARG+ HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 923,1184, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 GLU- HG3 76 ARG+ QB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1186,1187,
&end
#
# 61 GLU- HG3 76 ARG+ QG 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1189,1190,
&end
#
# 61 GLU- HN 61 GLU- HG2 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 915, 922, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 61 GLU- HN 61 GLU- HG3 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 915, 923, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 61 GLU- HN 62 MET HN 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 915, 930, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 62 MET HA 62 MET HG2 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 932, 937, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 62 MET HA 62 MET HG3 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= 932, 938, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 62 MET HA 63 THR HN 1.80 3.03
&rst
ixpk= 0, nxpk= 0, iat= 932, 947, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 62 MET HB2 62 MET QE 1.80 2.94
&rst
ixpk= 0, nxpk= 0, iat= 934, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 941, 942, 943,
&end
#
# 62 MET HB2 63 THR HN 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 934, 947, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 62 MET HB2 93 LEU QD2 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 934, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1445,1446,1447,
&end
#
# 62 MET HB3 62 MET QE 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 941, 942, 943,
&end
#
# 62 MET HB3 63 THR HN 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 935, 947, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 62 MET HB3 93 LEU QD2 1.80 2.97
&rst
ixpk= 0, nxpk= 0, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2=1445,1446,1447,
&end
#
# 62 MET HG2 62 MET QE 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 941, 942, 943,
&end
#
# 62 MET HG2 63 THR HA 1.80 5.26
&rst
ixpk= 0, nxpk= 0, iat= 937, 949, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 62 MET HG2 63 THR HN 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= 937, 947, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 62 MET HG2 64 ILE HG12 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 937, 971, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 62 MET HG2 64 ILE HG13 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 937, 972, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 MET HG2 64 ILE QG2 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 967, 968, 969,
&end
#
# 62 MET HG2 93 LEU HB3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 937,1437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 MET HG2 93 LEU QD2 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1445,1446,1447,
&end
#
# 62 MET HG3 62 MET QE 1.80 2.99
&rst
ixpk= 0, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 941, 942, 943,
&end
#
# 62 MET HG3 63 THR HN 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 938, 947, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 62 MET HG3 64 ILE QG2 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 967, 968, 969,
&end
#
# 62 MET HG3 93 LEU QD2 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1445,1446,1447,
&end
#
# 62 MET HN 62 MET HB2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 930, 934, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 62 MET HN 62 MET HB3 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 930, 935, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 62 MET HN 74 PHE QD 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1160,1168,
&end
#
# 62 MET HN 75 ALA HN 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 930,1172, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 62 MET HN 76 ARG+ HA 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 930,1184, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 62 MET HN 93 LEU QD2 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1445,1446,1447,
&end
#
# 62 MET QE 63 THR HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 941, 942, 943,
&end
#
# 63 THR HA 63 THR QG2 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat= 949, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 953, 954, 955,
&end
#
# 63 THR HA 64 ILE HG12 1.80 5.14
&rst
ixpk= 0, nxpk= 0, iat= 949, 971, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 63 THR HA 64 ILE HG13 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= 949, 972, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 63 THR HA 64 ILE HN 1.80 3.07
&rst
ixpk= 0, nxpk= 0, iat= 949, 961, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 63 THR HA 64 ILE QD1 1.80 5.31
&rst
ixpk= 0, nxpk= 0, iat= 949, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 974, 975, 976,
&end
#
# 63 THR HA 64 ILE QG2 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 949, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 967, 968, 969,
&end
#
# 63 THR HA 73 ILE HN 1.80 5.17
&rst
ixpk= 0, nxpk= 0, iat= 949,1133, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 63 THR HA 74 PHE HA 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= 949,1154, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 63 THR HA 74 PHE HB2 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 949,1156, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 63 THR HA 74 PHE HB3 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= 949,1157, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 63 THR HA 74 PHE HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 949,1152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 THR HA 74 PHE QD 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 949, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1160,1168,
&end
#
# 63 THR HA 75 ALA HN 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 949,1172, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 63 THR HA 93 LEU QD1 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 949, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1441,1442,1443,
&end
#
# 63 THR HB 64 ILE HN 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 951, 961, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 63 THR HB 72 ARG+ QD 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= 951, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1119,1120,
&end
#
# 63 THR HB 74 PHE HA 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 951,1154, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 63 THR HB 74 PHE HB2 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 951,1156, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 63 THR HB 74 PHE HB3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 951,1157, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 THR HB 74 PHE QD 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 951, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1160,1168,
&end
#
# 63 THR HN 63 THR HB 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 947, 951, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 63 THR HN 63 THR QG2 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 953, 954, 955,
&end
#
# 63 THR QG2 63 THR HG1 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 953, 954, 955,
&end
#
# 63 THR QG2 64 ILE HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 953, 954, 955,
&end
#
# 63 THR QG2 72 ARG+ HA 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1111, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 953, 954, 955,
&end
#
# 63 THR QG2 72 ARG+ HG2 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 953, 954, 955,
&end
#
# 63 THR QG2 72 ARG+ HG3 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1117, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 953, 954, 955,
&end
#
# 63 THR QG2 72 ARG+ QD 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 953, 954, 955,
igr2=1119,1120,
&end
#
# 63 THR QG2 73 ILE HN 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 953, 954, 955,
&end
#
# 63 THR QG2 74 PHE HA 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 953, 954, 955,
&end
#
# 63 THR QG2 74 PHE HB2 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1156, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 953, 954, 955,
&end
#
# 63 THR QG2 74 PHE HB3 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 953, 954, 955,
&end
#
# 63 THR QG2 74 PHE HN 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1152, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 953, 954, 955,
&end
#
# 63 THR QG2 74 PHE QD 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 953, 954, 955,
igr2=1160,1168,
&end
#
# 63 THR QG2 74 PHE QE 1.80 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 953, 954, 955,
igr2=1162,1166,
&end
#
# 64 ILE HA 64 ILE HG12 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 963, 971, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 64 ILE HA 64 ILE HG13 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 963, 972, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 64 ILE HA 64 ILE QG2 1.80 3.05
&rst
ixpk= 0, nxpk= 0, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 967, 968, 969,
&end
#
# 64 ILE HA 65 TYR HN 1.80 2.92
&rst
ixpk= 0, nxpk= 0, iat= 963, 980, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 64 ILE HB 64 ILE QD1 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 974, 975, 976,
&end
#
# 64 ILE HB 65 TYR HN 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 965, 980, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 64 ILE HB 66 ILE QD1 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1014,1015,1016,
&end
#
# 64 ILE HB 73 ILE HG13 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 965,1144, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 64 ILE HB 73 ILE QD1 1.80 5.41
&rst
ixpk= 0, nxpk= 0, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=1146,1147,1148,
&end
#
# 64 ILE HG12 66 ILE QD1 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 971, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1014,1015,1016,
&end
#
# 64 ILE HG12 73 ILE HN 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 971,1133, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 64 ILE HG12 93 LEU QD1 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 971, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1441,1442,1443,
&end
#
# 64 ILE HG13 65 TYR HN 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= 972, 980, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 64 ILE HG13 93 LEU QD1 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1441,1442,1443,
&end
#
# 64 ILE HG13 97 LEU QD1 1.80 5.20
&rst
ixpk= 0, nxpk= 0, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=1517,1518,1519,
&end
#
# 64 ILE HN 64 ILE HG12 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 961, 971, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 64 ILE HN 64 ILE HG13 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 961, 972, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 64 ILE HN 64 ILE QD1 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 961, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 974, 975, 976,
&end
#
# 64 ILE HN 64 ILE QG2 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 961, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 967, 968, 969,
&end
#
# 64 ILE HN 73 ILE HG13 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 961,1144, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 64 ILE HN 73 ILE HN 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 961,1133, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 64 ILE HN 73 ILE QD1 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 961, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1146,1147,1148,
&end
#
# 64 ILE HN 74 PHE HA 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 961,1154, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 64 ILE HN 93 LEU QD1 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 961, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1441,1442,1443,
&end
#
# 64 ILE QD1 73 ILE HN 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 974, 975, 976,
&end
#
# 64 ILE QD1 93 LEU HG 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1439, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 974, 975, 976,
&end
#
# 64 ILE QD1 93 LEU QD1 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 974, 975, 976,
igr2=1441,1442,1443,
&end
#
# 64 ILE QD1 97 LEU QD1 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 974, 975, 976,
igr2=1517,1518,1519,
&end
#
# 64 ILE QG2 64 ILE HG12 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 967, 968, 969,
&end
#
# 64 ILE QG2 65 TYR HN 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 967, 968, 969,
&end
#
# 65 TYR HA 65 TYR QD 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 988, 997,
&end
#
# 65 TYR HA 65 TYR QE 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 990, 995,
&end
#
# 65 TYR HA 66 ILE HB 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 982,1005, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 65 TYR HA 66 ILE HN 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat= 982,1001, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 65 TYR HA 66 ILE QD1 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1014,1015,1016,
&end
#
# 65 TYR HA 66 ILE QG1 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1011,1012,
&end
#
# 65 TYR HA 72 ARG+ HA 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 982,1111, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 65 TYR HA 72 ARG+ HB2 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= 982,1113, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 65 TYR HA 72 ARG+ HB3 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= 982,1114, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 65 TYR HA 72 ARG+ HG2 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 982,1116, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 65 TYR HA 72 ARG+ HG3 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= 982,1117, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 65 TYR HA 72 ARG+ QB 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=1113,1114,
&end
#
# 65 TYR HA 73 ILE HN 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 982,1133, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 65 TYR HB2 66 ILE HN 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 984,1001, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 65 TYR HB2 72 ARG+ HA 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= 984,1111, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 65 TYR HB2 72 ARG+ HG2 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 984,1116, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 65 TYR HB2 72 ARG+ HG3 1.80 5.42
&rst
ixpk= 0, nxpk= 0, iat= 984,1117, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 65 TYR HB2 72 ARG+ QB 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1113,1114,
&end
#
# 65 TYR HB3 66 ILE HN 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 985,1001, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 65 TYR HN 65 TYR HB2 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 980, 984, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 65 TYR HN 65 TYR HB3 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= 980, 985, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 65 TYR HN 65 TYR QD 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 988, 997,
&end
#
# 65 TYR HN 66 ILE HN 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 980,1001, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 65 TYR HN 66 ILE QD1 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=1014,1015,1016,
&end
#
# 65 TYR HN 66 ILE QG1 1.80 5.38
&rst
ixpk= 0, nxpk= 0, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1011,1012,
&end
#
# 65 TYR QD 66 ILE HN 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 988, 997,
&end
#
# 65 TYR QD 66 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= 988, 997,
igr2=1014,1015,1016,
&end
#
# 65 TYR QD 67 LYS+ HA 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 988, 997,
&end
#
# 65 TYR QD 67 LYS+ HB2 1.80 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 988, 997,
&end
#
# 65 TYR QD 67 LYS+ HB3 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 988, 997,
&end
#
# 65 TYR QD 67 LYS+ HG2 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 988, 997,
&end
#
# 65 TYR QD 67 LYS+ HN 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 988, 997,
&end
#
# 65 TYR QD 67 LYS+ QD 1.80 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 988, 997,
igr2=1030,1031,
&end
#
# 65 TYR QD 72 ARG+ HA 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1111, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 988, 997,
&end
#
# 65 TYR QD 72 ARG+ HG2 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 988, 997,
&end
#
# 65 TYR QD 72 ARG+ HG3 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1117, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 988, 997,
&end
#
# 65 TYR QD 72 ARG+ HN 1.80 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 988, 997,
&end
#
# 65 TYR QD 72 ARG+ QB 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 988, 997,
igr2=1113,1114,
&end
#
# 65 TYR QD 72 ARG+ QD 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 988, 997,
igr2=1119,1120,
&end
#
# 65 TYR QE 66 ILE HA 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1003, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 990, 995,
&end
#
# 65 TYR QE 66 ILE HN 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 990, 995,
&end
#
# 65 TYR QE 67 LYS+ HA 1.80 3.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr1= 990, 995,
&end
#
# 65 TYR QE 67 LYS+ HB2 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 990, 995,
&end
#
# 65 TYR QE 67 LYS+ HB3 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 990, 995,
&end
#
# 65 TYR QE 67 LYS+ HG2 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 990, 995,
&end
#
# 65 TYR QE 67 LYS+ HG3 1.80 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1028, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 990, 995,
&end
#
# 65 TYR QE 67 LYS+ HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 990, 995,
&end
#
# 65 TYR QE 67 LYS+ QD 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 990, 995,
igr2=1030,1031,
&end
#
# 65 TYR QE 70 GLY HA2 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 990, 995,
&end
#
# 65 TYR QE 70 GLY HN 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 990, 995,
&end
#
# 65 TYR QE 72 ARG+ HG3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1117, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 990, 995,
&end
#
# 65 TYR QE 72 ARG+ HN 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 990, 995,
&end
#
# 65 TYR QE 72 ARG+ QD 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 990, 995,
igr2=1119,1120,
&end
#
# 66 ILE HA 66 ILE QD1 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1014,1015,1016,
&end
#
# 66 ILE HA 66 ILE QG1 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1011,1012,
&end
#
# 66 ILE HA 66 ILE QG2 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2=1007,1008,1009,
&end
#
# 66 ILE HA 67 LYS+ HA 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat=1003,1022, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 66 ILE HA 67 LYS+ HB3 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat=1003,1025, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 66 ILE HA 67 LYS+ HG2 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat=1003,1027, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 66 ILE HA 67 LYS+ HG3 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat=1003,1028, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 66 ILE HA 67 LYS+ HN 1.80 2.94
&rst
ixpk= 0, nxpk= 0, iat=1003,1020, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 66 ILE HA 68 GLN HN 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat=1003,1042, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 66 ILE HA 97 LEU QD2 1.80 5.40
&rst
ixpk= 0, nxpk= 0, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=1521,1522,1523,
&end
#
# 66 ILE HB 66 ILE QD1 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1005, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1014,1015,1016,
&end
#
# 66 ILE HB 69 LEU HB2 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat=1005,1063, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 66 ILE HB 69 LEU HB3 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat=1005,1064, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 66 ILE HB 69 LEU HG 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat=1005,1066, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 66 ILE HB 69 LEU HN 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat=1005,1059, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 66 ILE HB 69 LEU QD1 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat=1005, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1068,1069,1070,
&end
#
# 66 ILE HB 70 GLY HN 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat=1005,1078, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 66 ILE HB 71 ARG+ HG2 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat=1005,1092, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 66 ILE HB 71 ARG+ HN 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat=1005,1085, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 66 ILE HN 66 ILE HB 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat=1001,1005, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 66 ILE HN 66 ILE QD1 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1014,1015,1016,
&end
#
# 66 ILE HN 66 ILE QG1 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1011,1012,
&end
#
# 66 ILE HN 66 ILE QG2 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1007,1008,1009,
&end
#
# 66 ILE HN 67 LYS+ HA 1.80 5.17
&rst
ixpk= 0, nxpk= 0, iat=1001,1022, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 66 ILE HN 67 LYS+ HN 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat=1001,1020, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 66 ILE HN 71 ARG+ HN 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1001,1085, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 66 ILE HN 72 ARG+ HA 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat=1001,1111, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 66 ILE HN 72 ARG+ HG2 1.80 5.31
&rst
ixpk= 0, nxpk= 0, iat=1001,1116, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 66 ILE HN 72 ARG+ QB 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1113,1114,
&end
#
# 66 ILE HN 73 ILE HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat=1001,1133, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 66 ILE HN 73 ILE QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1139,1140,1141,
&end
#
# 66 ILE QD1 67 LYS+ HN 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1014,1015,1016,
&end
#
# 66 ILE QD1 73 ILE HN 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1014,1015,1016,
&end
#
# 66 ILE QD1 97 LEU QD1 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=1014,1015,1016,
igr2=1517,1518,1519,
&end
#
# 66 ILE QD1 97 LEU QD2 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=1014,1015,1016,
igr2=1521,1522,1523,
&end
#
# 66 ILE QG1 67 LYS+ HN 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1011,1012,
&end
#
# 66 ILE QG1 73 ILE HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1011,1012,
&end
#
# 66 ILE QG1 97 LEU QD1 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1=1011,1012,
igr2=1517,1518,1519,
&end
#
# 66 ILE QG1 97 LEU QD2 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1011,1012,
igr2=1521,1522,1523,
&end
#
# 66 ILE QG2 66 ILE QD1 1.80 2.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1=1007,1008,1009,
igr2=1014,1015,1016,
&end
#
# 66 ILE QG2 66 ILE QG1 1.80 3.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1=1007,1008,1009,
igr2=1011,1012,
&end
#
# 66 ILE QG2 67 LYS+ HA 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1007,1008,1009,
&end
#
# 66 ILE QG2 67 LYS+ HN 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1007,1008,1009,
&end
#
# 66 ILE QG2 68 GLN HA 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1007,1008,1009,
&end
#
# 66 ILE QG2 68 GLN HB2 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1007,1008,1009,
&end
#
# 66 ILE QG2 68 GLN HB3 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1007,1008,1009,
&end
#
# 66 ILE QG2 68 GLN HN 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1042, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1=1007,1008,1009,
&end
#
# 66 ILE QG2 68 GLN QB 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=1007,1008,1009,
igr2=1046,1047,
&end
#
# 66 ILE QG2 68 GLN QG 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1007,1008,1009,
igr2=1049,1050,
&end
#
# 66 ILE QG2 69 LEU HG 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1=1007,1008,1009,
&end
#
# 66 ILE QG2 69 LEU HN 1.80 3.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1=1007,1008,1009,
&end
#
# 66 ILE QG2 70 GLY HN 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1007,1008,1009,
&end
#
# 66 ILE QG2 97 LEU QD2 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=1007,1008,1009,
igr2=1521,1522,1523,
&end
#
# 67 LYS+ HA 67 LYS+ HG2 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat=1022,1027, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 67 LYS+ HA 67 LYS+ HG3 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat=1022,1028, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 67 LYS+ HA 67 LYS+ QD 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1030,1031,
&end
#
# 67 LYS+ HA 69 LEU HN 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat=1022,1059, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 67 LYS+ HA 70 GLY HN 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat=1022,1078, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 67 LYS+ HA 71 ARG+ HN 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat=1022,1085, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 67 LYS+ HB2 67 LYS+ QE 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat=1024, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1033,1034,
&end
#
# 67 LYS+ HB2 68 GLN HN 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1024,1042, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 67 LYS+ HB3 68 GLN HN 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat=1025,1042, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 67 LYS+ HG2 67 LYS+ QE 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat=1027, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1033,1034,
&end
#
# 67 LYS+ HG2 68 GLN HN 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat=1027,1042, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 67 LYS+ HG3 67 LYS+ QD 1.80 2.89
&rst
ixpk= 0, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2=1030,1031,
&end
#
# 67 LYS+ HG3 67 LYS+ QE 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1033,1034,
&end
#
# 67 LYS+ HG3 68 GLN HA 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat=1028,1044, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 67 LYS+ HG3 68 GLN HN 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat=1028,1042, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 67 LYS+ HG3 68 GLN QG 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1049,1050,
&end
#
# 67 LYS+ HN 67 LYS+ HB2 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat=1020,1024, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 67 LYS+ HN 67 LYS+ HB3 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat=1020,1025, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 67 LYS+ HN 67 LYS+ HG2 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat=1020,1027, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 67 LYS+ HN 67 LYS+ HG3 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat=1020,1028, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 67 LYS+ HN 67 LYS+ QD 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1030,1031,
&end
#
# 67 LYS+ HN 68 GLN HN 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat=1020,1042, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 67 LYS+ HN 69 LEU HN 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat=1020,1059, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 68 GLN HA 68 GLN QG 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat=1044, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=1049,1050,
&end
#
# 68 GLN HA 70 GLY HN 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat=1044,1078, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 68 GLN HB2 69 LEU HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat=1046,1059, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 68 GLN HB3 69 LEU HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat=1047,1059, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 68 GLN HN 68 GLN HB2 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat=1042,1046, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 68 GLN HN 68 GLN HB3 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat=1042,1047, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 68 GLN HN 68 GLN QG 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat=1042, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1049,1050,
&end
#
# 68 GLN HN 69 LEU HG 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat=1042,1066, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 68 GLN HN 69 LEU HN 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1042,1059, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 68 GLN HN 70 GLY HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat=1042,1078, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 68 GLN QB 69 LEU HG 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1046,1047,
&end
#
# 68 GLN QB 69 LEU HN 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1046,1047,
&end
#
# 68 GLN QB 69 LEU QD2 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1=1046,1047,
igr2=1072,1073,1074,
&end
#
# 68 GLN QE2 102 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=1054,1055,
igr2=1597,1598,1599,
&end
#
# 68 GLN QE2 69 LEU QD2 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=1054,1055,
igr2=1072,1073,1074,
&end
#
# 68 GLN QG 102 VAL QG1 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1049,1050,
igr2=1597,1598,1599,
&end
#
# 68 GLN QG 102 VAL QG2 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1049,1050,
igr2=1601,1602,1603,
&end
#
# 68 GLN QG 68 GLN HE21 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1049,1050,
&end
#
# 68 GLN QG 68 GLN HE22 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1049,1050,
&end
#
# 68 GLN QG 68 GLN QE2 1.80 3.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1=1049,1050,
igr2=1054,1055,
&end
#
# 68 GLN QG 69 LEU HG 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1=1049,1050,
&end
#
# 68 GLN QG 69 LEU HN 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1049,1050,
&end
#
# 68 GLN QG 69 LEU QB 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1=1049,1050,
igr2=1063,1064,
&end
#
# 68 GLN QG 69 LEU QD2 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1049,1050,
igr2=1072,1073,1074,
&end
#
# 69 LEU HA 69 LEU HG 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat=1061,1066, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 69 LEU HA 69 LEU QD1 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1068,1069,1070,
&end
#
# 69 LEU HA 69 LEU QD2 1.80 2.70
&rst
ixpk= 0, nxpk= 0, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2=1072,1073,1074,
&end
#
# 69 LEU HB2 69 LEU QD1 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1068,1069,1070,
&end
#
# 69 LEU HB2 69 LEU QD2 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1072,1073,1074,
&end
#
# 69 LEU HB2 70 GLY HN 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat=1063,1078, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 69 LEU HB3 69 LEU QD1 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1068,1069,1070,
&end
#
# 69 LEU HB3 69 LEU QD2 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1072,1073,1074,
&end
#
# 69 LEU HB3 70 GLY HN 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat=1064,1078, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 69 LEU HG 70 GLY HN 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat=1066,1078, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 69 LEU HN 69 LEU HB2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1059,1063, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 69 LEU HN 69 LEU HB3 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1059,1064, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 69 LEU HN 69 LEU HG 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat=1059,1066, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 69 LEU HN 69 LEU QB 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1063,1064,
&end
#
# 69 LEU HN 69 LEU QD1 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1068,1069,1070,
&end
#
# 69 LEU HN 69 LEU QD2 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1072,1073,1074,
&end
#
# 69 LEU HN 70 GLY HN 1.80 2.98
&rst
ixpk= 0, nxpk= 0, iat=1059,1078, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 69 LEU QB 69 LEU QD1 1.80 2.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1=1063,1064,
igr2=1068,1069,1070,
&end
#
# 69 LEU QB 69 LEU QD2 1.80 3.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1=1063,1064,
igr2=1072,1073,1074,
&end
#
# 69 LEU QB 70 GLY HN 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1063,1064,
&end
#
# 69 LEU QB 71 ARG+ HN 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1085, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1063,1064,
&end
#
# 69 LEU QB 71 ARG+ QD 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1=1063,1064,
igr2=1095,1096,
&end
#
# 69 LEU QD1 100 LEU HA 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1567, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1068,1069,1070,
&end
#
# 69 LEU QD1 100 LEU HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1565, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1068,1069,1070,
&end
#
# 69 LEU QD1 100 LEU QB 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=1068,1069,1070,
igr2=1569,1570,
&end
#
# 69 LEU QD1 70 GLY HN 1.80 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1068,1069,1070,
&end
#
# 69 LEU QD1 71 ARG+ HG2 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1=1068,1069,1070,
&end
#
# 69 LEU QD1 71 ARG+ HN 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1085, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1068,1069,1070,
&end
#
# 69 LEU QD1 71 ARG+ QD 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=1068,1069,1070,
igr2=1095,1096,
&end
#
# 70 GLY HN 71 ARG+ HG2 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat=1078,1092, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 70 GLY HN 71 ARG+ HN 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat=1078,1085, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 71 ARG+ HA 72 ARG+ HG2 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=1087,1116, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 71 ARG+ HA 72 ARG+ HG3 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat=1087,1117, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 71 ARG+ HB2 71 ARG+ QD 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat=1089, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=1095,1096,
&end
#
# 71 ARG+ HB2 72 ARG+ HN 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat=1089,1109, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 71 ARG+ HB3 71 ARG+ QD 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=1095,1096,
&end
#
# 71 ARG+ HB3 72 ARG+ HN 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat=1090,1109, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 71 ARG+ HE 100 LEU QQD 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat=1098, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1574,1575,1576,1578,1579,1580,
&end
#
# 71 ARG+ HE 73 ILE QG2 1.80 5.17
&rst
ixpk= 0, nxpk= 0, iat=1098, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1139,1140,1141,
&end
#
# 71 ARG+ HG2 100 LEU QQD 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1574,1575,1576,1578,1579,1580,
&end
#
# 71 ARG+ HG2 72 ARG+ HN 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat=1092,1109, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 71 ARG+ HG3 72 ARG+ HA 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat=1093,1111, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 71 ARG+ HG3 72 ARG+ HN 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat=1093,1109, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 71 ARG+ HN 71 ARG+ HB2 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat=1085,1089, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 71 ARG+ HN 71 ARG+ HB3 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat=1085,1090, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 71 ARG+ HN 71 ARG+ HG2 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat=1085,1092, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 71 ARG+ HN 71 ARG+ HG3 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat=1085,1093, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 71 ARG+ HN 71 ARG+ QD 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat=1085, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=1095,1096,
&end
#
# 71 ARG+ HN 72 ARG+ HN 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat=1085,1109, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 71 ARG+ QB 72 ARG+ HN 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1=1089,1090,
&end
#
# 71 ARG+ QD 100 LEU QD1 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1095,1096,
igr2=1574,1575,1576,
&end
#
# 71 ARG+ QD 100 LEU QD2 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1095,1096,
igr2=1578,1579,1580,
&end
#
# 71 ARG+ QD 100 LEU QQD 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1095,1096,
igr2=1574,1575,1576,1578,1579,1580,
&end
#
# 71 ARG+ QD 73 ILE QG2 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=1095,1096,
igr2=1139,1140,1141,
&end
#
# 72 ARG+ HA 72 ARG+ HG2 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat=1111,1116, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 72 ARG+ HA 72 ARG+ HG3 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat=1111,1117, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 72 ARG+ HA 72 ARG+ QD 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1119,1120,
&end
#
# 72 ARG+ HA 73 ILE HG13 1.80 5.42
&rst
ixpk= 0, nxpk= 0, iat=1111,1144, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 72 ARG+ HA 73 ILE HN 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat=1111,1133, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 72 ARG+ HA 73 ILE QG2 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1139,1140,1141,
&end
#
# 72 ARG+ HB2 72 ARG+ QD 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1119,1120,
&end
#
# 72 ARG+ HB3 72 ARG+ QD 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat=1114, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1119,1120,
&end
#
# 72 ARG+ HG3 73 ILE HN 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat=1117,1133, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 72 ARG+ HN 72 ARG+ HG2 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat=1109,1116, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 72 ARG+ HN 72 ARG+ HG3 1.80 3.03
&rst
ixpk= 0, nxpk= 0, iat=1109,1117, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 72 ARG+ HN 72 ARG+ QB 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1113,1114,
&end
#
# 72 ARG+ HN 72 ARG+ QD 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1119,1120,
&end
#
# 72 ARG+ QB 72 ARG+ QD 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1=1113,1114,
igr2=1119,1120,
&end
#
# 72 ARG+ QB 73 ILE HN 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1113,1114,
&end
#
# 73 ILE HB 73 ILE QD1 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat=1137, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1146,1147,1148,
&end
#
# 73 ILE HB 74 PHE HN 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat=1137,1152, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 73 ILE HB 96 GLN HE22 1.80 5.17
&rst
ixpk= 0, nxpk= 0, iat=1137,1504, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 73 ILE HG12 74 PHE HN 1.80 5.22
&rst
ixpk= 0, nxpk= 0, iat=1143,1152, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 73 ILE HG13 93 LEU HA 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat=1144,1434, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 73 ILE HG13 93 LEU QD1 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat=1144, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1441,1442,1443,
&end
#
# 73 ILE HN 73 ILE HG12 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat=1133,1143, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 73 ILE HN 73 ILE HG13 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat=1133,1144, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 73 ILE HN 73 ILE QD1 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1133, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1146,1147,1148,
&end
#
# 73 ILE HN 73 ILE QG2 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat=1133, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1139,1140,1141,
&end
#
# 73 ILE HN 93 LEU QD1 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat=1133, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1441,1442,1443,
&end
#
# 73 ILE QD1 93 LEU HA 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1434, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=1146,1147,1148,
&end
#
# 73 ILE QD1 96 GLN HB2 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1495, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1146,1147,1148,
&end
#
# 73 ILE QD1 96 GLN HB3 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1496, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1146,1147,1148,
&end
#
# 73 ILE QD1 96 GLN HE21 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1503, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1146,1147,1148,
&end
#
# 73 ILE QD1 96 GLN HE22 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1504, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1146,1147,1148,
&end
#
# 73 ILE QD1 96 GLN QB 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1146,1147,1148,
igr2=1495,1496,
&end
#
# 73 ILE QD1 96 GLN QG 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1146,1147,1148,
igr2=1498,1499,
&end
#
# 73 ILE QD1 97 LEU HA 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1510, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1146,1147,1148,
&end
#
# 73 ILE QD1 97 LEU HB2 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1146,1147,1148,
&end
#
# 73 ILE QD1 97 LEU HB3 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1513, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1146,1147,1148,
&end
#
# 73 ILE QD1 97 LEU HG 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1515, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1=1146,1147,1148,
&end
#
# 73 ILE QD1 97 LEU HN 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1508, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1146,1147,1148,
&end
#
# 73 ILE QD1 97 LEU QD1 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1146,1147,1148,
igr2=1517,1518,1519,
&end
#
# 73 ILE QD1 97 LEU QD2 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1146,1147,1148,
igr2=1521,1522,1523,
&end
#
# 73 ILE QG2 73 ILE HG13 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1144, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1139,1140,1141,
&end
#
# 73 ILE QG2 73 ILE QD1 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=1139,1140,1141,
igr2=1146,1147,1148,
&end
#
# 73 ILE QG2 74 PHE HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1139,1140,1141,
&end
#
# 73 ILE QG2 74 PHE HN 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1152, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1139,1140,1141,
&end
#
# 73 ILE QG2 93 LEU HA 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1434, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1139,1140,1141,
&end
#
# 73 ILE QG2 96 GLN HA 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1493, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1139,1140,1141,
&end
#
# 73 ILE QG2 96 GLN HB2 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1495, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1139,1140,1141,
&end
#
# 73 ILE QG2 96 GLN HB3 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1496, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1139,1140,1141,
&end
#
# 73 ILE QG2 96 GLN HE22 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1504, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1139,1140,1141,
&end
#
# 73 ILE QG2 96 GLN QB 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1139,1140,1141,
igr2=1495,1496,
&end
#
# 73 ILE QG2 96 GLN QG 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1139,1140,1141,
igr2=1498,1499,
&end
#
# 73 ILE QG2 97 LEU HN 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1508, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1139,1140,1141,
&end
#
# 74 PHE HA 74 PHE QD 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1160,1168,
&end
#
# 74 PHE HA 75 ALA HN 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat=1154,1172, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 74 PHE HA 75 ALA QB 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1176,1177,1178,
&end
#
# 74 PHE HA 93 LEU QD1 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1441,1442,1443,
&end
#
# 74 PHE HB2 75 ALA HN 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat=1156,1172, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 74 PHE HB3 75 ALA HN 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat=1157,1172, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 74 PHE HB3 93 LEU QD1 1.80 5.46
&rst
ixpk= 0, nxpk= 0, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2=1441,1442,1443,
&end
#
# 74 PHE HN 74 PHE HB2 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat=1152,1156, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 74 PHE HN 74 PHE HB3 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat=1152,1157, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 74 PHE HN 74 PHE QD 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1160,1168,
&end
#
# 74 PHE HN 75 ALA HN 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat=1152,1172, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 74 PHE HN 75 ALA QB 1.80 5.28
&rst
ixpk= 0, nxpk= 0, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=1176,1177,1178,
&end
#
# 74 PHE HN 93 LEU QD1 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1441,1442,1443,
&end
#
# 74 PHE HN 96 GLN HE21 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1152,1503, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 PHE HN 96 GLN HE22 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat=1152,1504, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 74 PHE HZ 76 ARG+ HD2 1.80 5.28
&rst
ixpk= 0, nxpk= 0, iat=1164,1192, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 74 PHE HZ 76 ARG+ HD3 1.80 5.28
&rst
ixpk= 0, nxpk= 0, iat=1164,1193, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 74 PHE HZ 76 ARG+ QB 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat=1164, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1186,1187,
&end
#
# 74 PHE HZ 76 ARG+ QD 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat=1164, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=1192,1193,
&end
#
# 74 PHE QD 75 ALA HA 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1160,1168,
&end
#
# 74 PHE QD 75 ALA HN 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1172, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1160,1168,
&end
#
# 74 PHE QD 75 ALA QB 1.80 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1160,1168,
igr2=1176,1177,1178,
&end
#
# 74 PHE QD 76 ARG+ QB 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1=1160,1168,
igr2=1186,1187,
&end
#
# 74 PHE QD 93 LEU QD1 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=1160,1168,
igr2=1441,1442,1443,
&end
#
# 74 PHE QE 76 ARG+ HD2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1192, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1162,1166,
&end
#
# 74 PHE QE 76 ARG+ HD3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1193, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1162,1166,
&end
#
# 74 PHE QE 76 ARG+ QB 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1162,1166,
igr2=1186,1187,
&end
#
# 75 ALA HA 76 ARG+ HN 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat=1174,1182, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 75 ALA HA 93 LEU QD1 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat=1174, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1441,1442,1443,
&end
#
# 75 ALA HN 75 ALA QB 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat=1172, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1176,1177,1178,
&end
#
# 75 ALA HN 93 LEU QD1 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat=1172, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1441,1442,1443,
&end
#
# 75 ALA QB 76 ARG+ HN 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1=1176,1177,1178,
&end
#
# 75 ALA QB 77 GLU- HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1176,1177,1178,
&end
#
# 75 ALA QB 77 GLU- QG 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1176,1177,1178,
igr2=1213,1214,
&end
#
# 75 ALA QB 89 CYS HA 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1176,1177,1178,
&end
#
# 75 ALA QB 89 CYS HB3 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1176,1177,1178,
&end
#
# 75 ALA QB 92 SER HA 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1176,1177,1178,
&end
#
# 75 ALA QB 92 SER HB2 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=1176,1177,1178,
&end
#
# 75 ALA QB 92 SER HB3 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1426, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=1176,1177,1178,
&end
#
# 75 ALA QB 92 SER HG 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1428, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1176,1177,1178,
&end
#
# 75 ALA QB 92 SER HN 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1421, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1176,1177,1178,
&end
#
# 75 ALA QB 92 SER QB 1.80 3.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1=1176,1177,1178,
igr2=1425,1426,
&end
#
# 75 ALA QB 93 LEU HA 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1434, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=1176,1177,1178,
&end
#
# 75 ALA QB 93 LEU HB2 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1176,1177,1178,
&end
#
# 75 ALA QB 93 LEU HB3 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1437, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1176,1177,1178,
&end
#
# 75 ALA QB 93 LEU HG 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1439, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1176,1177,1178,
&end
#
# 75 ALA QB 93 LEU HN 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1,1432, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1176,1177,1178,
&end
#
# 75 ALA QB 93 LEU QD1 1.80 2.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1=1176,1177,1178,
igr2=1441,1442,1443,
&end
#
# 75 ALA QB 93 LEU QD2 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=1176,1177,1178,
igr2=1445,1446,1447,
&end
#
# 75 ALA QB 96 GLN HE21 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1503, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1176,1177,1178,
&end
#
# 75 ALA QB 96 GLN HE22 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1504, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1176,1177,1178,
&end
#
# 76 ARG+ HA 77 GLU- HB2 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat=1184,1210, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 76 ARG+ HA 77 GLU- HN 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat=1184,1206, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 76 ARG+ HG2 77 GLU- HN 1.80 5.26
&rst
ixpk= 0, nxpk= 0, iat=1189,1206, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 76 ARG+ HG3 77 GLU- HN 1.80 5.26
&rst
ixpk= 0, nxpk= 0, iat=1190,1206, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 76 ARG+ HN 77 GLU- QG 1.80 5.20
&rst
ixpk= 0, nxpk= 0, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1213,1214,
&end
#
# 76 ARG+ QB 76 ARG+ HD2 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1192, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1186,1187,
&end
#
# 76 ARG+ QB 76 ARG+ HD3 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1193, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1186,1187,
&end
#
# 76 ARG+ QB 76 ARG+ QD 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1186,1187,
igr2=1192,1193,
&end
#
# 76 ARG+ QB 77 GLU- HN 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1186,1187,
&end
#
# 76 ARG+ QG 77 GLU- HN 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1189,1190,
&end
#
# 77 GLU- HA 78 HIS HN 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat=1208,1221, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 77 GLU- HA 78 HIS QB 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1225,1226,
&end
#
# 77 GLU- HB2 78 HIS HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat=1210,1221, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 77 GLU- HB2 88 SER HB2 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat=1210,1374, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 77 GLU- HB2 88 SER HB3 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat=1210,1375, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 77 GLU- HB2 88 SER QB 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat=1210, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1374,1375,
&end
#
# 77 GLU- HB2 89 CYS HA 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat=1210,1383, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 77 GLU- HB2 89 CYS HB2 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat=1210,1385, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 77 GLU- HB2 89 CYS HN 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat=1210,1381, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 77 GLU- HB3 78 HIS HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat=1211,1221, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 77 GLU- HB3 88 SER HB2 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat=1211,1374, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 77 GLU- HB3 88 SER HB3 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat=1211,1375, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 77 GLU- HB3 88 SER QB 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat=1211, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1374,1375,
&end
#
# 77 GLU- HB3 89 CYS HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat=1211,1381, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 77 GLU- HG2 89 CYS HA 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat=1213,1383, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 77 GLU- HG2 89 CYS HN 1.80 5.12
&rst
ixpk= 0, nxpk= 0, iat=1213,1381, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 77 GLU- HG3 89 CYS HA 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat=1214,1383, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 77 GLU- HG3 89 CYS HN 1.80 5.12
&rst
ixpk= 0, nxpk= 0, iat=1214,1381, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 77 GLU- HN 77 GLU- HG2 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat=1206,1213, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 77 GLU- HN 77 GLU- HG3 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat=1206,1214, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 77 GLU- QG 78 HIS HN 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1221, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1213,1214,
&end
#
# 77 GLU- QG 89 CYS HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1381, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1213,1214,
&end
#
# 77 GLU- QG 92 SER QB 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=1213,1214,
igr2=1425,1426,
&end
#
# 78 HIS HA 78 HIS HD2 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat=1223,1234, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 78 HIS HA 79 GLY HN 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat=1223,1238, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 78 HIS HA 85 ALA QB 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat=1223, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1337,1338,1339,
&end
#
# 78 HIS HN 78 HIS HD2 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat=1221,1234, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 78 HIS HN 78 HIS QB 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat=1221, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1225,1226,
&end
#
# 78 HIS QB 79 GLY HN 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=1225,1226,
&end
#
# 79 GLY HA2 85 ALA HA 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1240,1335, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 79 GLY HA3 85 ALA HA 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1241,1335, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 79 GLY HN 85 ALA HA 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat=1238,1335, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 79 GLY HN 85 ALA QB 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat=1238, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1337,1338,1339,
&end
#
# 79 GLY QA 81 ASN HN 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1256, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1240,1241,
&end
#
# 79 GLY QA 84 LEU QB 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1240,1241,
igr2=1318,1319,
&end
#
# 79 GLY QA 85 ALA HA 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1335, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1=1240,1241,
&end
#
# 79 GLY QA 85 ALA HN 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1240,1241,
&end
#
# 79 GLY QA 85 ALA QB 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1240,1241,
igr2=1337,1338,1339,
&end
#
# 80 SER HN 80 SER QB 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat=1245, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2=1249,1250,
&end
#
# 80 SER HN 81 ASN HN 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat=1245,1256, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 80 SER HN 84 LEU HB2 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat=1245,1318, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 80 SER HN 84 LEU HB3 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat=1245,1319, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 80 SER HN 84 LEU QB 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat=1245, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1318,1319,
&end
#
# 80 SER HN 84 LEU QD1 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat=1245, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1323,1324,1325,
&end
#
# 80 SER HN 84 LEU QD2 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat=1245, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1327,1328,1329,
&end
#
# 80 SER HN 84 LEU QQD 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat=1245, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1323,1324,1325,1327,1328,1329,
&end
#
# 80 SER QB 81 ASN HN 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1256, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1249,1250,
&end
#
# 80 SER QB 84 LEU QB 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1249,1250,
igr2=1318,1319,
&end
#
# 80 SER QB 84 LEU QQD 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1249,1250,
igr2=1323,1324,1325,1327,1328,1329,
&end
#
# 81 ASN HB2 82 LYS+ HN 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat=1260,1270, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 81 ASN HB3 82 LYS+ HN 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat=1261,1270, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 81 ASN HN 82 LYS+ HN 1.80 5.19
&rst
ixpk= 0, nxpk= 0, iat=1256,1270, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 81 ASN HN 84 LEU HB2 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat=1256,1318, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 81 ASN HN 84 LEU HB3 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat=1256,1319, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 81 ASN HN 84 LEU HG 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat=1256,1321, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 81 ASN HN 84 LEU HN 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat=1256,1314, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 81 ASN HN 84 LEU QB 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat=1256, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=1318,1319,
&end
#
# 81 ASN HN 84 LEU QQD 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat=1256, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1323,1324,1325,1327,1328,1329,
&end
#
# 81 ASN HN 85 ALA HN 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat=1256,1333, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 81 ASN HN 85 ALA QB 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat=1256, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1337,1338,1339,
&end
#
# 81 ASN QD2 82 LYS+ HN 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1265,1266,
&end
#
# 81 ASN QD2 84 LEU HG 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1321, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1265,1266,
&end
#
# 81 ASN QD2 84 LEU HN 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1265,1266,
&end
#
# 81 ASN QD2 84 LEU QQD 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1=1265,1266,
igr2=1323,1324,1325,1327,1328,1329,
&end
#
# 82 LYS+ HA 82 LYS+ HD2 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat=1272,1280, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 82 LYS+ HA 82 LYS+ HD3 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat=1272,1281, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 82 LYS+ HA 82 LYS+ HE2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1272,1283, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 LYS+ HA 82 LYS+ HE3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1272,1284, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 LYS+ HA 82 LYS+ HG2 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat=1272,1277, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 82 LYS+ HA 82 LYS+ HG3 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat=1272,1278, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 82 LYS+ HA 82 LYS+ QD 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat=1272, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1280,1281,
&end
#
# 82 LYS+ HA 82 LYS+ QG 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat=1272, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=1277,1278,
&end
#
# 82 LYS+ HA 85 ALA HN 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat=1272,1333, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 82 LYS+ HA 85 ALA QB 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat=1272, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1337,1338,1339,
&end
#
# 82 LYS+ HA 86 ALA HN 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat=1272,1343, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 82 LYS+ HN 82 LYS+ HB2 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat=1270,1274, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 82 LYS+ HN 82 LYS+ HB3 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat=1270,1275, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 82 LYS+ HN 82 LYS+ HD2 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat=1270,1280, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 82 LYS+ HN 82 LYS+ HD3 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat=1270,1281, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 82 LYS+ HN 82 LYS+ HG2 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat=1270,1277, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 82 LYS+ HN 82 LYS+ HG3 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat=1270,1278, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 82 LYS+ HN 82 LYS+ QD 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1280,1281,
&end
#
# 82 LYS+ HN 82 LYS+ QG 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1277,1278,
&end
#
# 82 LYS+ HN 83 LYS+ HN 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat=1270,1292, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 82 LYS+ HN 85 ALA QB 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1337,1338,1339,
&end
#
# 82 LYS+ QB 82 LYS+ QE 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1274,1275,
igr2=1283,1284,
&end
#
# 82 LYS+ QB 83 LYS+ HN 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1=1274,1275,
&end
#
# 82 LYS+ QG 82 LYS+ QE 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1277,1278,
igr2=1283,1284,
&end
#
# 83 LYS+ HA 83 LYS+ HD2 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat=1294,1302, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 83 LYS+ HA 83 LYS+ HD3 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat=1294,1303, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 83 LYS+ HA 83 LYS+ HG2 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat=1294,1299, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 83 LYS+ HA 83 LYS+ HG3 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat=1294,1300, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 83 LYS+ HA 83 LYS+ QD 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat=1294, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1302,1303,
&end
#
# 83 LYS+ HA 86 ALA HN 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat=1294,1343, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 83 LYS+ HA 86 ALA QB 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat=1294, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1347,1348,1349,
&end
#
# 83 LYS+ HA 87 GLN HN 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1294,1353, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 83 LYS+ HB2 84 LEU HN 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat=1296,1314, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 83 LYS+ HB3 84 LEU HN 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat=1297,1314, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 83 LYS+ HB3 87 GLN QE2 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat=1297, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1365,1366,
&end
#
# 83 LYS+ HD2 84 LEU HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1302,1314, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 LYS+ HD3 84 LEU HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1303,1314, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 LYS+ HG2 83 LYS+ QE 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat=1299, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1305,1306,
&end
#
# 83 LYS+ HG2 84 LEU HN 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat=1299,1314, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 83 LYS+ HG3 83 LYS+ QE 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1305,1306,
&end
#
# 83 LYS+ HG3 84 LEU HN 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat=1300,1314, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 83 LYS+ HN 83 LYS+ HB2 1.80 2.92
&rst
ixpk= 0, nxpk= 0, iat=1292,1296, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 83 LYS+ HN 83 LYS+ HB3 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat=1292,1297, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 83 LYS+ HN 83 LYS+ HD2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1292,1302, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 LYS+ HN 83 LYS+ HD3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1292,1303, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 LYS+ HN 83 LYS+ HG2 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat=1292,1299, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 83 LYS+ HN 83 LYS+ HG3 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat=1292,1300, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 83 LYS+ HN 83 LYS+ QD 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat=1292, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1302,1303,
&end
#
# 83 LYS+ HN 83 LYS+ QG 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat=1292, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1299,1300,
&end
#
# 83 LYS+ HN 84 LEU HN 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat=1292,1314, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 83 LYS+ QG 83 LYS+ QE 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1=1299,1300,
igr2=1305,1306,
&end
#
# 83 LYS+ QG 84 LEU HN 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1299,1300,
&end
#
# 84 LEU HA 84 LEU HG 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat=1316,1321, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 84 LEU HA 84 LEU QD1 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1323,1324,1325,
&end
#
# 84 LEU HA 84 LEU QD2 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1327,1328,1329,
&end
#
# 84 LEU HA 84 LEU QQD 1.80 2.68
&rst
ixpk= 0, nxpk= 0, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=1323,1324,1325,1327,1328,1329,
&end
#
# 84 LEU HA 87 GLN HB2 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat=1316,1357, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 84 LEU HA 87 GLN HB3 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat=1316,1358, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 84 LEU HA 87 GLN HG3 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat=1316,1361, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 84 LEU HA 87 GLN HN 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat=1316,1353, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 84 LEU HB2 85 ALA HN 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat=1318,1333, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 84 LEU HB3 85 ALA HN 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat=1319,1333, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 84 LEU HG 85 ALA HN 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat=1321,1333, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 84 LEU HG 87 GLN QE2 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat=1321, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2=1365,1366,
&end
#
# 84 LEU HN 84 LEU HB2 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat=1314,1318, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 84 LEU HN 84 LEU HB3 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat=1314,1319, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 84 LEU HN 84 LEU HG 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat=1314,1321, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 84 LEU HN 84 LEU QB 1.80 3.04
&rst
ixpk= 0, nxpk= 0, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2=1318,1319,
&end
#
# 84 LEU HN 84 LEU QD1 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1323,1324,1325,
&end
#
# 84 LEU HN 84 LEU QD2 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1327,1328,1329,
&end
#
# 84 LEU HN 84 LEU QQD 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2=1323,1324,1325,1327,1328,1329,
&end
#
# 84 LEU HN 85 ALA HN 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat=1314,1333, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 84 LEU HN 85 ALA QB 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1337,1338,1339,
&end
#
# 84 LEU HN 87 GLN QE2 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1365,1366,
&end
#
# 84 LEU QB 84 LEU QQD 1.80 2.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1=1318,1319,
igr2=1323,1324,1325,1327,1328,1329,
&end
#
# 84 LEU QB 85 ALA HN 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1=1318,1319,
&end
#
# 84 LEU QB 87 GLN QE2 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=1318,1319,
igr2=1365,1366,
&end
#
# 84 LEU QD1 85 ALA HN 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1323,1324,1325,
&end
#
# 84 LEU QD2 85 ALA HN 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1327,1328,1329,
&end
#
# 84 LEU QQD 85 ALA HN 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1323,1324,1325,1327,1328,1329,
&end
#
# 84 LEU QQD 87 GLN HB2 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1357, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1323,1324,1325,1327,1328,1329,
&end
#
# 84 LEU QQD 87 GLN QE2 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1323,1324,1325,1327,1328,1329,
igr2=1365,1366,
&end
#
# 85 ALA HN 85 ALA QB 1.80 2.98
&rst
ixpk= 0, nxpk= 0, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2=1337,1338,1339,
&end
#
# 85 ALA HN 86 ALA HN 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat=1333,1343, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 85 ALA HN 86 ALA QB 1.80 5.42
&rst
ixpk= 0, nxpk= 0, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1347,1348,1349,
&end
#
# 85 ALA QB 86 ALA HA 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1337,1338,1339,
&end
#
# 85 ALA QB 86 ALA HN 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1343, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1=1337,1338,1339,
&end
#
# 85 ALA QB 86 ALA QB 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1337,1338,1339,
igr2=1347,1348,1349,
&end
#
# 85 ALA QB 87 GLN HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1353, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1337,1338,1339,
&end
#
# 85 ALA QB 89 CYS HB2 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1337,1338,1339,
&end
#
# 85 ALA QB 89 CYS HN 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1381, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1337,1338,1339,
&end
#
# 86 ALA HA 89 CYS HB2 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat=1345,1385, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 86 ALA HA 89 CYS HB3 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat=1345,1386, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 86 ALA HA 89 CYS HN 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat=1345,1381, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 86 ALA HA 90 ALA HN 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat=1345,1392, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 86 ALA HN 86 ALA QB 1.80 2.87
&rst
ixpk= 0, nxpk= 0, iat=1343, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2=1347,1348,1349,
&end
#
# 86 ALA HN 87 GLN HN 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat=1343,1353, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 86 ALA QB 87 GLN HA 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1347,1348,1349,
&end
#
# 86 ALA QB 87 GLN HG3 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=1347,1348,1349,
&end
#
# 86 ALA QB 87 GLN HN 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1353, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1=1347,1348,1349,
&end
#
# 86 ALA QB 89 CYS HB2 1.80 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1347,1348,1349,
&end
#
# 86 ALA QB 89 CYS HB3 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1347,1348,1349,
&end
#
# 86 ALA QB 89 CYS HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1381, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1347,1348,1349,
&end
#
# 86 ALA QB 90 ALA HN 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1392, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1347,1348,1349,
&end
#
# 86 ALA QB 90 ALA QB 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1=1347,1348,1349,
igr2=1396,1397,1398,
&end
#
# 87 GLN HA 87 GLN HG2 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat=1355,1360, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 87 GLN HA 87 GLN HG3 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat=1355,1361, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 87 GLN HA 89 CYS HN 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat=1355,1381, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 87 GLN HA 90 ALA HN 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1355,1392, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 87 GLN HA 90 ALA QB 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat=1355, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1396,1397,1398,
&end
#
# 87 GLN HA 91 LEU HN 1.80 5.17
&rst
ixpk= 0, nxpk= 0, iat=1355,1402, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 87 GLN HB2 87 GLN QE2 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1365,1366,
&end
#
# 87 GLN HB2 88 SER HN 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat=1357,1370, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 87 GLN HB3 88 SER HA 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat=1358,1372, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 87 GLN HB3 88 SER HN 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat=1358,1370, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 87 GLN HG3 87 GLN QE2 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat=1361, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1365,1366,
&end
#
# 87 GLN HN 87 GLN HB2 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat=1353,1357, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 87 GLN HN 87 GLN HB3 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat=1353,1358, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 87 GLN HN 87 GLN HG2 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat=1353,1360, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 87 GLN HN 87 GLN HG3 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat=1353,1361, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 88 SER HA 91 LEU HB2 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat=1372,1406, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 88 SER HA 91 LEU HB3 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat=1372,1407, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 88 SER HA 91 LEU HG 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1372,1409, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 SER HA 91 LEU HN 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat=1372,1402, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 88 SER HA 91 LEU QB 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat=1372, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1406,1407,
&end
#
# 88 SER HA 91 LEU QQD 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat=1372, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 88 SER HB2 89 CYS HN 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1374,1381, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 88 SER HB3 89 CYS HN 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1375,1381, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 88 SER HN 88 SER HB2 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat=1370,1374, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 88 SER HN 88 SER HB3 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat=1370,1375, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 88 SER HN 89 CYS HN 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat=1370,1381, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 88 SER HN 90 ALA HN 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat=1370,1392, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 89 CYS HA 89 CYS HG 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat=1383,1388, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 89 CYS HA 92 SER HB2 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat=1383,1425, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 89 CYS HA 92 SER HB3 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat=1383,1426, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 89 CYS HA 92 SER HN 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat=1383,1421, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 89 CYS HA 92 SER QB 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat=1383, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1425,1426,
&end
#
# 89 CYS HA 93 LEU HN 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat=1383,1432, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 89 CYS HB2 90 ALA HN 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat=1385,1392, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 89 CYS HB3 90 ALA HN 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat=1386,1392, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 89 CYS HB3 90 ALA QB 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat=1386, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1396,1397,1398,
&end
#
# 89 CYS HN 89 CYS HB2 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat=1381,1385, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 89 CYS HN 89 CYS HB3 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat=1381,1386, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 89 CYS HN 89 CYS HG 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat=1381,1388, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 89 CYS HN 90 ALA HN 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat=1381,1392, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 89 CYS HN 90 ALA QB 1.80 5.36
&rst
ixpk= 0, nxpk= 0, iat=1381, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2=1396,1397,1398,
&end
#
# 89 CYS HN 91 LEU HN 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat=1381,1402, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 90 ALA HA 93 LEU HB2 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat=1394,1436, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 90 ALA HA 93 LEU HB3 1.80 5.33
&rst
ixpk= 0, nxpk= 0, iat=1394,1437, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 90 ALA HA 93 LEU HG 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat=1394,1439, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 90 ALA HA 93 LEU HN 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat=1394,1432, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 90 ALA HA 93 LEU QD2 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat=1394, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1445,1446,1447,
&end
#
# 90 ALA HN 90 ALA QB 1.80 2.86
&rst
ixpk= 0, nxpk= 0, iat=1392, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2=1396,1397,1398,
&end
#
# 90 ALA HN 91 LEU HN 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat=1392,1402, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 90 ALA HN 92 SER HN 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat=1392,1421, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 90 ALA HN 93 LEU QD2 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat=1392, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=1445,1446,1447,
&end
#
# 90 ALA QB 91 LEU HN 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1=1396,1397,1398,
&end
#
# 91 LEU HA 91 LEU HG 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat=1404,1409, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 91 LEU HA 91 LEU QD1 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1411,1412,1413,
&end
#
# 91 LEU HA 91 LEU QD2 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1415,1416,1417,
&end
#
# 91 LEU HA 91 LEU QQD 1.80 2.96
&rst
ixpk= 0, nxpk= 0, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 91 LEU HA 94 VAL HB 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1404,1455, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 91 LEU HA 94 VAL HN 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat=1404,1451, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 91 LEU HA 94 VAL QG1 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1457,1458,1459,
&end
#
# 91 LEU HA 94 VAL QG2 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1461,1462,1463,
&end
#
# 91 LEU HA 95 ARG+ HN 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat=1404,1467, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 91 LEU HB2 91 LEU QD1 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat=1406, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1411,1412,1413,
&end
#
# 91 LEU HB2 91 LEU QD2 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat=1406, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1415,1416,1417,
&end
#
# 91 LEU HB2 92 SER HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat=1406,1421, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 91 LEU HB3 91 LEU QD1 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat=1407, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1411,1412,1413,
&end
#
# 91 LEU HB3 91 LEU QD2 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat=1407, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1415,1416,1417,
&end
#
# 91 LEU HB3 92 SER HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat=1407,1421, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 91 LEU HG 92 SER HN 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat=1409,1421, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 91 LEU HG 95 ARG+ HD2 1.80 5.36
&rst
ixpk= 0, nxpk= 0, iat=1409,1477, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 91 LEU HG 95 ARG+ HD3 1.80 5.36
&rst
ixpk= 0, nxpk= 0, iat=1409,1478, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 91 LEU HG 95 ARG+ HE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1409,1480, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 LEU HG 95 ARG+ QD 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat=1409, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1477,1478,
&end
#
# 91 LEU HG 95 ARG+ QG 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat=1409, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1474,1475,
&end
#
# 91 LEU HN 91 LEU HB2 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat=1402,1406, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 91 LEU HN 91 LEU HB3 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat=1402,1407, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 91 LEU HN 91 LEU HG 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat=1402,1409, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 91 LEU HN 91 LEU QB 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat=1402, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2=1406,1407,
&end
#
# 91 LEU HN 91 LEU QD1 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat=1402, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1411,1412,1413,
&end
#
# 91 LEU HN 91 LEU QD2 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat=1402, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1415,1416,1417,
&end
#
# 91 LEU HN 92 SER HN 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat=1402,1421, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 91 LEU HN 94 VAL QG2 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat=1402, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1461,1462,1463,
&end
#
# 91 LEU QB 91 LEU QQD 1.80 2.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1406,1407,
igr2=1411,1412,1413,1415,1416,1417,
&end
#
# 91 LEU QB 92 SER HN 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1421, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1=1406,1407,
&end
#
# 91 LEU QB 95 ARG+ 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=1406,1407,
igr2=1477,1478,
&end
#
# 91 LEU QB 95 ARG+ QG 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=1406,1407,
igr2=1474,1475,
&end
#
# 91 LEU QD1 92 SER HN 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1421, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1411,1412,1413,
&end
#
# 91 LEU QD2 92 SER HN 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1421, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1415,1416,1417,
&end
#
# 91 LEU QQD 92 SER HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1421, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1411,1412,1413,1415,1416,1417,
&end
#
# 91 LEU QQD 94 VAL HB 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1455, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1411,1412,1413,1415,1416,1417,
&end
#
# 91 LEU QQD 94 VAL QG1 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=1411,1412,1413,1415,1416,1417,
igr2=1457,1458,1459,
&end
#
# 91 LEU QQD 95 ARG+ HE 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1480, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=1411,1412,1413,1415,1416,1417,
&end
#
# 91 LEU QQD 95 ARG+ HN 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1467, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1411,1412,1413,1415,1416,1417,
&end
#
# 91 LEU QQD 95 ARG+ QD 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1411,1412,1413,1415,1416,1417,
igr2=1477,1478,
&end
#
# 91 LEU QQD 95 ARG+ QG 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1411,1412,1413,1415,1416,1417,
igr2=1474,1475,
&end
#
# 91 LEU QQD 95 ARG+ QH1 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1=1411,1412,1413,1415,1416,1417,
igr2=1483,1484,
&end
#
# 91 LEU QQD 95 ARG+ QH2 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1411,1412,1413,1415,1416,1417,
igr2=1486,1487,
&end
#
# 92 SER HA 95 ARG+ HB2 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat=1423,1471, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 92 SER HA 95 ARG+ HN 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat=1423,1467, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 92 SER HA 96 GLN HE21 1.80 5.26
&rst
ixpk= 0, nxpk= 0, iat=1423,1503, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 92 SER HA 96 GLN HE22 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1423,1504, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 SER HN 92 SER HB2 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat=1421,1425, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 92 SER HN 92 SER HB3 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat=1421,1426, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 92 SER HN 92 SER QB 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat=1421, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2=1425,1426,
&end
#
# 92 SER HN 93 LEU HN 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat=1421,1432, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 92 SER HN 93 LEU QD2 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat=1421, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1445,1446,1447,
&end
#
# 92 SER QB 93 LEU HN 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1432, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1=1425,1426,
&end
#
# 92 SER QB 93 LEU QD1 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1=1425,1426,
igr2=1441,1442,1443,
&end
#
# 93 LEU HA 93 LEU HG 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat=1434,1439, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 93 LEU HA 93 LEU QD1 1.80 2.91
&rst
ixpk= 0, nxpk= 0, iat=1434, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2=1441,1442,1443,
&end
#
# 93 LEU HA 96 GLN HE21 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat=1434,1503, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 93 LEU HA 96 GLN HE22 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat=1434,1504, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 93 LEU HA 96 GLN QB 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat=1434, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1495,1496,
&end
#
# 93 LEU HA 96 GLN QG 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat=1434, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1498,1499,
&end
#
# 93 LEU HA 97 LEU HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1434,1508, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 93 LEU HA 97 LEU QD1 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat=1434, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=1517,1518,1519,
&end
#
# 93 LEU HB2 93 LEU QD1 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat=1436, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1441,1442,1443,
&end
#
# 93 LEU HB2 93 LEU QD2 1.80 2.96
&rst
ixpk= 0, nxpk= 0, iat=1436, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2=1445,1446,1447,
&end
#
# 93 LEU HB2 94 VAL HN 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1436,1451, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 93 LEU HB2 97 LEU QD1 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat=1436, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1517,1518,1519,
&end
#
# 93 LEU HB3 93 LEU QD1 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat=1437, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1441,1442,1443,
&end
#
# 93 LEU HB3 93 LEU QD2 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat=1437, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1445,1446,1447,
&end
#
# 93 LEU HB3 94 VAL HN 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat=1437,1451, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 93 LEU HB3 97 LEU QD1 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat=1437, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1517,1518,1519,
&end
#
# 93 LEU HG 94 VAL HN 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat=1439,1451, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 93 LEU HN 93 LEU HB2 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1432,1436, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 93 LEU HN 93 LEU HB3 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat=1432,1437, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 93 LEU HN 93 LEU HG 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat=1432,1439, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 93 LEU HN 93 LEU QD1 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat=1432, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2=1441,1442,1443,
&end
#
# 93 LEU HN 93 LEU QD2 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat=1432, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1445,1446,1447,
&end
#
# 93 LEU HN 94 VAL HA 1.80 5.33
&rst
ixpk= 0, nxpk= 0, iat=1432,1453, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 93 LEU HN 94 VAL HN 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat=1432,1451, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 93 LEU HN 94 VAL QG2 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat=1432, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1461,1462,1463,
&end
#
# 93 LEU HN 97 LEU QD1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1432, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1517,1518,1519,
&end
#
# 93 LEU QD1 94 VAL HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1453, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1441,1442,1443,
&end
#
# 93 LEU QD1 96 GLN HE21 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1503, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1441,1442,1443,
&end
#
# 93 LEU QD1 96 GLN HE22 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1504, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1441,1442,1443,
&end
#
# 93 LEU QD1 96 GLN QB 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1441,1442,1443,
igr2=1495,1496,
&end
#
# 93 LEU QD1 96 GLN QG 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=1441,1442,1443,
igr2=1498,1499,
&end
#
# 93 LEU QD1 97 LEU QD1 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1441,1442,1443,
igr2=1517,1518,1519,
&end
#
# 93 LEU QD2 94 VAL HN 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1451, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1445,1446,1447,
&end
#
# 93 LEU QD2 97 LEU QD1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1445,1446,1447,
igr2=1517,1518,1519,
&end
#
# 94 VAL HA 103 ILE QD1 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat=1453, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1620,1621,1622,
&end
#
# 94 VAL HA 103 ILE QG2 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat=1453, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1613,1614,1615,
&end
#
# 94 VAL HA 94 VAL QG1 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat=1453, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1457,1458,1459,
&end
#
# 94 VAL HA 94 VAL QG2 1.80 3.05
&rst
ixpk= 0, nxpk= 0, iat=1453, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=1461,1462,1463,
&end
#
# 94 VAL HA 97 LEU HG 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat=1453,1515, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 94 VAL HA 97 LEU HN 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat=1453,1508, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 94 VAL HA 97 LEU QB 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat=1453, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2=1512,1513,
&end
#
# 94 VAL HA 97 LEU QD1 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1453, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1517,1518,1519,
&end
#
# 94 VAL HA 97 LEU QD2 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat=1453, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1521,1522,1523,
&end
#
# 94 VAL HB 95 ARG+ HN 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat=1455,1467, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 94 VAL HN 94 VAL HB 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat=1451,1455, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 94 VAL HN 94 VAL QG1 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=1451, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1457,1458,1459,
&end
#
# 94 VAL HN 94 VAL QG2 1.80 2.97
&rst
ixpk= 0, nxpk= 0, iat=1451, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2=1461,1462,1463,
&end
#
# 94 VAL HN 97 LEU QD1 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat=1451, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1517,1518,1519,
&end
#
# 94 VAL QG1 103 ILE QD1 1.80 2.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1=1457,1458,1459,
igr2=1620,1621,1622,
&end
#
# 94 VAL QG1 103 ILE QG2 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1457,1458,1459,
igr2=1613,1614,1615,
&end
#
# 94 VAL QG1 95 ARG+ HA 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1469, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1457,1458,1459,
&end
#
# 94 VAL QG1 95 ARG+ HN 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1467, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1457,1458,1459,
&end
#
# 94 VAL QG1 95 ARG+ QG 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1457,1458,1459,
igr2=1474,1475,
&end
#
# 94 VAL QG1 97 LEU HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1508, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1457,1458,1459,
&end
#
# 94 VAL QG2 97 LEU QD1 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1461,1462,1463,
igr2=1517,1518,1519,
&end
#
# 95 ARG+ HA 95 ARG+ HG2 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat=1469,1474, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 95 ARG+ HA 95 ARG+ HG3 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat=1469,1475, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 95 ARG+ HA 95 ARG+ QG 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1474,1475,
&end
#
# 95 ARG+ HA 98 TYR HB2 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat=1469,1531, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 95 ARG+ HA 98 TYR HB3 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat=1469,1532, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 95 ARG+ HA 98 TYR HN 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat=1469,1527, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 95 ARG+ HA 98 TYR QD 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1535,1544,
&end
#
# 95 ARG+ HB2 96 GLN HN 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat=1471,1491, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 95 ARG+ HG2 95 ARG+ QH1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1483,1484,
&end
#
# 95 ARG+ HG2 95 ARG+ QH2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1486,1487,
&end
#
# 95 ARG+ HG3 95 ARG+ QH1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1475, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1483,1484,
&end
#
# 95 ARG+ HG3 95 ARG+ QH2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1475, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1486,1487,
&end
#
# 95 ARG+ HN 95 ARG+ HB2 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat=1467,1471, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 95 ARG+ HN 95 ARG+ HD2 1.80 5.32
&rst
ixpk= 0, nxpk= 0, iat=1467,1477, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 95 ARG+ HN 95 ARG+ HD3 1.80 5.32
&rst
ixpk= 0, nxpk= 0, iat=1467,1478, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 95 ARG+ HN 95 ARG+ QD 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1477,1478,
&end
#
# 95 ARG+ HN 95 ARG+ QG 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1474,1475,
&end
#
# 95 ARG+ HN 96 GLN HN 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat=1467,1491, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 95 ARG+ QG 95 ARG+ QH1 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1474,1475,
igr2=1483,1484,
&end
#
# 96 GLN HA 100 LEU QQD 1.80 5.44
&rst
ixpk= 0, nxpk= 0, iat=1493, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2=1574,1575,1576,1578,1579,1580,
&end
#
# 96 GLN HA 96 GLN HE21 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1493,1503, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 GLN HA 96 GLN HG2 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat=1493,1498, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 96 GLN HA 96 GLN HG3 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat=1493,1499, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 96 GLN HA 96 GLN QG 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat=1493, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2=1498,1499,
&end
#
# 96 GLN HA 99 HIS HB2 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat=1493,1552, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 96 GLN HA 99 HIS HB3 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat=1493,1553, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 96 GLN HA 99 HIS HD2 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat=1493,1561, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 96 GLN HA 99 HIS HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat=1493,1548, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 96 GLN HA 99 HIS QB 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat=1493, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2=1552,1553,
&end
#
# 96 GLN HB2 96 GLN HE21 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat=1495,1503, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 96 GLN HB2 97 LEU HN 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat=1495,1508, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 96 GLN HB3 96 GLN HE21 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat=1496,1503, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 96 GLN HB3 97 LEU HN 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat=1496,1508, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 96 GLN HN 96 GLN HB2 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat=1491,1495, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 96 GLN HN 96 GLN HB3 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat=1491,1496, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 96 GLN HN 96 GLN HG2 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat=1491,1498, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 96 GLN HN 96 GLN HG3 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat=1491,1499, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 96 GLN HN 97 LEU HN 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat=1491,1508, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 96 GLN QB 100 LEU QQD 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1495,1496,
igr2=1574,1575,1576,1578,1579,1580,
&end
#
# 96 GLN QB 97 LEU HN 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1508, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1=1495,1496,
&end
#
# 96 GLN QB 99 HIS HD2 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1561, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1495,1496,
&end
#
# 97 LEU HA 100 LEU HB2 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat=1510,1569, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 97 LEU HA 100 LEU HB3 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat=1510,1570, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 97 LEU HA 100 LEU HG 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat=1510,1572, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 97 LEU HA 100 LEU HN 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat=1510,1565, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 97 LEU HA 100 LEU QB 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat=1510, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1569,1570,
&end
#
# 97 LEU HA 100 LEU QQD 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat=1510, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1574,1575,1576,1578,1579,1580,
&end
#
# 97 LEU HA 102 VAL HB 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat=1510,1595, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 97 LEU HA 102 VAL QG2 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat=1510, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1601,1602,1603,
&end
#
# 97 LEU HA 103 ILE QG2 1.80 5.39
&rst
ixpk= 0, nxpk= 0, iat=1510, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=1613,1614,1615,
&end
#
# 97 LEU HA 97 LEU HG 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat=1510,1515, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 97 LEU HA 97 LEU QD2 1.80 2.94
&rst
ixpk= 0, nxpk= 0, iat=1510, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1521,1522,1523,
&end
#
# 97 LEU HB2 97 LEU QD1 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat=1512, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1517,1518,1519,
&end
#
# 97 LEU HB2 97 LEU QD2 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat=1512, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1521,1522,1523,
&end
#
# 97 LEU HB2 98 TYR HN 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat=1512,1527, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 97 LEU HB3 97 LEU QD1 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1517,1518,1519,
&end
#
# 97 LEU HB3 97 LEU QD2 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1521,1522,1523,
&end
#
# 97 LEU HB3 98 TYR HN 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat=1513,1527, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 97 LEU HN 100 LEU QQD 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat=1508, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr2=1574,1575,1576,1578,1579,1580,
&end
#
# 97 LEU HN 103 ILE QD1 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat=1508, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1620,1621,1622,
&end
#
# 97 LEU HN 103 ILE QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1508, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1613,1614,1615,
&end
#
# 97 LEU HN 97 LEU HB2 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat=1508,1512, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 97 LEU HN 97 LEU HB3 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat=1508,1513, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 97 LEU HN 97 LEU HG 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat=1508,1515, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 97 LEU HN 97 LEU QB 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat=1508, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1512,1513,
&end
#
# 97 LEU HN 97 LEU QD1 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat=1508, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1517,1518,1519,
&end
#
# 97 LEU HN 98 TYR HN 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat=1508,1527, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 97 LEU QB 102 VAL HB 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1595, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1512,1513,
&end
#
# 97 LEU QB 103 ILE HN 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1607, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1512,1513,
&end
#
# 97 LEU QB 103 ILE QD1 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1512,1513,
igr2=1620,1621,1622,
&end
#
# 97 LEU QB 103 ILE QG1 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=1512,1513,
igr2=1617,1618,
&end
#
# 97 LEU QB 97 LEU QD1 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1512,1513,
igr2=1517,1518,1519,
&end
#
# 97 LEU QB 97 LEU QD2 1.80 2.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1=1512,1513,
igr2=1521,1522,1523,
&end
#
# 97 LEU QB 98 TYR HN 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1527, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1=1512,1513,
&end
#
# 97 LEU QB 99 HIS HN 1.80 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1512,1513,
&end
#
# 97 LEU QD1 102 VAL HB 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1,1595, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1517,1518,1519,
&end
#
# 97 LEU QD1 102 VAL QG1 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1517,1518,1519,
igr2=1597,1598,1599,
&end
#
# 97 LEU QD1 102 VAL QG2 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=1517,1518,1519,
igr2=1601,1602,1603,
&end
#
# 97 LEU QD1 103 ILE QD1 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1517,1518,1519,
igr2=1620,1621,1622,
&end
#
# 97 LEU QD1 103 ILE QG1 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=1517,1518,1519,
igr2=1617,1618,
&end
#
# 97 LEU QD1 103 ILE 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=1517,1518,1519,
igr2=1613,1614,1615,
&end
#
# 97 LEU QD1 98 TYR HN 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1527, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1517,1518,1519,
&end
#
# 97 LEU QD2 100 LEU QB 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1=1521,1522,1523,
igr2=1569,1570,
&end
#
# 97 LEU QD2 102 VAL HB 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1595, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1521,1522,1523,
&end
#
# 97 LEU QD2 102 VAL HN 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1591, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1521,1522,1523,
&end
#
# 97 LEU QD2 102 VAL QG1 1.80 2.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1521,1522,1523,
igr2=1597,1598,1599,
&end
#
# 97 LEU QD2 102 VAL QG2 1.80 2.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1521,1522,1523,
igr2=1601,1602,1603,
&end
#
# 97 LEU QD2 103 ILE HN 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1607, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1521,1522,1523,
&end
#
# 97 LEU QD2 98 TYR HN 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1527, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1521,1522,1523,
&end
#
# 98 TYR HA 101 GLY HN 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat=1529,1584, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 98 TYR HA 102 VAL HN 1.80 5.20
&rst
ixpk= 0, nxpk= 0, iat=1529,1591, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 98 TYR HA 103 ILE HG12 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat=1529,1617, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 98 TYR HA 103 ILE HG13 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat=1529,1618, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 98 TYR HA 103 ILE HN 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat=1529,1607, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 98 TYR HA 103 ILE QD1 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat=1529, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1620,1621,1622,
&end
#
# 98 TYR HB2 103 ILE HN 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat=1531,1607, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 98 TYR HB2 103 ILE QD1 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat=1531, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1620,1621,1622,
&end
#
# 98 TYR HB2 103 ILE QG2 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat=1531, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1613,1614,1615,
&end
#
# 98 TYR HB2 99 HIS HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat=1531,1548, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 98 TYR HB3 103 ILE QD1 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat=1532, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1620,1621,1622,
&end
#
# 98 TYR HB3 99 HIS HN 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1532,1548, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 98 TYR HN 102 VAL HN 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat=1527,1591, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 98 TYR HN 103 ILE HB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1527,1611, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 TYR HN 103 ILE HG12 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat=1527,1617, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 98 TYR HN 103 ILE HG13 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat=1527,1618, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 98 TYR HN 103 ILE HN 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat=1527,1607, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 98 TYR HN 103 ILE QD1 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat=1527, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1620,1621,1622,
&end
#
# 98 TYR HN 103 ILE QG2 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat=1527, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1613,1614,1615,
&end
#
# 98 TYR HN 98 TYR HB2 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat=1527,1531, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 98 TYR HN 98 TYR HB3 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat=1527,1532, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 98 TYR QD 105 ALA HA 1.80 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1643, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1535,1544,
&end
#
# 98 TYR QD 105 ALA QB 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1=1535,1544,
igr2=1645,1646,1647,
&end
#
# 98 TYR QE 105 ALA HA 1.80 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1643, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1537,1542,
&end
#
# 99 HIS HA 101 GLY HN 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat=1550,1584, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 99 HIS HB2 100 LEU HG 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1552,1572, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 HIS HB2 100 LEU HN 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat=1552,1565, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 99 HIS HB2 101 GLY HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1552,1584, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 HIS HB3 100 LEU HG 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1553,1572, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 HIS HB3 100 LEU HN 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat=1553,1565, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 99 HIS HB3 101 GLY HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1553,1584, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 HIS HN 100 LEU HN 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat=1548,1565, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 99 HIS HN 101 GLY HN 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat=1548,1584, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 99 HIS HN 99 HIS HB2 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat=1548,1552, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 99 HIS HN 99 HIS HB3 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat=1548,1553, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 99 HIS HN 99 HIS HD2 1.80 5.25
&rst
ixpk= 0, nxpk= 0, iat=1548,1561, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 99 HIS HN 99 HIS QB 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat=1548, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2=1552,1553,
&end
#
# 99 HIS QB 100 LEU HN 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1565, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1552,1553,
&end
#
# 99 HIS QB 100 LEU QQD 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1=1552,1553,
igr2=1574,1575,1576,1578,1579,1580,
&end
#
# 100 LEU HA 100 LEU HG 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat=1567,1572, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 100 LEU HA 100 LEU QD1 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1567, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1574,1575,1576,
&end
#
# 100 LEU HA 100 LEU QD2 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1567, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1578,1579,1580,
&end
#
# 100 LEU HA 100 LEU QQD 1.80 2.64
&rst
ixpk= 0, nxpk= 0, iat=1567, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2=1574,1575,1576,1578,1579,1580,
&end
#
# 100 LEU HB2 101 GLY HN 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat=1569,1584, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 100 LEU HB2 102 VAL QG2 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat=1569, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1601,1602,1603,
&end
#
# 100 LEU HB3 101 GLY HN 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat=1570,1584, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 100 LEU HB3 102 VAL QG2 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat=1570, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1601,1602,1603,
&end
#
# 100 LEU HN 100 LEU HB2 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat=1565,1569, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 100 LEU HN 100 LEU HB3 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat=1565,1570, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 100 LEU HN 100 LEU HG 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1565,1572, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 100 LEU HN 100 LEU QD1 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=1565, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1574,1575,1576,
&end
#
# 100 LEU HN 100 LEU QD2 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=1565, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1578,1579,1580,
&end
#
# 100 LEU HN 101 GLY HN 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat=1565,1584, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 100 LEU QB 100 LEU QQD 1.80 2.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1=1569,1570,
igr2=1574,1575,1576,1578,1579,1580,
&end
#
# 100 LEU QB 101 GLY HN 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1584, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1569,1570,
&end
#
# 100 LEU QB 102 VAL HN 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1591, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1569,1570,
&end
#
# 101 GLY HN 102 VAL HN 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat=1584,1591, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 101 GLY HN 102 VAL QG2 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat=1584, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1601,1602,1603,
&end
#
# 101 GLY HN 103 ILE HN 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat=1584,1607, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 101 GLY QA 103 ILE HN 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1607, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1586,1587,
&end
#
# 102 VAL HA 102 VAL QG1 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat=1593, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2=1597,1598,1599,
&end
#
# 102 VAL HA 102 VAL QG2 1.80 2.88
&rst
ixpk= 0, nxpk= 0, iat=1593, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2=1601,1602,1603,
&end
#
# 102 VAL HB 103 ILE HN 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat=1595,1607, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 102 VAL HB 103 ILE QD1 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat=1595, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1620,1621,1622,
&end
#
# 102 VAL HB 103 ILE QG2 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat=1595, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1613,1614,1615,
&end
#
# 102 VAL HN 102 VAL HB 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat=1591,1595, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 102 VAL HN 102 VAL QG1 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1597,1598,1599,
&end
#
# 102 VAL HN 102 VAL QG2 1.80 2.96
&rst
ixpk= 0, nxpk= 0, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2=1601,1602,1603,
&end
#
# 102 VAL HN 103 ILE HN 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat=1591,1607, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 102 VAL HN 103 ILE QD1 1.80 5.44
&rst
ixpk= 0, nxpk= 0, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2=1620,1621,1622,
&end
#
# 102 VAL HN 103 ILE QG2 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1613,1614,1615,
&end
#
# 102 VAL QG2 103 ILE HN 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1607, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1601,1602,1603,
&end
#
# 103 ILE HA 103 ILE QD1 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat=1609, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1620,1621,1622,
&end
#
# 103 ILE HA 103 ILE QG2 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat=1609, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=1613,1614,1615,
&end
#
# 103 ILE HA 104 GLU- HN 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat=1609,1626, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 103 ILE HB 103 ILE QD1 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat=1611, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1620,1621,1622,
&end
#
# 103 ILE HB 104 GLU- HN 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat=1611,1626, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 103 ILE HN 103 ILE HB 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat=1607,1611, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 103 ILE HN 103 ILE HG12 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=1607,1617, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 103 ILE HN 103 ILE HG13 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=1607,1618, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 103 ILE HN 103 ILE QD1 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat=1607, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1620,1621,1622,
&end
#
# 103 ILE HN 103 ILE QG1 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat=1607, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1617,1618,
&end
#
# 103 ILE HN 103 ILE QG2 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat=1607, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1613,1614,1615,
&end
#
# 103 ILE HN 104 GLU- HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat=1607,1626, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 103 ILE QD1 104 GLU- HN 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1626, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1620,1621,1622,
&end
#
# 103 ILE QG2 103 ILE HG12 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1617, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1613,1614,1615,
&end
#
# 103 ILE QG2 103 ILE HG13 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1618, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1613,1614,1615,
&end
#
# 103 ILE QG2 103 ILE QD1 1.80 2.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1=1613,1614,1615,
igr2=1620,1621,1622,
&end
#
# 103 ILE QG2 104 GLU- HN 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1626, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1613,1614,1615,
&end
#
# 104 GLU- HA 104 GLU- QG 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat=1628, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1633,1634,
&end
#
# 104 GLU- HA 105 ALA HN 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat=1628,1641, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 104 GLU- HA 105 ALA QB 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat=1628, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1645,1646,1647,
&end
#
# 104 GLU- HB2 105 ALA HN 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1630,1641, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 104 GLU- HB3 105 ALA HN 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1631,1641, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 104 GLU- HN 104 GLU- HB2 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat=1626,1630, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 104 GLU- HN 104 GLU- HB3 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat=1626,1631, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 104 GLU- HN 104 GLU- QB 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat=1626, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1630,1631,
&end
#
# 104 GLU- HN 104 GLU- QG 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat=1626, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1633,1634,
&end
#
# 104 GLU HN 105 ALA HN 4.00 100.0
&rst
ixpk= 0, nxpk= 0, iat=1626,1641, r1= 3.50, r2= 4.00, r3=100.00, r4=100.50, &end
#
# 104 GLU- QB 105 ALA HN 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1641, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr1=1630,1631,
&end
#
# 104 GLU- QG 105 ALA HN 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1641, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=1633,1634,
&end
#
# 104 GLU- QG 105 ALA QB 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=1633,1634,
igr2=1645,1646,1647,
&end
#
# 104 GLU- QG 106 TYR HA 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1653, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=1633,1634,
&end
#
# 105 ALA HA 106 TYR HA 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat=1643,1653, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 105 ALA HA 106 TYR HB2 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat=1643,1655, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 105 ALA HA 106 TYR HB3 1.80 5.18
&rst
ixpk= 0, nxpk= 0, iat=1643,1656, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 105 ALA HA 106 TYR HN 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat=1643,1651, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 105 ALA HN 105 ALA QB 1.80 2.82
&rst
ixpk= 0, nxpk= 0, iat=1641, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2=1645,1646,1647,
&end
#
# 105 ALA QB 106 TYR HA 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1653, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1645,1646,1647,
&end
#
# 105 ALA QB 106 TYR HB2 1.80 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1655, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=1645,1646,1647,
&end
#
# 105 ALA QB 106 TYR HN 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1651, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1=1645,1646,1647,
&end
#
# 106 TYR HA 106 TYR QD 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat=1653, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=1659,1668,
&end
#
# 106 TYR HA 106 TYR QE 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat=1653, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1661,1666,
&end
#
# 106 TYR HA 107 SER HA 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat=1653,1674, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 106 TYR HA 107 SER HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat=1653,1672, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 106 TYR HB2 107 SER HN 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat=1655,1672, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 106 TYR HB3 107 SER HN 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat=1656,1672, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 106 TYR HN 106 TYR HB2 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat=1651,1655, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 106 TYR HN 106 TYR HB3 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat=1651,1656, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 106 TYR HN 106 TYR QD 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat=1651, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1659,1668,
&end
#
# 106 TYR HN 107 SER HN 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat=1651,1672, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 106 TYR QD 107 SER HA 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1674, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1659,1668,
&end
#
# 106 TYR QD 107 SER HB2 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1676, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1659,1668,
&end
#
# 106 TYR QD 107 SER HB3 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1677, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1659,1668,
&end
#
# 106 TYR QD 107 SER HN 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1672, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr1=1659,1668,
&end
#
# 106 TYR QD 107 SER QB 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=1659,1668,
igr2=1676,1677,
&end
#
# 106 TYR QD 108 SER HA 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1685, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1659,1668,
&end
#
# 106 TYR QD 108 SER HB2 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1687, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1659,1668,
&end
#
# 106 TYR QD 108 SER HB3 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1659,1668,
&end
#
# 106 TYR QD 108 SER QB 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1659,1668,
igr2=1687,1688,
&end
#
# 106 TYR QE 107 SER HB2 1.80 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1676, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1661,1666,
&end
#
# 106 TYR QE 107 SER HB3 1.80 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1677, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1661,1666,
&end
#
# 106 TYR QE 107 SER HN 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1672, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1661,1666,
&end
#
# 106 TYR QE 107 SER QB 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=1661,1666,
igr2=1676,1677,
&end
#
# 106 TYR QE 108 SER HA 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1685, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1661,1666,
&end
#
# 106 TYR QE 108 SER HB2 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1687, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1661,1666,
&end
#
# 106 TYR QE 108 SER HB3 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1661,1666,
&end
#
# 106 TYR QE 108 SER QB 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1661,1666,
igr2=1687,1688,
&end
#
# 107 SER HN 107 SER HB2 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat=1672,1676, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 107 SER HN 107 SER HB3 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat=1672,1677, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 107 SER HN 107 SER QB 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat=1672, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2=1676,1677,
&end
#
# 107 SER HN 108 SER HN 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat=1672,1683, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 107 SER QB 108 SER HN 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1683, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1=1676,1677,
&end
#
# 108 SER HA 109 GLY HN 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat=1685,1694, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 108 SER HN 108 SER HB2 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat=1683,1687, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 108 SER HN 108 SER HB3 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat=1683,1688, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 108 SER HN 108 SER QB 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat=1683, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=1687,1688,
&end
#
# 108 SER QB 109 GLY HN 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1694, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1=1687,1688,
&end
#
# 109 GLY HA2 110 PRO QD 1.80 3.01
&rst
ixpk= 0, nxpk= 0, iat=1696, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr2=1702,1703,
&end
#
# 109 GLY HA3 110 PRO QD 1.80 3.01
&rst
ixpk= 0, nxpk= 0, iat=1697, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr2=1702,1703,
&end
#
# 109 GLY HN 110 PRO QD 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat=1694, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1702,1703,
&end
#
# 110 PRO HA 111 SER HN 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat=1711,1715, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 110 PRO QB 111 SER HN 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1715, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1708,1709,
&end
#
# 111 SER QB 112 SER HN 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1719,1720,
&end
#
# 112 SER HN 113 GLY HN 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat=1726,1737, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
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