NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
515098 |
2ld4   |
17646 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 16 TRP HE1 46 ASN HD21 5.50 (#SUP 5.64)
&rst
ixpk= 5, nxpk= 0, iat= 222, 677, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
&end
#
# 16 TRP HE1 46 ASN HB3 5.15 (#SUP 6.02)
&rst
ixpk= 6, nxpk= 0, iat= 222, 673, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 16 TRP HE1 44 VAL QG2 3.75 (#SUP 5.24)
&rst
ixpk= 5, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 647, 648, 649,
&end
#
# 16 TRP HE1 25 LEU QD2 5.03 (#SUP 7.17)
&rst
ixpk= 7, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 360, 361, 362,
&end
#
# 46 ASN HA 47 ILE HN 3.43 (#SUP 6.92)
&rst
ixpk= 6, nxpk= 0, iat= 670, 682, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 47 ILE HN 50 LEU HN 5.50 (#SUP 4.33)
&rst
ixpk= 4, nxpk= 0, iat= 682, 740, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 ASN HB3 47 ILE HN 5.36 (#SUP 8.00)
&rst
ixpk= 8, nxpk= 0, iat= 673, 682, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 16 TRP HN 46 ASN HA 3.99 (#SUP 5.47)
&rst
ixpk= 5, nxpk= 0, iat= 212, 670, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 15 VAL QG2 16 TRP HN 4.70 (#SUP 6.51)
&rst
ixpk= 6, nxpk= 0, iat= -1, 212, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 206, 207, 208,
&end
#
# 172 ARG HN 172 ARG QG 5.50 (#SUP 3.53)
&rst
ixpk= 3, nxpk= 0, iat=2615, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2622,2623,
&end
#
# 15 VAL HB 16 TRP HN 5.50 (#SUP 6.51)
&rst
ixpk= 6, nxpk= 0, iat= 200, 212, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 GLU HN 98 PRO HD3 4.86 (#SUP 5.72)
&rst
ixpk= 5, nxpk= 0, iat=1463,1480, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 97 GLU HN 97 GLU QG 5.31 (#SUP 6.34)
&rst
ixpk= 6, nxpk= 0, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1470,1471,
&end
#
# 97 GLU HN 97 GLU HB2 4.13 (#SUP 4.69)
&rst
ixpk= 4, nxpk= 0, iat=1463,1467, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 96 LYS QG 97 GLU HN 4.62 (#SUP 3.62)
&rst
ixpk= 3, nxpk= 0, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1448,1449,
&end
#
# 97 GLU HN 97 GLU HB3 4.16 (#SUP 6.27)
&rst
ixpk= 6, nxpk= 0, iat=1463,1468, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 97 GLU HN 157 VAL QG2 4.32 (#SUP 2.66)
&rst
ixpk= 2, nxpk= 0, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=2400,2401,2402,
&end
#
# 85 ARG HA 87 LEU HN 5.50 (#SUP 5.28)
&rst
ixpk= 5, nxpk= 0, iat=1260,1301, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 ALA HA 87 LEU HN 4.10 (#SUP 6.61)
&rst
ixpk= 6, nxpk= 0, iat=1250,1301, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 83 ILE HA 87 LEU HN 5.46 (#SUP 4.97)
&rst
ixpk= 4, nxpk= 0, iat=1231,1301, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 86 ILE HB 87 LEU HN 5.45 (#SUP 8.30)
&rst
ixpk= 8, nxpk= 0, iat=1286,1301, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 87 LEU HN 87 LEU HB2 3.23 (#SUP 7.33)
&rst
ixpk= 7, nxpk= 0, iat=1301,1305, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 85 ARG HD3 87 LEU HN 5.50 (#SUP 4.99)
&rst
ixpk= 4, nxpk= 0, iat=1269,1301, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 VAL HN 45 GLU HN 5.37 (#SUP 8.16)
&rst
ixpk= 8, nxpk= 0, iat= 637, 653, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 97 GLU HN 159 ILE HN 4.48 (#SUP 4.23)
&rst
ixpk= 4, nxpk= 0, iat=1463,2423, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 131 GLN HN 159 ILE HN 5.50 (#SUP 7.46)
&rst
ixpk= 7, nxpk= 0, iat=1974,2423, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 158 GLN HG3 159 ILE HN 4.40 (#SUP 9.36)
&rst
ixpk= 9, nxpk= 0, iat=2414,2423, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 159 ILE HN 159 ILE HG13 4.27 (#SUP 8.59)
&rst
ixpk= 8, nxpk= 0, iat=2423,2434, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 11 PHE HB3 12 VAL HN 4.80 (#SUP 6.70)
&rst
ixpk= 6, nxpk= 0, iat= 139, 154, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 12 VAL HN 41 ARG QB 4.44 (#SUP 6.72)
&rst
ixpk= 6, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 590, 591,
&end
#
# 12 VAL HN 12 VAL QG1 4.41 (#SUP 7.37)
&rst
ixpk= 7, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 160, 161, 162,
&end
#
# 72 THR QG2 73 THR HN 5.38 (#SUP 4.82)
&rst
ixpk= 4, nxpk= 0, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1=1072,1073,1074,
&end
#
# 73 THR HN 74 LEU QD1 5.50 (#SUP 3.67)
&rst
ixpk= 3, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1103,1104,1105,
&end
#
# 44 VAL HN 44 VAL QG1 3.61 (#SUP 6.72)
&rst
ixpk= 6, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 643, 644, 645,
&end
#
# 12 VAL HN 13 ALA HN 4.92 (#SUP 5.30)
&rst
ixpk= 5, nxpk= 0, iat= 154, 170, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 45 GLU HN 46 ASN HA 5.28 (#SUP 5.90)
&rst
ixpk= 5, nxpk= 0, iat= 653, 670, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 45 GLU HN 45 GLU HB2 4.01 (#SUP 7.06)
&rst
ixpk= 7, nxpk= 0, iat= 653, 657, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 15 VAL QG2 45 GLU HN 4.79 (#SUP 6.94)
&rst
ixpk= 6, nxpk= 0, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 206, 207, 208,
&end
#
# 64 LEU HN 65 SER HA 5.36 (#SUP 7.90)
&rst
ixpk= 7, nxpk= 0, iat= 962, 983, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 15 VAL QG2 64 LEU HN 4.16 (#SUP 5.71)
&rst
ixpk= 5, nxpk= 0, iat= -1, 962, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 206, 207, 208,
&end
#
# 64 LEU HN 64 LEU QD2 4.03 (#SUP 8.57)
&rst
ixpk= 8, nxpk= 0, iat= 962, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 975, 976, 977,
&end
#
# 91 GLY HN 163 LYS HN 4.74 (#SUP 7.60)
&rst
ixpk= 7, nxpk= 0, iat=1365,2485, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 163 LYS HN 163 LYS HB3 3.77 (#SUP 5.66)
&rst
ixpk= 5, nxpk= 0, iat=2485,2490, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 87 LEU QD2 163 LYS HN 4.76 (#SUP 1.40)
&rst
ixpk= 1, nxpk= 0, iat= -1,2485, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1314,1315,1316,
&end
#
# 13 ALA HN 64 LEU HN 4.85 (#SUP 8.36)
&rst
ixpk= 8, nxpk= 0, iat= 170, 962, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 12 VAL QG1 13 ALA HN 4.08 (#SUP 5.99)
&rst
ixpk= 5, nxpk= 0, iat= -1, 170, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 160, 161, 162,
&end
#
# 16 TRP HN 45 GLU HN 4.90 (#SUP 4.49)
&rst
ixpk= 4, nxpk= 0, iat= 212, 653, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 14 VAL HA 64 LEU HN 4.31 (#SUP 8.17)
&rst
ixpk= 8, nxpk= 0, iat= 182, 962, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 102 ALA HN 153 ASN HB2 4.44 (#SUP 3.43)
&rst
ixpk= 3, nxpk= 0, iat=1537,2322, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 102 ALA HN 153 ASN HB3 4.48 (#SUP 4.68)
&rst
ixpk= 4, nxpk= 0, iat=1537,2323, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 100 GLU HB3 102 ALA HN 4.48 (#SUP 5.35)
&rst
ixpk= 5, nxpk= 0, iat=1513,1537, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 14 VAL HN 43 SER HN 4.27 (#SUP 3.90)
&rst
ixpk= 3, nxpk= 0, iat= 180, 626, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 42 VAL HB 43 SER HN 4.61 (#SUP 6.46)
&rst
ixpk= 6, nxpk= 0, iat= 614, 626, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 46 ASN HN 46 ASN HB3 3.49 (#SUP 5.36)
&rst
ixpk= 5, nxpk= 0, iat= 668, 673, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 63 ILE HN 92 CYS HN 4.96 (#SUP 3.43)
&rst
ixpk= 3, nxpk= 0, iat= 943,1372, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 149 HID HN 150 GLU HN 4.70 (#SUP 5.88)
&rst
ixpk= 5, nxpk= 0, iat=2263,2280, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 149 HID HA 150 GLU HN 2.92 (#SUP 6.95)
&rst
ixpk= 6, nxpk= 0, iat=2265,2280, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 150 GLU HN 150 GLU HG2 4.67 (#SUP 4.90)
&rst
ixpk= 4, nxpk= 0, iat=2280,2287, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 143 VAL QG2 150 GLU HN 5.50 (#SUP 3.50)
&rst
ixpk= 3, nxpk= 0, iat= -1,2280, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2175,2176,2177,
&end
#
# 129 GLU HB2 130 LEU HN 4.07 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat=1944,1955, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 130 LEU HN 130 LEU HB2 3.74 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat=1955,1959, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 128 LYS HG2 130 LEU HN 5.50 (#SUP 5.00)
&rst
ixpk= 5, nxpk= 0, iat=1925,1955, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 LEU HN 160 THR QG2 4.91 (#SUP 5.79)
&rst
ixpk= 5, nxpk= 0, iat=1955, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=2448,2449,2450,
&end
#
# 64 LEU HA 94 PHE HN 4.33 (#SUP 7.63)
&rst
ixpk= 7, nxpk= 0, iat= 964,1402, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 63 ILE HB 94 PHE HN 4.48 (#SUP 5.41)
&rst
ixpk= 5, nxpk= 0, iat= 947,1402, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 62 ILE QG2 94 PHE HN 4.55 (#SUP 4.20)
&rst
ixpk= 4, nxpk= 0, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 930, 931, 932,
&end
#
# 120 THR HB 121 LEU HN 3.34 (#SUP 6.61)
&rst
ixpk= 6, nxpk= 0, iat=1805,1815, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 121 LEU HN 121 LEU HG 3.29 (#SUP 8.94)
&rst
ixpk= 8, nxpk= 0, iat=1815,1822, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 45 GLU HB3 46 ASN HN 4.32 (#SUP 5.35)
&rst
ixpk= 5, nxpk= 0, iat= 658, 668, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 121 LEU HN 121 LEU QD2 4.10 (#SUP 9.05)
&rst
ixpk= 9, nxpk= 0, iat=1815, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1828,1829,1830,
&end
#
# 63 ILE HN 93 LEU HA 4.43 (#SUP 6.66)
&rst
ixpk= 6, nxpk= 0, iat= 943,1385, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 63 ILE HN 93 LEU HB2 4.25 (#SUP 2.19)
&rst
ixpk= 2, nxpk= 0, iat= 943,1387, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 63 ILE HN 63 ILE QG2 4.08 (#SUP 7.34)
&rst
ixpk= 7, nxpk= 0, iat= 943, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 949, 950, 951,
&end
#
# 63 ILE HN 63 ILE HG13 4.98 (#SUP 7.00)
&rst
ixpk= 7, nxpk= 0, iat= 943, 954, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 66 GLY HA3 96 LYS HN 4.58 (#SUP 1.95)
&rst
ixpk= 1, nxpk= 0, iat= 995,1441, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 42 VAL HN 42 VAL QG1 4.06 (#SUP 8.51)
&rst
ixpk= 8, nxpk= 0, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 616, 617, 618,
&end
#
# 117 SER HB3 118 ALA HN 3.34 (#SUP 4.58)
&rst
ixpk= 4, nxpk= 0, iat=1766,1772, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 116 CYS HB2 118 ALA HN 4.95 (#SUP 6.33)
&rst
ixpk= 6, nxpk= 0, iat=1754,1772, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 151 SER HB2 152 ASP HN 4.33 (#SUP 4.64)
&rst
ixpk= 4, nxpk= 0, iat=2299,2306, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 151 SER HB3 152 ASP HN 4.86 (#SUP 5.93)
&rst
ixpk= 5, nxpk= 0, iat=2300,2306, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 152 ASP HN 152 ASP HB2 4.11 (#SUP 5.37)
&rst
ixpk= 5, nxpk= 0, iat=2306,2310, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 56 LYS HB2 57 GLU HN 3.50 (#SUP 6.74)
&rst
ixpk= 6, nxpk= 0, iat= 837, 855, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 95 LEU HN 161 GLY HN 5.50 (#SUP 2.96)
&rst
ixpk= 2, nxpk= 0, iat=1422,2456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 LEU HN 158 GLN HA 5.00 (#SUP 3.70)
&rst
ixpk= 3, nxpk= 0, iat=1422,2408, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 95 LEU HN 95 LEU HG 3.79 (#SUP 8.73)
&rst
ixpk= 8, nxpk= 0, iat=1422,1429, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 93 LEU QD1 95 LEU HN 4.65 (#SUP 8.67)
&rst
ixpk= 8, nxpk= 0, iat= -1,1422, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1392,1393,1394,
&end
#
# 152 ASP HN 154 LEU HN 4.93 (#SUP 4.03)
&rst
ixpk= 4, nxpk= 0, iat=2306,2332, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 57 GLU HN 59 SER HB3 4.84 (#SUP 3.23)
&rst
ixpk= 3, nxpk= 0, iat= 855, 886, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 57 GLU HN 57 GLU HG2 4.61 (#SUP 5.92)
&rst
ixpk= 5, nxpk= 0, iat= 855, 862, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 57 GLU HN 57 GLU HB3 3.29 (#SUP 5.66)
&rst
ixpk= 5, nxpk= 0, iat= 855, 860, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 135 LEU HN 156 PHE HN 4.92 (#SUP 7.68)
&rst
ixpk= 7, nxpk= 0, iat=2044,2370, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 135 LEU HN 155 LEU QD2 4.74 (#SUP 5.94)
&rst
ixpk= 5, nxpk= 0, iat=2044, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=2364,2365,2366,
&end
#
# 135 LEU HN 135 LEU HG 4.60 (#SUP 7.58)
&rst
ixpk= 7, nxpk= 0, iat=2044,2051, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 158 GLN HN 158 GLN HB3 3.57 (#SUP 7.91)
&rst
ixpk= 7, nxpk= 0, iat=2406,2411, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 93 LEU HN 93 LEU QD1 4.69 (#SUP 6.80)
&rst
ixpk= 6, nxpk= 0, iat=1383, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1392,1393,1394,
&end
#
# 100 GLU HN 112 ALA HN 4.87 (#SUP 4.85)
&rst
ixpk= 4, nxpk= 0, iat=1508,1688, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 99 VAL QG1 112 ALA HN 4.26 (#SUP 7.56)
&rst
ixpk= 7, nxpk= 0, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1498,1499,1500,
&end
#
# 112 ALA HN 114 LYS HN 5.43 (#SUP 5.85)
&rst
ixpk= 5, nxpk= 0, iat=1688,1709, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 93 LEU HN 161 GLY HA2 5.50 (#SUP 4.52)
&rst
ixpk= 4, nxpk= 0, iat=1383,2458, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 LEU HN 161 GLY HA3 5.26 (#SUP 3.37)
&rst
ixpk= 3, nxpk= 0, iat=1383,2459, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 93 LEU HN 94 PHE HN 5.07 (#SUP 6.83)
&rst
ixpk= 6, nxpk= 0, iat=1383,1402, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 103 VAL HA 104 ASP HN 2.86 (#SUP 5.95)
&rst
ixpk= 5, nxpk= 0, iat=1549,1563, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 104 ASP HN 104 ASP HB3 3.26 (#SUP 4.53)
&rst
ixpk= 4, nxpk= 0, iat=1563,1568, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 110 LYS QD 115 LEU HN 4.54 (#SUP 3.63)
&rst
ixpk= 3, nxpk= 0, iat= -1,1731, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1662,1663,
&end
#
# 115 LEU HN 115 LEU HB3 3.41 (#SUP 7.91)
&rst
ixpk= 7, nxpk= 0, iat=1731,1736, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 111 THR HN 115 LEU HN 4.71 (#SUP 8.18)
&rst
ixpk= 8, nxpk= 0, iat=1674,1731, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 115 LEU HN 115 LEU HB2 3.32 (#SUP 8.46)
&rst
ixpk= 8, nxpk= 0, iat=1731,1735, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 139 GLU HN 140 VAL HA 5.18 (#SUP 6.08)
&rst
ixpk= 6, nxpk= 0, iat=2106,2123, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 139 GLU HN 140 VAL QG1 4.94 (#SUP 5.92)
&rst
ixpk= 5, nxpk= 0, iat=2106, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=2127,2128,2129,
&end
#
# 139 GLU HN 156 PHE QE 5.50 (#SUP 3.00)
&rst
ixpk= 3, nxpk= 0, iat=2106, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2380,2384,
&end
#
# 75 HID HN 76 SER HN 4.97 (#SUP 5.96)
&rst
ixpk= 5, nxpk= 0, iat=1113,1130, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 75 HID HN 80 LEU QD1 5.50 (#SUP 3.23)
&rst
ixpk= 3, nxpk= 0, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1194,1195,1196,
&end
#
# 74 LEU HB3 75 HID HN 4.44 (#SUP 8.80)
&rst
ixpk= 8, nxpk= 0, iat=1099,1113, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 73 THR QG2 75 HID HN 5.10 (#SUP 9.07)
&rst
ixpk= 9, nxpk= 0, iat= -1,1113, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1086,1087,1088,
&end
#
# 129 GLU HN 129 GLU HG2 4.19 (#SUP 7.18)
&rst
ixpk= 7, nxpk= 0, iat=1940,1947, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 128 LYS HB3 129 GLU HN 4.00 (#SUP 7.36)
&rst
ixpk= 7, nxpk= 0, iat=1923,1940, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 167 GLU HN 167 GLU HB3 3.83 (#SUP 5.25)
&rst
ixpk= 5, nxpk= 0, iat=2555,2560, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 68 VAL HN 71 SER HB2 4.75 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat=1018,1059, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 68 VAL HN 68 VAL HB 3.62 (#SUP 4.87)
&rst
ixpk= 4, nxpk= 0, iat=1018,1022, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 136 THR HB 139 GLU HN 4.98 (#SUP 3.32)
&rst
ixpk= 3, nxpk= 0, iat=2067,2106, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 136 THR HN 139 GLU HN 4.36 (#SUP 9.09)
&rst
ixpk= 9, nxpk= 0, iat=2063,2106, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 139 GLU HN 139 GLU HB2 3.63 (#SUP 8.04)
&rst
ixpk= 8, nxpk= 0, iat=2106,2110, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 138 GLU HB2 139 GLU HN 3.97 (#SUP 7.51)
&rst
ixpk= 7, nxpk= 0, iat=2095,2106, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 138 GLU HB3 139 GLU HN 3.92 (#SUP 7.78)
&rst
ixpk= 7, nxpk= 0, iat=2096,2106, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 139 GLU HN 139 GLU HB3 3.94 (#SUP 7.48)
&rst
ixpk= 7, nxpk= 0, iat=2106,2111, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 76 SER HN 79 ILE HN 3.50 (#SUP 6.64)
&rst
ixpk= 6, nxpk= 0, iat=1130,1166, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 111 THR HN 114 LYS HN 4.56 (#SUP 7.39)
&rst
ixpk= 7, nxpk= 0, iat=1674,1709, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 114 LYS HN 114 LYS HB2 3.11 (#SUP 6.99)
&rst
ixpk= 6, nxpk= 0, iat=1709,1713, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 28 LEU HN 28 LEU HB2 3.05 (#SUP 6.32)
&rst
ixpk= 6, nxpk= 0, iat= 395, 399, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 28 LEU HN 28 LEU QD1 4.03 (#SUP 5.00)
&rst
ixpk= 5, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 404, 405, 406,
&end
#
# 113 SER HB2 114 LYS HN 3.24 (#SUP 6.53)
&rst
ixpk= 6, nxpk= 0, iat=1702,1709, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 129 GLU HN 159 ILE HA 4.55 (#SUP 5.97)
&rst
ixpk= 5, nxpk= 0, iat=1940,2425, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 166 PHE HA 167 GLU HN 3.03 (#SUP 5.60)
&rst
ixpk= 5, nxpk= 0, iat=2537,2555, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 167 GLU HN 167 GLU QG 4.34 (#SUP 6.56)
&rst
ixpk= 6, nxpk= 0, iat=2555, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2=2562,2563,
&end
#
# 167 GLU HN 168 VAL QG1 5.50 (#SUP 3.15)
&rst
ixpk= 3, nxpk= 0, iat=2555, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2576,2577,2578,
&end
#
# 76 SER HN 78 GLU HN 5.14 (#SUP 8.03)
&rst
ixpk= 8, nxpk= 0, iat=1130,1151, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 168 VAL HN 168 VAL QG2 3.95 (#SUP 4.80)
&rst
ixpk= 4, nxpk= 0, iat=2570, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=2580,2581,2582,
&end
#
# 8 ALA HN 9 GLY HN 4.60 (#SUP 4.69)
&rst
ixpk= 4, nxpk= 0, iat= 100, 110, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 21 PRO HD2 24 ALA HN 5.17 (#SUP 6.23)
&rst
ixpk= 6, nxpk= 0, iat= 293, 337, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 24 ALA HN 25 LEU HB3 4.73 (#SUP 7.86)
&rst
ixpk= 7, nxpk= 0, iat= 337, 352, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 22 VAL HN 24 ALA HN 5.24 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= 306, 337, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 60 PHE HN 61 ASP HN 5.20 (#SUP 6.31)
&rst
ixpk= 6, nxpk= 0, iat= 892, 912, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 60 PHE QD 88 ARG HN 5.50 (#SUP 7.22)
&rst
ixpk= 7, nxpk= 0, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 900, 908,
&end
#
# 88 ARG HN 88 ARG HD3 4.53 (#SUP 9.13)
&rst
ixpk= 9, nxpk= 0, iat=1320,1331, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 88 ARG HN 88 ARG HB3 3.67 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat=1320,1325, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 87 LEU QD2 88 ARG HN 3.99 (#SUP 9.48)
&rst
ixpk= 9, nxpk= 0, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1314,1315,1316,
&end
#
# 14 VAL HN 43 SER HB3 4.88 (#SUP 3.28)
&rst
ixpk= 3, nxpk= 0, iat= 180, 631, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 139 GLU HB2 140 VAL HN 4.21 (#SUP 6.31)
&rst
ixpk= 6, nxpk= 0, iat=2110,2121, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 140 VAL HN 140 VAL HB 3.22 (#SUP 6.27)
&rst
ixpk= 6, nxpk= 0, iat=2121,2125, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 139 GLU HB3 140 VAL HN 4.11 (#SUP 6.39)
&rst
ixpk= 6, nxpk= 0, iat=2111,2121, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 108 LYS HN 108 LYS HG3 4.45 (#SUP 7.59)
&rst
ixpk= 7, nxpk= 0, iat=1614,1622, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 108 LYS HN 111 THR QG2 5.39 (#SUP 1.45)
&rst
ixpk= 1, nxpk= 0, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=1680,1681,1682,
&end
#
# 143 VAL HN 144 ARG HN 3.85 (#SUP 8.12)
&rst
ixpk= 8, nxpk= 0, iat=2165,2181, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 142 SER HB2 143 VAL HN 4.05 (#SUP 6.37)
&rst
ixpk= 6, nxpk= 0, iat=2158,2165, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 72 THR HB 143 VAL HN 4.65 (#SUP 2.96)
&rst
ixpk= 2, nxpk= 0, iat=1070,2165, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 7 SER HN 10 GLN HE21 4.62 (#SUP 5.22)
&rst
ixpk= 5, nxpk= 0, iat= 89, 129, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 76 SER HN 77 ALA HN 4.88 (#SUP 4.30)
&rst
ixpk= 4, nxpk= 0, iat=1130,1141, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 23 GLU HA 25 LEU HN 5.08 (#SUP 4.93)
&rst
ixpk= 4, nxpk= 0, iat= 324, 347, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 25 LEU HN 25 LEU HB2 3.57 (#SUP 7.50)
&rst
ixpk= 7, nxpk= 0, iat= 347, 351, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 25 LEU HN 25 LEU HG 4.65 (#SUP 7.31)
&rst
ixpk= 7, nxpk= 0, iat= 347, 354, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 25 LEU HN 25 LEU HB3 3.44 (#SUP 7.85)
&rst
ixpk= 7, nxpk= 0, iat= 347, 352, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 50 LEU HN 50 LEU QD1 4.42 (#SUP 7.25)
&rst
ixpk= 7, nxpk= 0, iat= 740, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 749, 750, 751,
&end
#
# 23 GLU QG 24 ALA HN 4.38 (#SUP 7.78)
&rst
ixpk= 7, nxpk= 0, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 329, 330,
&end
#
# 11 PHE HN 60 PHE QD 5.50 (#SUP 6.76)
&rst
ixpk= 6, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 900, 908,
&end
#
# 11 PHE HN 41 ARG HN 5.45 (#SUP 5.33)
&rst
ixpk= 5, nxpk= 0, iat= 134, 586, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 11 PHE HB3 61 ASP HN 3.75 (#SUP 5.87)
&rst
ixpk= 5, nxpk= 0, iat= 139, 912, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 61 ASP HN 62 ILE HG13 5.50 (#SUP 6.06)
&rst
ixpk= 6, nxpk= 0, iat= 912, 935, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 ASP HN 87 LEU QD2 5.50 (#SUP 7.24)
&rst
ixpk= 7, nxpk= 0, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1314,1315,1316,
&end
#
# 14 VAL HN 14 VAL HB 3.78 (#SUP 5.27)
&rst
ixpk= 5, nxpk= 0, iat= 180, 184, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 20 SER HN 20 SER HB2 3.45 (#SUP 3.77)
&rst
ixpk= 3, nxpk= 0, iat= 281, 285, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 20 SER HN 20 SER HB3 3.69 (#SUP 3.24)
&rst
ixpk= 3, nxpk= 0, iat= 281, 286, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 20 SER HN 68 VAL QG2 4.93 (#SUP 4.00)
&rst
ixpk= 4, nxpk= 0, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=1028,1029,1030,
&end
#
# 82 GLU HN 82 GLU HB3 3.32 (#SUP 5.41)
&rst
ixpk= 5, nxpk= 0, iat=1214,1219, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 50 LEU HN 50 LEU QB 3.33 (#SUP 7.41)
&rst
ixpk= 7, nxpk= 0, iat= 740, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 744, 745,
&end
#
# 11 PHE HN 11 PHE HB3 4.01 (#SUP 7.67)
&rst
ixpk= 7, nxpk= 0, iat= 134, 139, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 10 GLN HB2 11 PHE HN 4.22 (#SUP 8.07)
&rst
ixpk= 8, nxpk= 0, iat= 121, 134, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 11 PHE HN 36 THR QG2 5.50 (#SUP 4.47)
&rst
ixpk= 4, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 535, 536, 537,
&end
#
# 133 GLU HN 156 PHE HB2 4.08 (#SUP 8.96)
&rst
ixpk= 8, nxpk= 0, iat=2015,2374, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 154 LEU HB2 155 LEU HN 3.60 (#SUP 6.54)
&rst
ixpk= 6, nxpk= 0, iat=2336,2351, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 99 VAL QG2 155 LEU HN 3.94 (#SUP 5.93)
&rst
ixpk= 5, nxpk= 0, iat= -1,2351, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1502,1503,1504,
&end
#
# 132 ARG HN 132 ARG HD3 5.03 (#SUP 7.70)
&rst
ixpk= 7, nxpk= 0, iat=1991,2002, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 73 THR HN 74 LEU HN 4.63 (#SUP 5.81)
&rst
ixpk= 5, nxpk= 0, iat=1080,1094, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 73 THR HB 74 LEU HN 4.53 (#SUP 5.74)
&rst
ixpk= 5, nxpk= 0, iat=1084,1094, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 74 LEU HN 74 LEU HB2 3.12 (#SUP 8.60)
&rst
ixpk= 8, nxpk= 0, iat=1094,1098, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 74 LEU HN 74 LEU QD1 3.74 (#SUP 6.99)
&rst
ixpk= 6, nxpk= 0, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1103,1104,1105,
&end
#
# 144 ARG HN 144 ARG HB2 3.11 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat=2181,2185, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 143 VAL QG1 144 ARG HN 3.94 (#SUP 7.17)
&rst
ixpk= 7, nxpk= 0, iat= -1,2181, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=2171,2172,2173,
&end
#
# 54 ALA HN 55 HID HN 3.79 (#SUP 6.73)
&rst
ixpk= 6, nxpk= 0, iat= 806, 816, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 53 SER HB2 54 ALA HN 4.33 (#SUP 6.43)
&rst
ixpk= 6, nxpk= 0, iat= 799, 806, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 53 SER HB3 54 ALA HN 4.60 (#SUP 6.92)
&rst
ixpk= 6, nxpk= 0, iat= 800, 806, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 154 LEU HN 155 LEU HN 4.81 (#SUP 6.80)
&rst
ixpk= 6, nxpk= 0, iat=2332,2351, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 133 GLU HN 134 PRO HD3 5.07 (#SUP 3.08)
&rst
ixpk= 3, nxpk= 0, iat=2015,2032, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 98 PRO HB2 155 LEU HN 4.55 (#SUP 2.89)
&rst
ixpk= 2, nxpk= 0, iat=1485,2351, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 155 LEU HN 155 LEU HB3 3.73 (#SUP 6.92)
&rst
ixpk= 6, nxpk= 0, iat=2351,2356, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 100 GLU HA 155 LEU HN 4.25 (#SUP 6.24)
&rst
ixpk= 6, nxpk= 0, iat=1510,2351, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 132 ARG HN 157 VAL HA 4.92 (#SUP 6.09)
&rst
ixpk= 6, nxpk= 0, iat=1991,2392, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 132 ARG HN 157 VAL QG1 5.50 (#SUP 5.41)
&rst
ixpk= 5, nxpk= 0, iat=1991, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2396,2397,2398,
&end
#
# 2 ALA HN 3 ASP HN 3.95 (#SUP 4.51)
&rst
ixpk= 4, nxpk= 0, iat= 21, 31, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 144 ARG HN 149 HID HN 5.22 (#SUP 8.91)
&rst
ixpk= 8, nxpk= 0, iat=2181,2263, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 50 LEU QD2 54 ALA HN 5.50 (#SUP 3.00)
&rst
ixpk= 3, nxpk= 0, iat= -1, 806, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 753, 754, 755,
&end
#
# 34 ALA HN 35 LEU HN 3.39 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= 500, 510, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 133 GLU HG3 156 PHE HN 5.50 (#SUP 3.95)
&rst
ixpk= 3, nxpk= 0, iat=2023,2370, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 LEU HB2 156 PHE HN 5.50 (#SUP 4.82)
&rst
ixpk= 4, nxpk= 0, iat=2048,2370, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 155 LEU HB3 156 PHE HN 4.22 (#SUP 8.28)
&rst
ixpk= 8, nxpk= 0, iat=2356,2370, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 135 LEU QD1 156 PHE HN 4.30 (#SUP 9.97)
&rst
ixpk= 9, nxpk= 0, iat= -1,2370, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=2053,2054,2055,
&end
#
# 55 HID HB3 56 LYS HN 3.92 (#SUP 7.69)
&rst
ixpk= 7, nxpk= 0, iat= 821, 833, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 56 LYS HN 56 LYS HB2 3.87 (#SUP 8.76)
&rst
ixpk= 8, nxpk= 0, iat= 833, 837, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 4 PHE HB3 6 ILE HN 5.01 (#SUP 7.69)
&rst
ixpk= 7, nxpk= 0, iat= 48, 70, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 6 ILE HN 6 ILE HG13 3.73 (#SUP 7.12)
&rst
ixpk= 7, nxpk= 0, iat= 70, 81, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 6 ILE HN 6 ILE QD1 3.49 (#SUP 7.90)
&rst
ixpk= 7, nxpk= 0, iat= 70, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 83, 84, 85,
&end
#
# 156 PHE HN 157 VAL HN 5.50 (#SUP 5.54)
&rst
ixpk= 5, nxpk= 0, iat=2370,2390, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 GLU HN 80 LEU HN 4.68 (#SUP 7.75)
&rst
ixpk= 7, nxpk= 0, iat=1151,1185, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 80 LEU HB3 81 ALA HN 3.65 (#SUP 6.69)
&rst
ixpk= 6, nxpk= 0, iat=1190,1204, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 80 LEU HN 80 LEU HB2 3.60 (#SUP 8.06)
&rst
ixpk= 8, nxpk= 0, iat=1185,1189, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 80 LEU HN 80 LEU HG 3.38 (#SUP 7.95)
&rst
ixpk= 7, nxpk= 0, iat=1185,1192, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 75 HID HB2 80 LEU HN 5.37 (#SUP 7.58)
&rst
ixpk= 7, nxpk= 0, iat=1117,1185, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 166 PHE HN 166 PHE HA 2.82 (#SUP 5.96)
&rst
ixpk= 5, nxpk= 0, iat=2535,2537, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 165 ASN HB3 166 PHE HN 4.02 (#SUP 6.55)
&rst
ixpk= 6, nxpk= 0, iat=2526,2535, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 118 ALA HN 119 LEU HN 3.19 (#SUP 6.21)
&rst
ixpk= 6, nxpk= 0, iat=1772,1782, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 22 VAL HB 23 GLU HN 3.04 (#SUP 8.60)
&rst
ixpk= 8, nxpk= 0, iat= 310, 322, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 28 LEU HB2 29 VAL HN 4.09 (#SUP 7.84)
&rst
ixpk= 7, nxpk= 0, iat= 399, 414, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 29 VAL HN 29 VAL QG1 3.36 (#SUP 6.38)
&rst
ixpk= 6, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 420, 421, 422,
&end
#
# 83 ILE HN 83 ILE HB 3.09 (#SUP 7.72)
&rst
ixpk= 7, nxpk= 0, iat=1229,1233, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 153 ASN HA 154 LEU HN 3.39 (#SUP 6.82)
&rst
ixpk= 6, nxpk= 0, iat=2320,2332, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 154 LEU HN 154 LEU HB2 3.55 (#SUP 8.40)
&rst
ixpk= 8, nxpk= 0, iat=2332,2336, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 154 LEU HN 154 LEU HB3 3.57 (#SUP 8.33)
&rst
ixpk= 8, nxpk= 0, iat=2332,2337, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 154 LEU HN 154 LEU QD1 4.40 (#SUP 6.13)
&rst
ixpk= 6, nxpk= 0, iat=2332, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=2341,2342,2343,
&end
#
# 31 LYS HG2 32 LEU HN 4.81 (#SUP 7.83)
&rst
ixpk= 7, nxpk= 0, iat= 449, 464, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 32 LEU HN 32 LEU QD2 3.73 (#SUP 7.56)
&rst
ixpk= 7, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 477, 478, 479,
&end
#
# 100 GLU HN 111 THR HB 3.93 (#SUP 4.56)
&rst
ixpk= 4, nxpk= 0, iat=1508,1678, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 120 THR HN 127 VAL QG1 5.07 (#SUP 4.88)
&rst
ixpk= 4, nxpk= 0, iat=1801, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1908,1909,1910,
&end
#
# 153 ASN HN 154 LEU HN 3.35 (#SUP 8.35)
&rst
ixpk= 8, nxpk= 0, iat=2318,2332, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 141 GLN HN 141 GLN HB3 2.80 (#SUP 8.58)
&rst
ixpk= 8, nxpk= 0, iat=2137,2142, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 140 VAL QG1 141 GLN HN 3.74 (#SUP 6.19)
&rst
ixpk= 6, nxpk= 0, iat= -1,2137, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2127,2128,2129,
&end
#
# 31 LYS HN 31 LYS HB3 3.88 (#SUP 9.79)
&rst
ixpk= 9, nxpk= 0, iat= 442, 447, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 31 LYS HN 31 LYS QD 3.87 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 452, 453,
&end
#
# 151 SER HA 153 ASN HN 4.51 (#SUP 5.49)
&rst
ixpk= 5, nxpk= 0, iat=2297,2318, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 152 ASP HB3 153 ASN HN 4.46 (#SUP 7.77)
&rst
ixpk= 7, nxpk= 0, iat=2311,2318, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 31 LYS HB2 32 LEU HN 4.09 (#SUP 7.22)
&rst
ixpk= 7, nxpk= 0, iat= 446, 464, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 32 LEU HN 32 LEU HB3 4.08 (#SUP 8.41)
&rst
ixpk= 8, nxpk= 0, iat= 464, 469, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 31 LYS HN 31 LYS HG2 4.38 (#SUP 8.67)
&rst
ixpk= 8, nxpk= 0, iat= 442, 449, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 15 VAL HB 65 SER HN 5.50 (#SUP 6.98)
&rst
ixpk= 6, nxpk= 0, iat= 200, 981, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 SER HN 93 LEU QD2 3.93 (#SUP 4.50)
&rst
ixpk= 4, nxpk= 0, iat= 981, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1396,1397,1398,
&end
#
# 65 SER HN 94 PHE HB3 5.45 (#SUP 4.53)
&rst
ixpk= 4, nxpk= 0, iat= 981,1407, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 156 PHE HA 157 VAL HN 3.09 (#SUP 5.48)
&rst
ixpk= 5, nxpk= 0, iat=2372,2390, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 29 VAL HB 30 ASP HN 4.15 (#SUP 6.15)
&rst
ixpk= 6, nxpk= 0, iat= 418, 430, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 51 LEU HN 52 GLN HN 3.11 (#SUP 5.40)
&rst
ixpk= 5, nxpk= 0, iat= 759, 778, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 106 ASN HN 107 SER HN 5.50 (#SUP 4.69)
&rst
ixpk= 4, nxpk= 0, iat=1589,1603, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 ASN HN 106 ASN HB3 3.86 (#SUP 6.45)
&rst
ixpk= 6, nxpk= 0, iat=1589,1594, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 46 ASN HB2 48 LYS HN 5.12 (#SUP 7.69)
&rst
ixpk= 7, nxpk= 0, iat= 672, 701, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 48 LYS HN 48 LYS HG3 4.34 (#SUP 8.78)
&rst
ixpk= 8, nxpk= 0, iat= 701, 709, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 83 ILE QG2 84 ALA HN 4.47 (#SUP 4.76)
&rst
ixpk= 4, nxpk= 0, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1235,1236,1237,
&end
#
# 17 ASP HN 73 THR QG2 5.50 (#SUP 1.50)
&rst
ixpk= 1, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1086,1087,1088,
&end
#
# 17 ASP HN 25 LEU QD2 5.50 (#SUP 6.50)
&rst
ixpk= 6, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 360, 361, 362,
&end
#
# 145 GLU HN 146 HID HD2 5.42 (#SUP 6.31)
&rst
ixpk= 6, nxpk= 0, iat=2205,2233, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 145 GLU HN 145 GLU HB2 3.06 (#SUP 7.21)
&rst
ixpk= 7, nxpk= 0, iat=2205,2209, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 145 GLU HN 146 HID HN 4.05 (#SUP 8.32)
&rst
ixpk= 8, nxpk= 0, iat=2205,2220, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 83 ILE HB 84 ALA HN 3.36 (#SUP 5.16)
&rst
ixpk= 5, nxpk= 0, iat=1233,1248, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 85 ARG HN 85 ARG HD3 4.65 (#SUP 7.39)
&rst
ixpk= 7, nxpk= 0, iat=1258,1269, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 109 VAL HN 110 LYS HN 4.70 (#SUP 6.84)
&rst
ixpk= 6, nxpk= 0, iat=1636,1652, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 106 ASN HB3 109 VAL HN 5.84 (#SUP 3.15)
&rst
ixpk= 3, nxpk= 0, iat=1594,1636, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 108 LYS HG3 109 VAL HN 4.68 (#SUP 7.05)
&rst
ixpk= 7, nxpk= 0, iat=1622,1636, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 145 GLU HN 149 HID HN 5.50 (#SUP 3.77)
&rst
ixpk= 3, nxpk= 0, iat=2205,2263, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 VAL QG2 149 HID HN 5.70 (#SUP 2.86)
&rst
ixpk= 2, nxpk= 0, iat= -1,2263, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1=1646,1647,1648,
&end
#
# 53 SER HB2 55 HID HN 5.33 (#SUP 5.27)
&rst
ixpk= 5, nxpk= 0, iat= 799, 816, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 55 HID HN 56 LYS HN 4.64 (#SUP 7.41)
&rst
ixpk= 7, nxpk= 0, iat= 816, 833, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 138 GLU HN 139 GLU HN 3.61 (#SUP 8.79)
&rst
ixpk= 8, nxpk= 0, iat=2091,2106, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 136 THR HB 138 GLU HN 4.09 (#SUP 6.69)
&rst
ixpk= 6, nxpk= 0, iat=2067,2091, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 137 PRO HB2 138 GLU HN 3.91 (#SUP 9.64)
&rst
ixpk= 9, nxpk= 0, iat=2084,2091, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 137 PRO HG3 138 GLU HN 3.99 (#SUP 8.55)
&rst
ixpk= 8, nxpk= 0, iat=2082,2091, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 159 ILE QG2 160 THR HN 4.18 (#SUP 6.08)
&rst
ixpk= 6, nxpk= 0, iat= -1,2442, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=2429,2430,2431,
&end
#
# 102 ALA HN 103 VAL HN 3.34 (#SUP 5.78)
&rst
ixpk= 5, nxpk= 0, iat=1537,1547, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 101 THR QG2 103 VAL HN 5.41 (#SUP 2.17)
&rst
ixpk= 2, nxpk= 0, iat= -1,1547, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=1529,1530,1531,
&end
#
# 103 VAL HN 103 VAL HB 3.28 (#SUP 5.65)
&rst
ixpk= 5, nxpk= 0, iat=1547,1551, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 103 VAL HN 103 VAL QG2 3.31 (#SUP 6.13)
&rst
ixpk= 6, nxpk= 0, iat=1547, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1557,1558,1559,
&end
#
# 24 ALA HN 26 LYS HN 4.91 (#SUP 7.14)
&rst
ixpk= 7, nxpk= 0, iat= 337, 366, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 26 LYS HN 26 LYS HB2 3.25 (#SUP 6.19)
&rst
ixpk= 6, nxpk= 0, iat= 366, 370, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 25 LEU HB3 26 LYS HN 4.11 (#SUP 8.66)
&rst
ixpk= 8, nxpk= 0, iat= 352, 366, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 23 GLU HA 26 LYS HN 4.83 (#SUP 6.27)
&rst
ixpk= 6, nxpk= 0, iat= 324, 366, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 83 ILE HN 85 ARG HN 4.81 (#SUP 4.16)
&rst
ixpk= 4, nxpk= 0, iat=1229,1258, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 85 ARG HN 86 ILE HA 5.45 (#SUP 5.68)
&rst
ixpk= 5, nxpk= 0, iat=1258,1284, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 85 ARG HN 85 ARG HB2 3.42 (#SUP 8.34)
&rst
ixpk= 8, nxpk= 0, iat=1258,1262, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 127 VAL HN 128 LYS QD 4.75 (#SUP 6.09)
&rst
ixpk= 6, nxpk= 0, iat=1902, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1928,1929,
&end
#
# 125 VAL HA 127 VAL HN 3.53 (#SUP 6.68)
&rst
ixpk= 6, nxpk= 0, iat=1873,1902, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 126 GLU QG 127 VAL HN 4.43 (#SUP 6.98)
&rst
ixpk= 6, nxpk= 0, iat= -1,1902, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1894,1895,
&end
#
# 108 LYS HN 109 VAL HN 3.50 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat=1614,1636, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 107 SER HB3 109 VAL HN 4.21 (#SUP 5.24)
&rst
ixpk= 5, nxpk= 0, iat=1608,1636, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 147 LEU QD2 149 HID HN 4.98 (#SUP 4.76)
&rst
ixpk= 4, nxpk= 0, iat= -1,2263, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=2250,2251,2252,
&end
#
# 78 GLU HN 80 LEU HG 5.50 (#SUP 3.99)
&rst
ixpk= 3, nxpk= 0, iat=1151,1192, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 SER HB3 78 GLU HN 3.95 (#SUP 5.27)
&rst
ixpk= 5, nxpk= 0, iat=1135,1151, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 78 GLU HN 79 ILE QD1 5.50 (#SUP 8.69)
&rst
ixpk= 8, nxpk= 0, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1179,1180,1181,
&end
#
# 136 THR HA 138 GLU HN 4.58 (#SUP 7.39)
&rst
ixpk= 7, nxpk= 0, iat=2065,2091, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 7 SER HN 10 GLN HN 5.18 (#SUP 5.81)
&rst
ixpk= 5, nxpk= 0, iat= 89, 117, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 10 GLN HN 10 GLN HG3 3.32 (#SUP 8.65)
&rst
ixpk= 8, nxpk= 0, iat= 117, 125, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 10 GLN HN 10 GLN HB3 3.73 (#SUP 7.28)
&rst
ixpk= 7, nxpk= 0, iat= 117, 122, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 121 LEU HN 124 LEU HN 5.41 (#SUP 6.54)
&rst
ixpk= 6, nxpk= 0, iat=1815,1852, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 120 THR HA 124 LEU HN 3.46 (#SUP 6.73)
&rst
ixpk= 6, nxpk= 0, iat=1803,1852, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 124 LEU HN 164 PRO HD3 4.89 (#SUP 3.70)
&rst
ixpk= 3, nxpk= 0, iat=1852,2509, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 124 LEU HN 124 LEU HB3 3.56 (#SUP 6.29)
&rst
ixpk= 6, nxpk= 0, iat=1852,1857, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 124 LEU HN 124 LEU HB2 3.92 (#SUP 7.38)
&rst
ixpk= 7, nxpk= 0, iat=1852,1856, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 124 LEU HN 125 VAL QG1 5.50 (#SUP 6.86)
&rst
ixpk= 6, nxpk= 0, iat=1852, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1877,1878,1879,
&end
#
# 60 PHE HN 87 LEU HN 5.21 (#SUP 6.55)
&rst
ixpk= 6, nxpk= 0, iat= 892,1301, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 60 PHE HN 88 ARG HN 4.40 (#SUP 9.76)
&rst
ixpk= 9, nxpk= 0, iat= 892,1320, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 60 PHE HN 60 PHE QD 3.99 (#SUP 7.61)
&rst
ixpk= 7, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 900, 908,
&end
#
# 60 PHE HN 60 PHE HB2 3.79 (#SUP 5.07)
&rst
ixpk= 5, nxpk= 0, iat= 892, 896, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 60 PHE HN 88 ARG HG3 4.64 (#SUP 6.26)
&rst
ixpk= 6, nxpk= 0, iat= 892,1328, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 60 PHE HN 88 ARG HG2 4.43 (#SUP 6.23)
&rst
ixpk= 6, nxpk= 0, iat= 892,1327, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 60 PHE HN 87 LEU QD2 4.64 (#SUP 8.03)
&rst
ixpk= 8, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1314,1315,1316,
&end
#
# 49 GLN HN 50 LEU QB 4.61 (#SUP 4.57)
&rst
ixpk= 4, nxpk= 0, iat= 723, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 744, 745,
&end
#
# 49 GLN HN 50 LEU HN 3.36 (#SUP 8.26)
&rst
ixpk= 8, nxpk= 0, iat= 723, 740, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 49 GLN HN 49 GLN HB2 3.66 (#SUP 6.75)
&rst
ixpk= 6, nxpk= 0, iat= 723, 727, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 46 ASN HD22 49 GLN HN 5.50 (#SUP 4.97)
&rst
ixpk= 4, nxpk= 0, iat= 678, 723, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 115 LEU HB2 116 CYS HN 3.72 (#SUP 8.26)
&rst
ixpk= 8, nxpk= 0, iat=1735,1750, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 115 LEU HB3 116 CYS HN 3.91 (#SUP 7.21)
&rst
ixpk= 7, nxpk= 0, iat=1736,1750, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 115 LEU QD2 116 CYS HN 4.46 (#SUP 7.07)
&rst
ixpk= 7, nxpk= 0, iat= -1,1750, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=1744,1745,1746,
&end
#
# 116 CYS HN 116 CYS HB3 3.54 (#SUP 5.45)
&rst
ixpk= 5, nxpk= 0, iat=1750,1755, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 35 LEU HN 35 LEU QD1 4.10 (#SUP 9.05)
&rst
ixpk= 9, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 519, 520, 521,
&end
#
# 3 ASP HN 4 PHE QD 5.34 (#SUP 5.26)
&rst
ixpk= 5, nxpk= 0, iat= 31, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 51, 59,
&end
#
# 32 LEU HA 35 LEU HN 3.75 (#SUP 5.40)
&rst
ixpk= 5, nxpk= 0, iat= 466, 510, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 3 ASP HN 3 ASP HB3 3.64 (#SUP 5.26)
&rst
ixpk= 5, nxpk= 0, iat= 31, 36, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 2 ALA QB 3 ASP HN 3.57 (#SUP 5.34)
&rst
ixpk= 5, nxpk= 0, iat= -1, 31, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 25, 26, 27,
&end
#
# 3 ASP HN 4 PHE HN 4.02 (#SUP 7.55)
&rst
ixpk= 7, nxpk= 0, iat= 31, 43, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 1 MET HA 3 ASP HN 4.56 (#SUP 3.49)
&rst
ixpk= 3, nxpk= 0, iat= 6, 31, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 38 ASN HN 39 GLU HB2 5.50 (#SUP 3.88)
&rst
ixpk= 3, nxpk= 0, iat= 550, 568, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 SER HN 72 THR HN 5.23 (#SUP 1.50)
&rst
ixpk= 1, nxpk= 0, iat= 270,1066, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 17 ASP HN 19 SER HN 5.06 (#SUP 2.18)
&rst
ixpk= 2, nxpk= 0, iat= 236, 270, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 19 SER HN 19 SER QB 3.67 (#SUP 2.16)
&rst
ixpk= 2, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 274, 275,
&end
#
# 17 ASP HB2 19 SER HN 5.20 (#SUP 1.21)
&rst
ixpk= 1, nxpk= 0, iat= 240, 270, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 18 LYS HG3 19 SER HN 5.50 (#SUP 5.21)
&rst
ixpk= 5, nxpk= 0, iat= 256, 270, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 142 SER HN 142 SER HB3 3.08 (#SUP 7.16)
&rst
ixpk= 7, nxpk= 0, iat=2154,2159, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 141 GLN HB2 142 SER HN 4.16 (#SUP 7.25)
&rst
ixpk= 7, nxpk= 0, iat=2141,2154, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 15 VAL QG1 66 GLY HN 5.30 (#SUP 7.07)
&rst
ixpk= 7, nxpk= 0, iat= -1, 992, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 202, 203, 204,
&end
#
# 3 ASP HB3 4 PHE HN 5.39 (#SUP 7.75)
&rst
ixpk= 7, nxpk= 0, iat= 36, 43, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 38 ASN HN 39 GLU HN 4.79 (#SUP 6.54)
&rst
ixpk= 6, nxpk= 0, iat= 550, 564, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 39 GLU HN 40 GLY HN 3.59 (#SUP 8.15)
&rst
ixpk= 8, nxpk= 0, iat= 564, 579, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 37 GLY HA3 39 GLU HN 5.50 (#SUP 3.03)
&rst
ixpk= 3, nxpk= 0, iat= 546, 564, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 GLU HN 39 GLU HB2 3.40 (#SUP 7.81)
&rst
ixpk= 7, nxpk= 0, iat= 564, 568, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 90 GLY HN 91 GLY HA3 4.82 (#SUP 3.20)
&rst
ixpk= 3, nxpk= 0, iat=1358,1368, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 90 GLY HN 165 ASN HB3 4.40 (#SUP 4.00)
&rst
ixpk= 4, nxpk= 0, iat=1358,2526, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 90 GLY HN 163 LYS HB2 4.18 (#SUP 2.41)
&rst
ixpk= 2, nxpk= 0, iat=1358,2489, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 90 GLY HN 163 LYS HB3 3.97 (#SUP 4.61)
&rst
ixpk= 4, nxpk= 0, iat=1358,2490, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 87 LEU QD2 90 GLY HN 5.50 (#SUP 1.95)
&rst
ixpk= 1, nxpk= 0, iat= -1,1358, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1314,1315,1316,
&end
#
# 53 SER HN 53 SER HB2 3.39 (#SUP 5.62)
&rst
ixpk= 5, nxpk= 0, iat= 795, 799, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 53 SER HN 53 SER HB3 3.75 (#SUP 6.08)
&rst
ixpk= 6, nxpk= 0, iat= 795, 800, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 52 GLN QB 53 SER HN 3.51 (#SUP 7.81)
&rst
ixpk= 7, nxpk= 0, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 782, 783,
&end
#
# 50 LEU HN 51 LEU HN 4.19 (#SUP 9.36)
&rst
ixpk= 9, nxpk= 0, iat= 740, 759, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 51 LEU HN 51 LEU HB2 3.12 (#SUP 6.90)
&rst
ixpk= 6, nxpk= 0, iat= 759, 763, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 151 SER HN 154 LEU QD2 5.50 (#SUP 1.02)
&rst
ixpk= 1, nxpk= 0, iat=2295, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2345,2346,2347,
&end
#
# 151 SER HN 152 ASP HN 4.61 (#SUP 4.22)
&rst
ixpk= 4, nxpk= 0, iat=2295,2306, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 150 GLU HB2 151 SER HN 4.50 (#SUP 5.25)
&rst
ixpk= 5, nxpk= 0, iat=2284,2295, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 60 PHE QD 62 ILE HN 4.75 (#SUP 8.00)
&rst
ixpk= 8, nxpk= 0, iat= -1, 924, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 900, 908,
&end
#
# 12 VAL HA 62 ILE HN 4.09 (#SUP 7.22)
&rst
ixpk= 7, nxpk= 0, iat= 156, 924, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 60 PHE HB2 62 ILE HN 4.00 (#SUP 7.63)
&rst
ixpk= 7, nxpk= 0, iat= 896, 924, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 67 LEU HN 67 LEU HB2 3.88 (#SUP 6.04)
&rst
ixpk= 6, nxpk= 0, iat= 999,1003, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 62 ILE HN 62 ILE HG13 3.74 (#SUP 8.98)
&rst
ixpk= 8, nxpk= 0, iat= 924, 935, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 65 SER HB2 66 GLY HN 4.38 (#SUP 4.52)
&rst
ixpk= 4, nxpk= 0, iat= 985, 992, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 65 SER HB3 66 GLY HN 4.84 (#SUP 4.92)
&rst
ixpk= 4, nxpk= 0, iat= 986, 992, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 47 ILE QD1 66 GLY HN 5.25 (#SUP 5.11)
&rst
ixpk= 5, nxpk= 0, iat= -1, 992, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 695, 696, 697,
&end
#
# 65 SER HN 66 GLY HN 5.45 (#SUP 6.01)
&rst
ixpk= 6, nxpk= 0, iat= 981, 992, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 66 GLY HN 67 LEU HN 4.05 (#SUP 5.35)
&rst
ixpk= 5, nxpk= 0, iat= 992, 999, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 1 MET HA 4 PHE HN 5.33 (#SUP 2.51)
&rst
ixpk= 2, nxpk= 0, iat= 6, 43, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 136 THR HN 139 GLU HB2 3.99 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat=2063,2110, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 135 LEU HB3 136 THR HN 4.52 (#SUP 7.22)
&rst
ixpk= 7, nxpk= 0, iat=2049,2063, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 136 THR HN 138 GLU HN 5.50 (#SUP 9.14)
&rst
ixpk= 9, nxpk= 0, iat=2063,2091, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 LEU HN 136 THR HN 4.81 (#SUP 7.40)
&rst
ixpk= 7, nxpk= 0, iat=2044,2063, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 107 SER HN 107 SER HB2 4.13 (#SUP 5.02)
&rst
ixpk= 5, nxpk= 0, iat=1603,1607, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 106 ASN HB3 107 SER HN 4.80 (#SUP 6.54)
&rst
ixpk= 6, nxpk= 0, iat=1594,1603, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 151 SER HN 151 SER HB2 3.86 (#SUP 4.67)
&rst
ixpk= 4, nxpk= 0, iat=2295,2299, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 145 GLU HN 147 LEU HN 5.35 (#SUP 6.00)
&rst
ixpk= 6, nxpk= 0, iat=2205,2237, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 143 VAL HA 147 LEU HN 4.28 (#SUP 5.71)
&rst
ixpk= 5, nxpk= 0, iat=2167,2237, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 146 HID HB2 147 LEU HN 3.88 (#SUP 8.59)
&rst
ixpk= 8, nxpk= 0, iat=2224,2237, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 147 LEU HN 147 LEU HB2 4.07 (#SUP 7.94)
&rst
ixpk= 7, nxpk= 0, iat=2237,2241, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 147 LEU HN 147 LEU HG 4.00 (#SUP 7.13)
&rst
ixpk= 7, nxpk= 0, iat=2237,2244, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 146 HID HN 146 HID HB2 3.35 (#SUP 8.70)
&rst
ixpk= 8, nxpk= 0, iat=2220,2224, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 145 GLU HB2 146 HID HN 4.04 (#SUP 7.36)
&rst
ixpk= 7, nxpk= 0, iat=2209,2220, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 142 SER HA 146 HID HN 4.70 (#SUP 6.37)
&rst
ixpk= 6, nxpk= 0, iat=2156,2220, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 58 SER HN 86 ILE HN 5.50 (#SUP 3.63)
&rst
ixpk= 3, nxpk= 0, iat= 870,1282, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 SER HN 86 ILE HA 3.71 (#SUP 8.38)
&rst
ixpk= 8, nxpk= 0, iat= 870,1284, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 58 SER HN 59 SER HB3 5.50 (#SUP 5.45)
&rst
ixpk= 5, nxpk= 0, iat= 870, 886, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 GLU HB2 58 SER HN 4.73 (#SUP 5.94)
&rst
ixpk= 5, nxpk= 0, iat= 859, 870, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 57 GLU HB3 58 SER HN 4.64 (#SUP 6.56)
&rst
ixpk= 6, nxpk= 0, iat= 860, 870, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 58 SER HN 85 ARG HG3 5.29 (#SUP 5.37)
&rst
ixpk= 5, nxpk= 0, iat= 870,1266, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 58 SER HN 86 ILE QG2 4.72 (#SUP 6.76)
&rst
ixpk= 6, nxpk= 0, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1288,1289,1290,
&end
#
# 153 ASN HN 153 ASN HD21 4.60 (#SUP 6.97)
&rst
ixpk= 6, nxpk= 0, iat=2318,2327, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 153 ASN HB3 153 ASN HD22 4.04 (#SUP 5.23)
&rst
ixpk= 5, nxpk= 0, iat=2323,2328, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 70 GLY HN 133 GLU HG3 4.17 (#SUP 3.82)
&rst
ixpk= 3, nxpk= 0, iat=1048,2023, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 70 GLY HN 133 GLU HB3 4.93 (#SUP 2.00)
&rst
ixpk= 2, nxpk= 0, iat=1048,2020, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 68 VAL QG2 70 GLY HN 5.50 (#SUP 4.79)
&rst
ixpk= 4, nxpk= 0, iat= -1,1048, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1028,1029,1030,
&end
#
# 116 CYS HB2 117 SER HN 3.47 (#SUP 7.15)
&rst
ixpk= 7, nxpk= 0, iat=1754,1761, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 117 SER HN 118 ALA QB 4.81 (#SUP 5.04)
&rst
ixpk= 5, nxpk= 0, iat=1761, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1776,1777,1778,
&end
#
# 131 GLN HN 158 GLN HN 3.74 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat=1974,2406, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 131 GLN HN 159 ILE HA 4.65 (#SUP 8.83)
&rst
ixpk= 8, nxpk= 0, iat=1974,2425, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 130 LEU QD1 131 GLN HN 4.87 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= -1,1974, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=1964,1965,1966,
&end
#
# 71 SER HN 72 THR HN 4.65 (#SUP 4.14)
&rst
ixpk= 4, nxpk= 0, iat=1055,1066, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 71 SER HN 71 SER HB2 3.77 (#SUP 4.42)
&rst
ixpk= 4, nxpk= 0, iat=1055,1059, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 68 VAL HB 71 SER HN 4.10 (#SUP 4.06)
&rst
ixpk= 4, nxpk= 0, iat=1022,1055, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 68 VAL QG1 71 SER HN 5.50 (#SUP 1.83)
&rst
ixpk= 1, nxpk= 0, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1024,1025,1026,
&end
#
# 68 VAL QG2 71 SER HN 5.09 (#SUP 4.44)
&rst
ixpk= 4, nxpk= 0, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1028,1029,1030,
&end
#
# 91 GLY HN 92 CYS HN 4.51 (#SUP 4.11)
&rst
ixpk= 4, nxpk= 0, iat=1365,1372, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 91 GLY HA2 92 CYS HN 3.24 (#SUP 4.11)
&rst
ixpk= 4, nxpk= 0, iat=1367,1372, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 87 LEU QD2 92 CYS HN 3.88 (#SUP 6.28)
&rst
ixpk= 6, nxpk= 0, iat= -1,1372, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1314,1315,1316,
&end
#
# 62 ILE HB 92 CYS HN 5.16 (#SUP 4.56)
&rst
ixpk= 4, nxpk= 0, iat= 928,1372, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 121 LEU QD2 122 SER HN 5.13 (#SUP 8.24)
&rst
ixpk= 8, nxpk= 0, iat= -1,1834, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=1828,1829,1830,
&end
#
# 99 VAL HN 100 GLU HN 4.63 (#SUP 6.31)
&rst
ixpk= 6, nxpk= 0, iat=1492,1508, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 99 VAL HN 157 VAL QG2 5.42 (#SUP 4.98)
&rst
ixpk= 4, nxpk= 0, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=2400,2401,2402,
&end
#
# 71 SER HN 71 SER HB3 3.30 (#SUP 4.84)
&rst
ixpk= 4, nxpk= 0, iat=1055,1060, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 106 ASN HA 106 ASN HD21 4.57 (#SUP 4.80)
&rst
ixpk= 4, nxpk= 0, iat=1591,1598, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 120 THR HN 122 SER HN 5.04 (#SUP 6.64)
&rst
ixpk= 6, nxpk= 0, iat=1801,1834, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 122 SER HN 122 SER HB2 3.42 (#SUP 4.20)
&rst
ixpk= 4, nxpk= 0, iat=1834,1838, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 122 SER HN 122 SER HB3 3.44 (#SUP 4.64)
&rst
ixpk= 4, nxpk= 0, iat=1834,1839, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 121 LEU HB3 122 SER HN 4.00 (#SUP 8.63)
&rst
ixpk= 8, nxpk= 0, iat=1820,1834, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 106 ASN HD22 107 SER HN 5.63 (#SUP 4.69)
&rst
ixpk= 4, nxpk= 0, iat=1599,1603, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 106 ASN HA 106 ASN HD22 4.23 (#SUP 5.06)
&rst
ixpk= 5, nxpk= 0, iat=1591,1599, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 124 LEU QD2 125 VAL HN 4.58 (#SUP 5.51)
&rst
ixpk= 5, nxpk= 0, iat= -1,1871, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1865,1866,1867,
&end
#
# 72 THR HN 156 PHE QE 5.47 (#SUP 3.43)
&rst
ixpk= 3, nxpk= 0, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=2380,2384,
&end
#
# 71 SER HA 72 THR HN 3.22 (#SUP 4.62)
&rst
ixpk= 4, nxpk= 0, iat=1057,1066, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 71 SER HB3 72 THR HN 4.42 (#SUP 4.14)
&rst
ixpk= 4, nxpk= 0, iat=1060,1066, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 59 SER HN 88 ARG HN 5.31 (#SUP 4.55)
&rst
ixpk= 4, nxpk= 0, iat= 881,1320, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 59 SER HN 60 PHE QD 4.68 (#SUP 6.43)
&rst
ixpk= 6, nxpk= 0, iat= 881, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 900, 908,
&end
#
# 59 SER HN 60 PHE HA 4.82 (#SUP 5.41)
&rst
ixpk= 5, nxpk= 0, iat= 881, 894, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 59 SER HN 86 ILE HA 4.06 (#SUP 7.72)
&rst
ixpk= 7, nxpk= 0, iat= 881,1284, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 59 SER HN 59 SER HB2 3.89 (#SUP 6.71)
&rst
ixpk= 6, nxpk= 0, iat= 881, 885, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 59 SER HN 59 SER HB3 3.84 (#SUP 6.11)
&rst
ixpk= 6, nxpk= 0, iat= 881, 886, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 59 SER HN 60 PHE HB3 5.55 (#SUP 5.49)
&rst
ixpk= 5, nxpk= 0, iat= 881, 897, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 104 ASP HA 105 ASN HD21 4.96 (#SUP 3.52)
&rst
ixpk= 3, nxpk= 0, iat=1565,1584, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 168 VAL HN 169 GLY HN 4.92 (#SUP 4.07)
&rst
ixpk= 4, nxpk= 0, iat=2570,2586, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 168 VAL QG2 169 GLY HN 5.17 (#SUP 3.81)
&rst
ixpk= 3, nxpk= 0, iat= -1,2586, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=2580,2581,2582,
&end
#
# 59 SER HN 88 ARG HG2 5.50 (#SUP 3.34)
&rst
ixpk= 3, nxpk= 0, iat= 881,1327, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 SER HN 86 ILE QG2 5.50 (#SUP 6.96)
&rst
ixpk= 6, nxpk= 0, iat= 881, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1288,1289,1290,
&end
#
# 59 SER HN 86 ILE QD1 5.48 (#SUP 5.97)
&rst
ixpk= 5, nxpk= 0, iat= 881, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2=1295,1296,1297,
&end
#
# 141 GLN HB2 141 GLN HE21 5.45 (#SUP 3.12)
&rst
ixpk= 3, nxpk= 0, iat=2141,2149, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 168 VAL HB 169 GLY HN 5.45 (#SUP 4.58)
&rst
ixpk= 4, nxpk= 0, iat=2574,2586, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 113 SER HN 114 LYS HN 4.11 (#SUP 5.99)
&rst
ixpk= 5, nxpk= 0, iat=1698,1709, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 111 THR HB 113 SER HN 3.96 (#SUP 5.27)
&rst
ixpk= 5, nxpk= 0, iat=1678,1698, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 113 SER HN 113 SER HB2 3.43 (#SUP 5.77)
&rst
ixpk= 5, nxpk= 0, iat=1698,1702, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 111 THR QG2 113 SER HN 5.37 (#SUP 5.67)
&rst
ixpk= 5, nxpk= 0, iat= -1,1698, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=1680,1681,1682,
&end
#
# 99 VAL QG1 113 SER HN 5.50 (#SUP 2.25)
&rst
ixpk= 2, nxpk= 0, iat= -1,1698, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1498,1499,1500,
&end
#
# 101 THR HN 155 LEU HN 5.23 (#SUP 5.11)
&rst
ixpk= 5, nxpk= 0, iat=1523,2351, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 101 THR HN 154 LEU HA 4.41 (#SUP 6.92)
&rst
ixpk= 6, nxpk= 0, iat=1523,2334, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 101 THR HN 153 ASN HB3 4.28 (#SUP 6.13)
&rst
ixpk= 6, nxpk= 0, iat=1523,2323, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 100 GLU HB2 101 THR HN 4.37 (#SUP 6.49)
&rst
ixpk= 6, nxpk= 0, iat=1512,1523, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 100 GLU HB3 101 THR HN 5.20 (#SUP 6.49)
&rst
ixpk= 6, nxpk= 0, iat=1513,1523, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 99 VAL QG2 101 THR HN 4.47 (#SUP 4.11)
&rst
ixpk= 4, nxpk= 0, iat= -1,1523, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1502,1503,1504,
&end
#
# 48 LYS QD 49 GLN HE21 5.50 (#SUP 4.58)
&rst
ixpk= 4, nxpk= 0, iat= -1, 735, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 711, 712,
&end
#
# 165 ASN HD21 166 PHE HN 5.18 (#SUP 5.90)
&rst
ixpk= 5, nxpk= 0, iat=2530,2535, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 89 PRO HB3 165 ASN HD22 4.88 (#SUP 3.53)
&rst
ixpk= 3, nxpk= 0, iat=1352,2531, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 89 PRO HB2 165 ASN HD22 4.90 (#SUP 4.57)
&rst
ixpk= 4, nxpk= 0, iat=1351,2531, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 33 GLN HE21 42 VAL HB 4.95 (#SUP 5.06)
&rst
ixpk= 5, nxpk= 0, iat= 495, 614, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 33 GLN HE21 42 VAL QG1 4.41 (#SUP 8.08)
&rst
ixpk= 8, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 616, 617, 618,
&end
#
# 33 GLN HE22 42 VAL QG1 4.60 (#SUP 4.98)
&rst
ixpk= 4, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 616, 617, 618,
&end
#
# 91 GLY HN 162 LYS HA 5.42 (#SUP 6.99)
&rst
ixpk= 6, nxpk= 0, iat=1365,2465, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 91 GLY HN 163 LYS HB2 4.17 (#SUP 5.71)
&rst
ixpk= 5, nxpk= 0, iat=1365,2489, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 91 GLY HN 163 LYS HD3 4.81 (#SUP 2.08)
&rst
ixpk= 2, nxpk= 0, iat=1365,2496, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 91 GLY HN 163 LYS HB3 3.90 (#SUP 6.02)
&rst
ixpk= 6, nxpk= 0, iat=1365,2490, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 87 LEU QD2 91 GLY HN 4.53 (#SUP 6.77)
&rst
ixpk= 6, nxpk= 0, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1314,1315,1316,
&end
#
# 9 GLY HN 39 GLU HB3 5.50 (#SUP 4.84)
&rst
ixpk= 4, nxpk= 0, iat= 110, 569, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 ILE HN 87 LEU HN 4.16 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat=1282,1301, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 84 ALA HA 86 ILE HN 5.12 (#SUP 4.91)
&rst
ixpk= 4, nxpk= 0, iat=1250,1282, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 83 ILE HA 86 ILE HN 4.34 (#SUP 5.94)
&rst
ixpk= 5, nxpk= 0, iat=1231,1282, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 86 ILE HN 86 ILE HB 4.07 (#SUP 7.16)
&rst
ixpk= 7, nxpk= 0, iat=1282,1286, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 82 GLU QG 86 ILE HN 5.50 (#SUP 3.64)
&rst
ixpk= 3, nxpk= 0, iat= -1,1282, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1221,1222,
&end
#
# 86 ILE HN 86 ILE HG12 3.59 (#SUP 6.95)
&rst
ixpk= 6, nxpk= 0, iat=1282,1292, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 86 ILE HN 86 ILE QD1 4.08 (#SUP 6.11)
&rst
ixpk= 6, nxpk= 0, iat=1282, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1295,1296,1297,
&end
#
# 85 ARG HD3 86 ILE HN 5.32 (#SUP 9.63)
&rst
ixpk= 9, nxpk= 0, iat=1269,1282, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 86 ILE HN 86 ILE HG13 4.02 (#SUP 7.59)
&rst
ixpk= 7, nxpk= 0, iat=1282,1293, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 37 GLY HN 37 GLY HA3 2.93 (#SUP 4.06)
&rst
ixpk= 4, nxpk= 0, iat= 543, 546, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 36 THR QG2 37 GLY HN 4.69 (#SUP 4.48)
&rst
ixpk= 4, nxpk= 0, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 535, 536, 537,
&end
#
# 35 LEU HB2 36 THR HN 4.24 (#SUP 9.08)
&rst
ixpk= 9, nxpk= 0, iat= 514, 529, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 146 HID HN 148 GLY HN 4.69 (#SUP 6.57)
&rst
ixpk= 6, nxpk= 0, iat=2220,2256, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 148 GLY HN 149 HID HN 3.75 (#SUP 7.11)
&rst
ixpk= 7, nxpk= 0, iat=2256,2263, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 146 HID HB2 148 GLY HN 4.94 (#SUP 5.43)
&rst
ixpk= 5, nxpk= 0, iat=2224,2256, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 147 LEU HB2 148 GLY HN 4.62 (#SUP 9.20)
&rst
ixpk= 9, nxpk= 0, iat=2241,2256, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 147 LEU HG 148 GLY HN 4.86 (#SUP 8.36)
&rst
ixpk= 8, nxpk= 0, iat=2244,2256, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 147 LEU HB3 148 GLY HN 4.62 (#SUP 7.74)
&rst
ixpk= 7, nxpk= 0, iat=2242,2256, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 74 LEU QD1 148 GLY HN 5.50 (#SUP 0.71)
&rst
ixpk= 0, nxpk= 0, iat= -1,2256, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1103,1104,1105,
&end
#
# 7 SER HN 10 GLN HE22 5.50 (#SUP 5.03)
&rst
ixpk= 5, nxpk= 0, iat= 89, 130, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 GLN HE22 61 ASP HB2 5.50 (#SUP 7.30)
&rst
ixpk= 7, nxpk= 0, iat= 130, 916, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 GLN HE22 62 ILE HB 5.50 (#SUP 2.83)
&rst
ixpk= 2, nxpk= 0, iat= 130, 928, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 161 GLY HN 162 LYS HN 4.59 (#SUP 4.69)
&rst
ixpk= 4, nxpk= 0, iat=2456,2463, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 160 THR HB 161 GLY HN 4.13 (#SUP 4.48)
&rst
ixpk= 4, nxpk= 0, iat=2446,2456, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 92 CYS HB3 161 GLY HN 5.42 (#SUP 3.35)
&rst
ixpk= 3, nxpk= 0, iat=1377,2456, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 36 THR QG2 40 GLY HN 5.50 (#SUP 1.44)
&rst
ixpk= 1, nxpk= 0, iat= -1, 579, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 535, 536, 537,
&end
#
# 39 GLU HB2 40 GLY HN 4.33 (#SUP 6.34)
&rst
ixpk= 6, nxpk= 0, iat= 568, 579, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 121 LEU HA 123 GLY HN 4.34 (#SUP 5.77)
&rst
ixpk= 5, nxpk= 0, iat=1817,1845, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 120 THR QG2 123 GLY HN 5.11 (#SUP 4.60)
&rst
ixpk= 4, nxpk= 0, iat= -1,1845, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1=1807,1808,1809,
&end
#
# 121 LEU QD2 123 GLY HN 5.50 (#SUP 4.11)
&rst
ixpk= 4, nxpk= 0, iat= -1,1845, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1828,1829,1830,
&end
#
# 3 ASP HB3 5 GLY HN 5.50 (#SUP 2.47)
&rst
ixpk= 2, nxpk= 0, iat= 36, 63, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 4 PHE HB3 5 GLY HN 5.37 (#SUP 7.47)
&rst
ixpk= 7, nxpk= 0, iat= 48, 63, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 4 PHE HB2 5 GLY HN 5.50 (#SUP 7.22)
&rst
ixpk= 7, nxpk= 0, iat= 47, 63, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 111 THR HN 114 LYS HB2 3.38 (#SUP 4.68)
&rst
ixpk= 4, nxpk= 0, iat=1674,1713, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 109 VAL QG2 111 THR HN 5.90 (#SUP 3.20)
&rst
ixpk= 3, nxpk= 0, iat= -1,1674, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1=1646,1647,1648,
&end
#
# 24 ALA HA 27 GLY HN 4.11 (#SUP 2.99)
&rst
ixpk= 2, nxpk= 0, iat= 339, 388, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 27 GLY HN 27 GLY QA 2.92 (#SUP 2.44)
&rst
ixpk= 2, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 390, 391,
&end
#
# 26 LYS HB3 27 GLY HN 3.58 (#SUP 4.76)
&rst
ixpk= 4, nxpk= 0, iat= 371, 388, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 24 ALA QB 27 GLY HN 5.22 (#SUP 1.21)
&rst
ixpk= 1, nxpk= 0, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 341, 342, 343,
&end
#
# 27 GLY HN 29 VAL QG1 5.50 (#SUP 3.18)
&rst
ixpk= 3, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 420, 421, 422,
&end
#
# 111 THR HB 112 ALA HN 3.24 (#SUP 5.99)
&rst
ixpk= 5, nxpk= 0, iat=1678,1688, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 99 VAL HB 111 THR HB 4.40 (#SUP 4.61)
&rst
ixpk= 4, nxpk= 0, iat=1496,1678, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 130 LEU HG 160 THR HB 4.85 (#SUP 3.30)
&rst
ixpk= 3, nxpk= 0, iat=1962,2446, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 140 VAL HA 144 ARG HN 4.48 (#SUP 2.68)
&rst
ixpk= 2, nxpk= 0, iat=2123,2181, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 140 VAL HA 143 VAL QG1 3.10 (#SUP 5.73)
&rst
ixpk= 5, nxpk= 0, iat=2123, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=2171,2172,2173,
&end
#
# 29 VAL HA 29 VAL QG2 3.65 (#SUP 6.25)
&rst
ixpk= 6, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 424, 425, 426,
&end
#
# 14 VAL QG1 29 VAL HA 3.52 (#SUP 0.56)
&rst
ixpk= 0, nxpk= 0, iat= -1, 416, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 186, 187, 188,
&end
#
# 143 VAL HA 149 HID HN 5.11 (#SUP 5.67)
&rst
ixpk= 5, nxpk= 0, iat=2167,2263, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 143 VAL HA 147 LEU HG 4.65 (#SUP 3.58)
&rst
ixpk= 3, nxpk= 0, iat=2167,2244, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 119 LEU HA 120 THR HA 4.96 (#SUP 4.25)
&rst
ixpk= 4, nxpk= 0, iat=1784,1803, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 7 SER QB 10 GLN HE21 4.61 (#SUP 5.60)
&rst
ixpk= 5, nxpk= 0, iat= -1, 129, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 93, 94,
&end
#
# 22 VAL HA 26 LYS HN 3.69 (#SUP 8.69)
&rst
ixpk= 8, nxpk= 0, iat= 308, 366, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 83 ILE HA 86 ILE HG12 3.40 (#SUP 3.43)
&rst
ixpk= 3, nxpk= 0, iat=1231,1292, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 76 SER HN 76 SER HB3 4.11 (#SUP 5.79)
&rst
ixpk= 5, nxpk= 0, iat=1130,1135, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 76 SER HB3 77 ALA QB 4.58 (#SUP 5.21)
&rst
ixpk= 5, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1145,1146,1147,
&end
#
# 76 SER HB2 78 GLU HN 3.98 (#SUP 4.57)
&rst
ixpk= 4, nxpk= 0, iat=1134,1151, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 76 SER HB2 77 ALA QB 5.04 (#SUP 5.29)
&rst
ixpk= 5, nxpk= 0, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1145,1146,1147,
&end
#
# 47 ILE HA 47 ILE HG12 3.62 (#SUP 5.56)
&rst
ixpk= 5, nxpk= 0, iat= 684, 692, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 15 VAL QG1 47 ILE HA 3.49 (#SUP 7.43)
&rst
ixpk= 7, nxpk= 0, iat= -1, 684, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 202, 203, 204,
&end
#
# 47 ILE HA 47 ILE QD1 4.15 (#SUP 5.42)
&rst
ixpk= 5, nxpk= 0, iat= 684, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 695, 696, 697,
&end
#
# 56 LYS QD 59 SER HB2 4.27 (#SUP 2.60)
&rst
ixpk= 2, nxpk= 0, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 843, 844,
&end
#
# 59 SER HB2 60 PHE HN 4.10 (#SUP 6.46)
&rst
ixpk= 6, nxpk= 0, iat= 885, 892, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 59 SER HB3 60 PHE QD 4.93 (#SUP 6.61)
&rst
ixpk= 6, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 900, 908,
&end
#
# 59 SER HB3 60 PHE HN 3.99 (#SUP 5.15)
&rst
ixpk= 5, nxpk= 0, iat= 886, 892, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 56 LYS HB2 59 SER HB3 3.94 (#SUP 4.40)
&rst
ixpk= 4, nxpk= 0, iat= 837, 886, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 13 ALA HA 43 SER HB2 4.26 (#SUP 4.92)
&rst
ixpk= 4, nxpk= 0, iat= 172, 630, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 13 ALA QB 43 SER HB2 4.44 (#SUP 5.63)
&rst
ixpk= 5, nxpk= 0, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 174, 175, 176,
&end
#
# 89 PRO HA 90 GLY HN 3.23 (#SUP 5.24)
&rst
ixpk= 5, nxpk= 0, iat=1354,1358, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 43 SER HB3 55 HID HE1 5.25 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 631, 826, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 9 GLY HN 36 THR HA 3.57 (#SUP 4.76)
&rst
ixpk= 4, nxpk= 0, iat= 110, 531, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 8 ALA QB 36 THR HA 4.00 (#SUP 2.18)
&rst
ixpk= 2, nxpk= 0, iat= -1, 531, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 104, 105, 106,
&end
#
# 6 ILE QG2 36 THR HA 4.21 (#SUP 2.61)
&rst
ixpk= 2, nxpk= 0, iat= -1, 531, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 76, 77, 78,
&end
#
# 107 SER HB2 109 VAL HN 4.95 (#SUP 6.26)
&rst
ixpk= 6, nxpk= 0, iat=1607,1636, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 107 SER HB2 108 LYS HN 4.20 (#SUP 7.18)
&rst
ixpk= 7, nxpk= 0, iat=1607,1614, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 115 LEU QQD 116 CYS HA 3.26 (#SUP 6.20)
&rst
ixpk= 6, nxpk= 0, iat= -1,1752, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1=1744,1745,1746,1740,1741,1742,
&end
#
# 171 SER QB 172 ARG HA 3.82 (#SUP 3.68)
&rst
ixpk= 3, nxpk= 0, iat= -1,2617, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=2608,2609,
&end
#
# 151 SER HB2 153 ASN HN 4.36 (#SUP 6.71)
&rst
ixpk= 6, nxpk= 0, iat=2299,2318, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 80 LEU HB3 122 SER HB2 4.42 (#SUP 2.69)
&rst
ixpk= 2, nxpk= 0, iat=1190,1838, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 80 LEU QD1 122 SER HB2 4.76 (#SUP 3.95)
&rst
ixpk= 3, nxpk= 0, iat= -1,1838, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1194,1195,1196,
&end
#
# 80 LEU HB2 122 SER HB2 3.61 (#SUP 3.71)
&rst
ixpk= 3, nxpk= 0, iat=1189,1838, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 119 LEU QD1 122 SER HB3 4.37 (#SUP 1.58)
&rst
ixpk= 1, nxpk= 0, iat= -1,1839, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1791,1792,1793,
&end
#
# 81 ALA HN 122 SER HB3 4.90 (#SUP 4.03)
&rst
ixpk= 4, nxpk= 0, iat=1204,1839, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 80 LEU HB3 122 SER HB3 4.36 (#SUP 6.07)
&rst
ixpk= 6, nxpk= 0, iat=1190,1839, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 80 LEU HG 122 SER HB3 5.14 (#SUP 3.61)
&rst
ixpk= 3, nxpk= 0, iat=1192,1839, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 80 LEU HB2 122 SER HB3 3.66 (#SUP 6.88)
&rst
ixpk= 6, nxpk= 0, iat=1189,1839, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 15 VAL HB 65 SER HB2 4.78 (#SUP 4.75)
&rst
ixpk= 4, nxpk= 0, iat= 200, 985, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 151 SER HB3 152 ASP HA 4.84 (#SUP 5.69)
&rst
ixpk= 5, nxpk= 0, iat=2300,2308, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 19 SER QB 72 THR HN 4.58 (#SUP 4.53)
&rst
ixpk= 4, nxpk= 0, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 274, 275,
&end
#
# 19 SER QB 20 SER HN 4.14 (#SUP 3.78)
&rst
ixpk= 3, nxpk= 0, iat= -1, 281, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 274, 275,
&end
#
# 19 SER QB 72 THR QG2 5.50 (#SUP 3.82)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 274, 275,
igr2=1072,1073,1074,
&end
#
# 65 SER HB3 95 LEU HB2 4.78 (#SUP 4.67)
&rst
ixpk= 4, nxpk= 0, iat= 986,1426, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 60 PHE HN 86 ILE HA 4.67 (#SUP 3.64)
&rst
ixpk= 3, nxpk= 0, iat= 892,1284, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 86 ILE HA 86 ILE QD1 4.74 (#SUP 6.07)
&rst
ixpk= 6, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1295,1296,1297,
&end
#
# 73 THR HA 74 LEU HG 4.22 (#SUP 4.97)
&rst
ixpk= 4, nxpk= 0, iat=1082,1101, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 73 THR HA 147 LEU QD1 4.21 (#SUP 0.83)
&rst
ixpk= 0, nxpk= 0, iat=1082, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=2246,2247,2248,
&end
#
# 71 SER HB2 72 THR HN 4.19 (#SUP 4.14)
&rst
ixpk= 4, nxpk= 0, iat=1059,1066, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 68 VAL HB 71 SER HB3 4.43 (#SUP 3.09)
&rst
ixpk= 3, nxpk= 0, iat=1022,1060, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 72 THR QG2 142 SER HB3 4.02 (#SUP 3.71)
&rst
ixpk= 3, nxpk= 0, iat= -1,2159, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1072,1073,1074,
&end
#
# 141 GLN HE22 142 SER HB2 4.91 (#SUP 2.88)
&rst
ixpk= 2, nxpk= 0, iat=2150,2158, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 20 SER HB3 68 VAL QG1 4.39 (#SUP 3.18)
&rst
ixpk= 3, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1024,1025,1026,
&end
#
# 20 SER HB3 68 VAL QG2 4.18 (#SUP 5.99)
&rst
ixpk= 5, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1028,1029,1030,
&end
#
# 16 TRP HB3 20 SER HB3 5.15 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 217, 286, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 103 VAL HA 104 ASP HB2 4.51 (#SUP 4.46)
&rst
ixpk= 4, nxpk= 0, iat=1549,1567, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 117 SER HN 117 SER HB2 3.22 (#SUP 4.59)
&rst
ixpk= 4, nxpk= 0, iat=1761,1765, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 113 SER HN 113 SER HB3 4.02 (#SUP 5.09)
&rst
ixpk= 5, nxpk= 0, iat=1698,1703, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 111 THR QG2 113 SER HB2 5.14 (#SUP 4.49)
&rst
ixpk= 4, nxpk= 0, iat= -1,1702, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1680,1681,1682,
&end
#
# 50 LEU QQD 53 SER HB2 4.84 (#SUP 4.16)
&rst
ixpk= 4, nxpk= 0, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 753, 754, 755, 749, 750, 751,
&end
#
# 68 VAL HA 69 PRO HD2 3.66 (#SUP 8.09)
&rst
ixpk= 8, nxpk= 0, iat=1020,1035, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 28 LEU HG 68 VAL HA 5.00 (#SUP 1.96)
&rst
ixpk= 1, nxpk= 0, iat= 402,1020, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 68 VAL HA 68 VAL QG1 3.77 (#SUP 6.62)
&rst
ixpk= 6, nxpk= 0, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1024,1025,1026,
&end
#
# 53 SER HB3 55 HID HN 5.13 (#SUP 5.27)
&rst
ixpk= 5, nxpk= 0, iat= 800, 816, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 52 GLN QB 53 SER HB3 5.70 (#SUP 6.01)
&rst
ixpk= 6, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 782, 783,
&end
#
# 50 LEU QQD 53 SER HB3 5.33 (#SUP 2.95)
&rst
ixpk= 2, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1= 753, 754, 755, 749, 750, 751,
&end
#
# 98 PRO HA 99 VAL QG1 4.04 (#SUP 6.20)
&rst
ixpk= 6, nxpk= 0, iat=1488, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1498,1499,1500,
&end
#
# 98 PRO HA 99 VAL HN 3.16 (#SUP 7.27)
&rst
ixpk= 7, nxpk= 0, iat=1488,1492, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 44 VAL HA 44 VAL QQG 3.22 (#SUP 5.65)
&rst
ixpk= 5, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 643, 644, 645, 647, 648, 649,
&end
#
# 142 SER HA 146 HID HD2 3.89 (#SUP 5.94)
&rst
ixpk= 5, nxpk= 0, iat=2156,2233, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 112 ALA QB 113 SER HA 4.85 (#SUP 4.62)
&rst
ixpk= 4, nxpk= 0, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1692,1693,1694,
&end
#
# 58 SER HB3 89 PRO HD3 4.64 (#SUP 2.00)
&rst
ixpk= 2, nxpk= 0, iat= 875,1346, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 57 GLU HG2 58 SER HB2 4.70 (#SUP 2.65)
&rst
ixpk= 2, nxpk= 0, iat= 862, 874, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 79 ILE HA 79 ILE QD1 3.33 (#SUP 7.61)
&rst
ixpk= 7, nxpk= 0, iat=1168, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1179,1180,1181,
&end
#
# 78 GLU HB3 79 ILE HA 3.95 (#SUP 5.90)
&rst
ixpk= 5, nxpk= 0, iat=1156,1168, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 79 ILE HA 79 ILE QG1 3.99 (#SUP 6.03)
&rst
ixpk= 6, nxpk= 0, iat=1168, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1176,1177,
&end
#
# 12 VAL HN 42 VAL HA 3.06 (#SUP 4.05)
&rst
ixpk= 4, nxpk= 0, iat= 154, 612, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 14 VAL HA 15 VAL HN 3.00 (#SUP 6.47)
&rst
ixpk= 6, nxpk= 0, iat= 182, 196, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 14 VAL HA 15 VAL HB 4.82 (#SUP 6.05)
&rst
ixpk= 6, nxpk= 0, iat= 182, 200, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 14 VAL HA 14 VAL QG1 3.27 (#SUP 6.94)
&rst
ixpk= 6, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 186, 187, 188,
&end
#
# 6 ILE HA 7 SER QB 4.65 (#SUP 5.09)
&rst
ixpk= 5, nxpk= 0, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 93, 94,
&end
#
# 6 ILE HA 6 ILE HG12 4.10 (#SUP 5.46)
&rst
ixpk= 5, nxpk= 0, iat= 72, 80, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 6 ILE HA 6 ILE HG13 4.08 (#SUP 6.13)
&rst
ixpk= 6, nxpk= 0, iat= 72, 81, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 6 ILE HA 6 ILE QG2 3.42 (#SUP 6.91)
&rst
ixpk= 6, nxpk= 0, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 76, 77, 78,
&end
#
# 157 VAL HA 157 VAL QQG 3.53 (#SUP 7.88)
&rst
ixpk= 7, nxpk= 0, iat=2392, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=2396,2397,2398,2400,2401,2402,
&end
#
# 136 THR HA 137 PRO QD 3.00 (#SUP 9.13)
&rst
ixpk= 9, nxpk= 0, iat=2065, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2078,2079,
&end
#
# 53 SER HA 55 HID HD2 4.35 (#SUP 3.85)
&rst
ixpk= 3, nxpk= 0, iat= 797, 829, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 78 GLU HA 78 GLU HG3 2.99 (#SUP 4.64)
&rst
ixpk= 4, nxpk= 0, iat=1153,1159, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 12 VAL HA 62 ILE HB 4.09 (#SUP 8.16)
&rst
ixpk= 8, nxpk= 0, iat= 156, 928, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 12 VAL HA 12 VAL QG2 3.60 (#SUP 4.39)
&rst
ixpk= 4, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 164, 165, 166,
&end
#
# 59 SER HA 60 PHE HN 3.48 (#SUP 4.20)
&rst
ixpk= 4, nxpk= 0, iat= 883, 892, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 85 ARG HA 85 ARG HD3 4.42 (#SUP 7.82)
&rst
ixpk= 7, nxpk= 0, iat=1260,1269, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 159 ILE HA 159 ILE QG2 3.56 (#SUP 6.28)
&rst
ixpk= 6, nxpk= 0, iat=2425, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=2429,2430,2431,
&end
#
# 22 VAL HN 23 GLU HA 5.47 (#SUP 7.76)
&rst
ixpk= 7, nxpk= 0, iat= 306, 324, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 23 GLU HA 23 GLU HB3 2.71 (#SUP 5.79)
&rst
ixpk= 5, nxpk= 0, iat= 324, 327, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end
#
# 145 GLU HA 146 HID HD2 4.82 (#SUP 6.80)
&rst
ixpk= 6, nxpk= 0, iat=2207,2233, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 144 ARG QD 145 GLU HA 5.18 (#SUP 8.47)
&rst
ixpk= 8, nxpk= 0, iat= -1,2207, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=2191,2192,
&end
#
# 19 SER HA 72 THR QG2 5.50 (#SUP 2.67)
&rst
ixpk= 2, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1072,1073,1074,
&end
#
# 62 ILE HA 91 GLY HA2 5.14 (#SUP 3.99)
&rst
ixpk= 3, nxpk= 0, iat= 926,1367, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 62 ILE HA 87 LEU QD2 4.33 (#SUP 6.25)
&rst
ixpk= 6, nxpk= 0, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1314,1315,1316,
&end
#
# 107 SER HA 109 VAL HN 5.00 (#SUP 6.65)
&rst
ixpk= 6, nxpk= 0, iat=1605,1636, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 139 GLU HA 142 SER HB3 3.90 (#SUP 2.14)
&rst
ixpk= 2, nxpk= 0, iat=2108,2159, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 50 LEU HA 50 LEU QQD 3.82 (#SUP 4.63)
&rst
ixpk= 4, nxpk= 0, iat= 742, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 753, 754, 755, 749, 750, 751,
&end
#
# 140 VAL QG2 141 GLN HA 4.15 (#SUP 5.53)
&rst
ixpk= 5, nxpk= 0, iat= -1,2139, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=2131,2132,2133,
&end
#
# 33 GLN HA 42 VAL QQG 3.30 (#SUP 9.86)
&rst
ixpk= 9, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr2= 616, 617, 618, 620, 621, 622,
&end
#
# 32 LEU HB3 33 GLN HA 4.45 (#SUP 5.35)
&rst
ixpk= 5, nxpk= 0, iat= 469, 485, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 50 LEU QQD 82 GLU HA 4.16 (#SUP 1.41)
&rst
ixpk= 1, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 753, 754, 755, 749, 750, 751,
&end
#
# 61 ASP HA 88 ARG HG3 4.33 (#SUP 5.25)
&rst
ixpk= 5, nxpk= 0, iat= 914,1328, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 106 ASN HB3 107 SER HA 4.89 (#SUP 5.82)
&rst
ixpk= 5, nxpk= 0, iat=1594,1605, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 55 HID HA 56 LYS HN 3.57 (#SUP 7.16)
&rst
ixpk= 7, nxpk= 0, iat= 818, 833, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 47 ILE QG2 75 HID HA 4.25 (#SUP 3.73)
&rst
ixpk= 3, nxpk= 0, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 688, 689, 690,
&end
#
# 28 LEU HA 28 LEU QD2 4.54 (#SUP 4.85)
&rst
ixpk= 4, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 408, 409, 410,
&end
#
# 28 LEU HA 32 LEU HN 4.72 (#SUP 2.46)
&rst
ixpk= 2, nxpk= 0, iat= 397, 464, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 115 LEU HA 115 LEU HG 4.15 (#SUP 5.81)
&rst
ixpk= 5, nxpk= 0, iat=1733,1738, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 32 LEU HA 32 LEU QD2 3.19 (#SUP 5.35)
&rst
ixpk= 5, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 477, 478, 479,
&end
#
# 51 LEU HA 53 SER HN 4.16 (#SUP 2.70)
&rst
ixpk= 2, nxpk= 0, iat= 761, 795, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 50 LEU HN 51 LEU HA 5.42 (#SUP 6.66)
&rst
ixpk= 6, nxpk= 0, iat= 740, 761, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 57 GLU HG3 58 SER HA 5.12 (#SUP 2.20)
&rst
ixpk= 2, nxpk= 0, iat= 863, 872, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 92 CYS HA 163 LYS HN 3.27 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat=1374,2485, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 92 CYS HA 162 LYS HG2 4.12 (#SUP 8.31)
&rst
ixpk= 8, nxpk= 0, iat=1374,2470, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 87 LEU QD2 92 CYS HA 4.47 (#SUP 6.55)
&rst
ixpk= 6, nxpk= 0, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1314,1315,1316,
&end
#
# 29 VAL QG2 30 ASP HA 3.75 (#SUP 4.82)
&rst
ixpk= 4, nxpk= 0, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 424, 425, 426,
&end
#
# 55 HID HA 56 LYS QD 4.19 (#SUP 5.23)
&rst
ixpk= 5, nxpk= 0, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 843, 844,
&end
#
# 108 LYS HA 108 LYS QG 3.90 (#SUP 6.68)
&rst
ixpk= 6, nxpk= 0, iat=1616, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1621,1622,
&end
#
# 52 GLN HA 52 GLN QB 2.74 (#SUP 3.42)
&rst
ixpk= 3, nxpk= 0, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,
igr2= 782, 783,
&end
#
# 160 THR HA 160 THR QG2 3.88 (#SUP 4.97)
&rst
ixpk= 4, nxpk= 0, iat=2444, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=2448,2449,2450,
&end
#
# 135 LEU HA 156 PHE QE 4.43 (#SUP 4.22)
&rst
ixpk= 4, nxpk= 0, iat=2046, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=2380,2384,
&end
#
# 6 ILE QG2 7 SER HA 4.09 (#SUP 5.67)
&rst
ixpk= 5, nxpk= 0, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 76, 77, 78,
&end
#
# 39 GLU HA 39 GLU QG 2.76 (#SUP 5.91)
&rst
ixpk= 5, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,
igr2= 571, 572,
&end
#
# 10 GLN HA 11 PHE QD 4.55 (#SUP 7.04)
&rst
ixpk= 7, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 142, 150,
&end
#
# 10 GLN HA 61 ASP HB2 5.14 (#SUP 7.13)
&rst
ixpk= 7, nxpk= 0, iat= 119, 916, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 112 ALA HA 115 LEU HN 4.48 (#SUP 5.14)
&rst
ixpk= 5, nxpk= 0, iat=1690,1731, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 126 GLU HA 126 GLU QG 2.90 (#SUP 7.60)
&rst
ixpk= 7, nxpk= 0, iat=1889, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2=1894,1895,
&end
#
# 41 ARG HA 42 VAL HN 2.84 (#SUP 8.91)
&rst
ixpk= 8, nxpk= 0, iat= 588, 610, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, &end
#
# 111 THR HA 112 ALA HA 4.66 (#SUP 4.55)
&rst
ixpk= 4, nxpk= 0, iat=1676,1690, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 112 ALA HA 115 LEU HB2 3.57 (#SUP 1.50)
&rst
ixpk= 1, nxpk= 0, iat=1690,1735, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 112 ALA HA 157 VAL QQG 3.99 (#SUP 1.23)
&rst
ixpk= 1, nxpk= 0, iat=1690, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=2396,2397,2398,2400,2401,2402,
&end
#
# 99 VAL QG1 112 ALA HA 3.37 (#SUP 7.13)
&rst
ixpk= 7, nxpk= 0, iat= -1,1690, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1498,1499,1500,
&end
#
# 131 GLN HA 132 ARG HN 2.67 (#SUP 8.35)
&rst
ixpk= 8, nxpk= 0, iat=1976,1991, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17, &end
#
# 131 GLN HA 131 GLN QG 3.42 (#SUP 8.93)
&rst
ixpk= 8, nxpk= 0, iat=1976, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1981,1982,
&end
#
# 49 GLN HA 52 GLN HN 4.24 (#SUP 3.29)
&rst
ixpk= 3, nxpk= 0, iat= 725, 778, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 77 ALA HA 80 LEU HG 4.28 (#SUP 5.40)
&rst
ixpk= 5, nxpk= 0, iat=1143,1192, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 77 ALA HA 81 ALA HN 3.67 (#SUP 5.67)
&rst
ixpk= 5, nxpk= 0, iat=1143,1204, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 77 ALA HA 80 LEU HB3 4.16 (#SUP 3.99)
&rst
ixpk= 3, nxpk= 0, iat=1143,1190, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 77 ALA HA 79 ILE QD1 5.31 (#SUP 4.63)
&rst
ixpk= 4, nxpk= 0, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2=1179,1180,1181,
&end
#
# 84 ALA HA 87 LEU QD1 3.55 (#SUP 2.79)
&rst
ixpk= 2, nxpk= 0, iat=1250, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1310,1311,1312,
&end
#
# 99 VAL QG2 100 GLU HA 3.76 (#SUP 6.89)
&rst
ixpk= 6, nxpk= 0, iat= -1,1510, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1502,1503,1504,
&end
#
# 88 ARG HA 88 ARG HD2 4.76 (#SUP 7.99)
&rst
ixpk= 7, nxpk= 0, iat=1322,1330, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 88 ARG HA 89 PRO HB3 5.10 (#SUP 7.53)
&rst
ixpk= 7, nxpk= 0, iat=1322,1352, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 88 ARG HA 88 ARG HG3 3.79 (#SUP 9.20)
&rst
ixpk= 9, nxpk= 0, iat=1322,1328, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 80 LEU HB3 81 ALA HA 4.40 (#SUP 3.73)
&rst
ixpk= 3, nxpk= 0, iat=1190,1206, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 118 ALA HA 121 LEU QQD 3.97 (#SUP 3.72)
&rst
ixpk= 3, nxpk= 0, iat=1774, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2=1828,1829,1830,1824,1825,1826,
&end
#
# 97 GLU HA 98 PRO QD 3.40 (#SUP 7.06)
&rst
ixpk= 7, nxpk= 0, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1479,1480,
&end
#
# 135 LEU QD2 155 LEU HA 4.36 (#SUP 7.94)
&rst
ixpk= 7, nxpk= 0, iat= -1,2353, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=2057,2058,2059,
&end
#
# 2 ALA HA 6 ILE QD1 4.75 (#SUP 2.89)
&rst
ixpk= 2, nxpk= 0, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 83, 84, 85,
&end
#
# 97 GLU HA 97 GLU QG 4.06 (#SUP 7.69)
&rst
ixpk= 7, nxpk= 0, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1470,1471,
&end
#
# 133 GLU HA 134 PRO QD 2.71 (#SUP 9.99)
&rst
ixpk= 9, nxpk= 0, iat=2017, -1, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,
igr2=2031,2032,
&end
#
# 93 LEU QD1 95 LEU HA 5.45 (#SUP 6.79)
&rst
ixpk= 6, nxpk= 0, iat= -1,1424, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=1392,1393,1394,
&end
#
# 104 ASP HA 104 ASP HB2 2.95 (#SUP 4.07)
&rst
ixpk= 4, nxpk= 0, iat=1565,1567, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 104 ASP HA 111 THR QG2 4.59 (#SUP 3.82)
&rst
ixpk= 3, nxpk= 0, iat=1565, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1680,1681,1682,
&end
#
# 90 GLY HA3 165 ASN HA 5.06 (#SUP 6.48)
&rst
ixpk= 6, nxpk= 0, iat=1361,2523, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 17 ASP HA 46 ASN HD21 4.91 (#SUP 4.88)
&rst
ixpk= 4, nxpk= 0, iat= 238, 677, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 125 VAL HN 164 PRO HD2 4.58 (#SUP 6.63)
&rst
ixpk= 6, nxpk= 0, iat=1871,2508, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 125 VAL QG1 164 PRO HD2 4.42 (#SUP 7.65)
&rst
ixpk= 7, nxpk= 0, iat= -1,2508, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1877,1878,1879,
&end
#
# 24 ALA QB 69 PRO HD2 4.70 (#SUP 2.48)
&rst
ixpk= 2, nxpk= 0, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 341, 342, 343,
&end
#
# 68 VAL QG2 69 PRO HD2 4.42 (#SUP 5.47)
&rst
ixpk= 5, nxpk= 0, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1028,1029,1030,
&end
#
# 16 TRP HD1 46 ASN HA 5.32 (#SUP 5.56)
&rst
ixpk= 5, nxpk= 0, iat= 220, 670, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 15 VAL QG1 46 ASN HA 4.59 (#SUP 7.23)
&rst
ixpk= 7, nxpk= 0, iat= -1, 670, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 202, 203, 204,
&end
#
# 73 THR HN 98 PRO QD 4.79 (#SUP 2.25)
&rst
ixpk= 2, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1479,1480,
&end
#
# 98 PRO QD 156 PHE QE 4.40 (#SUP 4.27)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1479,1480,
igr2=2380,2384,
&end
#
# 88 ARG HB2 89 PRO HD2 4.83 (#SUP 7.16)
&rst
ixpk= 7, nxpk= 0, iat=1324,1345, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 58 SER HA 89 PRO HD3 4.21 (#SUP 5.21)
&rst
ixpk= 5, nxpk= 0, iat= 872,1346, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 27 GLY HA2 29 VAL HN 4.74 (#SUP 6.86)
&rst
ixpk= 6, nxpk= 0, iat= 390, 414, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 147 LEU HN 148 GLY HA2 4.52 (#SUP 4.24)
&rst
ixpk= 4, nxpk= 0, iat=2237,2258, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 5 GLY HA2 6 ILE QD1 4.98 (#SUP 5.94)
&rst
ixpk= 5, nxpk= 0, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 83, 84, 85,
&end
#
# 26 LYS HB3 27 GLY HA2 4.48 (#SUP 1.61)
&rst
ixpk= 1, nxpk= 0, iat= 371, 390, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 27 GLY HA2 30 ASP HB3 4.14 (#SUP 5.15)
&rst
ixpk= 5, nxpk= 0, iat= 390, 435, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 5 GLY HA3 6 ILE QD1 5.28 (#SUP 6.51)
&rst
ixpk= 6, nxpk= 0, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 83, 84, 85,
&end
#
# 47 ILE HG13 66 GLY HA3 5.38 (#SUP 2.10)
&rst
ixpk= 2, nxpk= 0, iat= 693, 995, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 90 GLY HA2 91 GLY HN 3.29 (#SUP 4.08)
&rst
ixpk= 4, nxpk= 0, iat=1360,1365, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 127 VAL HA 161 GLY HA2 3.59 (#SUP 6.45)
&rst
ixpk= 6, nxpk= 0, iat=1904,2458, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 127 VAL QG2 161 GLY HA2 3.80 (#SUP 5.60)
&rst
ixpk= 5, nxpk= 0, iat= -1,2458, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1912,1913,1914,
&end
#
# 125 VAL HN 161 GLY HA2 4.83 (#SUP 6.47)
&rst
ixpk= 6, nxpk= 0, iat=1871,2458, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 87 LEU QD2 91 GLY HA3 3.95 (#SUP 4.80)
&rst
ixpk= 4, nxpk= 0, iat= -1,1368, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1314,1315,1316,
&end
#
# 91 GLY HA3 162 LYS HA 5.44 (#SUP 5.02)
&rst
ixpk= 5, nxpk= 0, iat=1368,2465, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 127 VAL HA 161 GLY HA3 3.60 (#SUP 7.32)
&rst
ixpk= 7, nxpk= 0, iat=1904,2459, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 160 THR QG2 161 GLY HA2 4.60 (#SUP 5.04)
&rst
ixpk= 5, nxpk= 0, iat= -1,2458, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=2448,2449,2450,
&end
#
# 127 VAL QG1 161 GLY HA3 5.43 (#SUP 7.30)
&rst
ixpk= 7, nxpk= 0, iat= -1,2459, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=1908,1909,1910,
&end
#
# 127 VAL QG2 161 GLY HA3 3.65 (#SUP 5.16)
&rst
ixpk= 5, nxpk= 0, iat= -1,2459, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1912,1913,1914,
&end
#
# 9 GLY HA2 39 GLU HB2 4.02 (#SUP 8.89)
&rst
ixpk= 8, nxpk= 0, iat= 112, 568, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 70 GLY HA3 139 GLU HG3 4.38 (#SUP 2.00)
&rst
ixpk= 2, nxpk= 0, iat=1051,2114, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 9 GLY HA3 39 GLU HB2 3.96 (#SUP 6.69)
&rst
ixpk= 6, nxpk= 0, iat= 113, 568, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 10 GLN HN 40 GLY HA3 3.79 (#SUP 5.94)
&rst
ixpk= 5, nxpk= 0, iat= 117, 582, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 84 ALA QB 123 GLY HA2 5.50 (#SUP 2.96)
&rst
ixpk= 2, nxpk= 0, iat= -1,1847, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1252,1253,1254,
&end
#
# 123 GLY HA3 124 LEU QQD 5.40 (#SUP 3.61)
&rst
ixpk= 3, nxpk= 0, iat=1848, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr2=1865,1866,1867,1861,1862,1863,
&end
#
# 67 LEU HB2 68 VAL HN 5.12 (#SUP 5.49)
&rst
ixpk= 5, nxpk= 0, iat=1003,1018, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 88 ARG HA 88 ARG HD3 4.67 (#SUP 7.86)
&rst
ixpk= 7, nxpk= 0, iat=1322,1331, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 41 ARG HD2 42 VAL HN 4.38 (#SUP 6.73)
&rst
ixpk= 6, nxpk= 0, iat= 596, 610, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 11 PHE HZ 41 ARG HD2 4.59 (#SUP 6.05)
&rst
ixpk= 6, nxpk= 0, iat= 146, 596, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 11 PHE HZ 41 ARG HD3 4.45 (#SUP 5.23)
&rst
ixpk= 5, nxpk= 0, iat= 146, 597, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 41 ARG HA 41 ARG HD3 4.72 (#SUP 6.08)
&rst
ixpk= 6, nxpk= 0, iat= 588, 597, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 10 GLN HB3 61 ASP HB3 4.20 (#SUP 5.38)
&rst
ixpk= 5, nxpk= 0, iat= 122, 917, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 61 ASP HB3 88 ARG HB2 4.66 (#SUP 1.05)
&rst
ixpk= 1, nxpk= 0, iat= 917,1324, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 17 ASP HB2 47 ILE QD1 5.31 (#SUP 4.88)
&rst
ixpk= 4, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 695, 696, 697,
&end
#
# 57 GLU HG3 85 ARG HD2 5.03 (#SUP 2.61)
&rst
ixpk= 2, nxpk= 0, iat= 863,1268, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 35 LEU HB2 35 LEU QD2 3.91 (#SUP 6.41)
&rst
ixpk= 6, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 523, 524, 525,
&end
#
# 13 ALA HN 62 ILE HB 5.19 (#SUP 8.36)
&rst
ixpk= 8, nxpk= 0, iat= 170, 928, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 62 ILE HB 63 ILE HA 5.32 (#SUP 6.30)
&rst
ixpk= 6, nxpk= 0, iat= 928, 945, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 62 ILE HB 62 ILE QD1 3.29 (#SUP 4.68)
&rst
ixpk= 4, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 937, 938, 939,
&end
#
# 12 VAL QG1 62 ILE HB 3.78 (#SUP 5.32)
&rst
ixpk= 5, nxpk= 0, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 160, 161, 162,
&end
#
# 74 LEU HB2 74 LEU QQD 4.23 (#SUP 6.10)
&rst
ixpk= 6, nxpk= 0, iat=1098, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1107,1108,1109,1103,1104,1105,
&end
#
# 129 GLU HA 159 ILE HB 4.50 (#SUP 5.74)
&rst
ixpk= 5, nxpk= 0, iat=1942,2427, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 159 ILE HB 159 ILE QD1 3.09 (#SUP 6.68)
&rst
ixpk= 6, nxpk= 0, iat=2427, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2=2436,2437,2438,
&end
#
# 35 LEU HB3 35 LEU QD1 3.65 (#SUP 6.17)
&rst
ixpk= 6, nxpk= 0, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 519, 520, 521,
&end
#
# 28 LEU HB3 68 VAL QG1 4.74 (#SUP 2.88)
&rst
ixpk= 2, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1024,1025,1026,
&end
#
# 60 PHE HB2 87 LEU QD2 5.50 (#SUP 5.24)
&rst
ixpk= 5, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1314,1315,1316,
&end
#
# 127 VAL QG1 128 LYS QE 5.19 (#SUP 4.61)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1=1908,1909,1910,
igr2=1931,1932,
&end
#
# 152 ASP HB2 153 ASN HN 4.40 (#SUP 8.63)
&rst
ixpk= 8, nxpk= 0, iat=2310,2318, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 104 ASP HN 104 ASP HB2 3.98 (#SUP 4.47)
&rst
ixpk= 4, nxpk= 0, iat=1563,1567, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 104 ASP HB2 111 THR QG2 5.24 (#SUP 3.82)
&rst
ixpk= 3, nxpk= 0, iat=1567, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1680,1681,1682,
&end
#
# 93 LEU QD2 94 PHE HB3 4.85 (#SUP 7.09)
&rst
ixpk= 7, nxpk= 0, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1396,1397,1398,
&end
#
# 13 ALA HN 60 PHE HB3 4.52 (#SUP 3.87)
&rst
ixpk= 3, nxpk= 0, iat= 170, 897, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 60 PHE HB3 63 ILE HG13 5.04 (#SUP 1.10)
&rst
ixpk= 1, nxpk= 0, iat= 897, 954, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 124 LEU HB2 125 VAL QG1 5.50 (#SUP 6.68)
&rst
ixpk= 6, nxpk= 0, iat=1856, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1877,1878,1879,
&end
#
# 156 PHE HB2 157 VAL QQG 5.44 (#SUP 5.59)
&rst
ixpk= 5, nxpk= 0, iat=2374, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2=2396,2397,2398,2400,2401,2402,
&end
#
# 156 PHE HB3 157 VAL QQG 5.29 (#SUP 7.47)
&rst
ixpk= 7, nxpk= 0, iat=2375, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr2=2396,2397,2398,2400,2401,2402,
&end
#
# 120 THR HN 121 LEU HB2 5.29 (#SUP 6.41)
&rst
ixpk= 6, nxpk= 0, iat=1801,1819, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 121 LEU HB2 122 SER HN 4.70 (#SUP 8.94)
&rst
ixpk= 8, nxpk= 0, iat=1819,1834, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 121 LEU HB2 121 LEU QQD 3.98 (#SUP 7.19)
&rst
ixpk= 7, nxpk= 0, iat=1819, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1828,1829,1830,1824,1825,1826,
&end
#
# 121 LEU HB3 121 LEU QQD 3.68 (#SUP 7.43)
&rst
ixpk= 7, nxpk= 0, iat=1820, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1828,1829,1830,1824,1825,1826,
&end
#
# 51 LEU HB3 51 LEU QD1 3.94 (#SUP 4.48)
&rst
ixpk= 4, nxpk= 0, iat= 764, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 768, 769, 770,
&end
#
# 62 ILE HA 63 ILE HB 4.80 (#SUP 6.82)
&rst
ixpk= 6, nxpk= 0, iat= 926, 947, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 63 ILE HB 93 LEU HA 4.23 (#SUP 5.40)
&rst
ixpk= 5, nxpk= 0, iat= 947,1385, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 63 ILE HB 87 LEU QD1 3.36 (#SUP 3.91)
&rst
ixpk= 3, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1310,1311,1312,
&end
#
# 13 ALA QB 63 ILE HB 5.26 (#SUP 4.70)
&rst
ixpk= 4, nxpk= 0, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 174, 175, 176,
&end
#
# 22 VAL HA 25 LEU HB3 4.88 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= 308, 352, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 27 GLY HA2 30 ASP HB2 3.85 (#SUP 2.78)
&rst
ixpk= 2, nxpk= 0, iat= 390, 434, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 30 ASP HB2 31 LYS HN 3.75 (#SUP 6.72)
&rst
ixpk= 6, nxpk= 0, iat= 434, 442, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 29 VAL HN 30 ASP HB3 5.02 (#SUP 6.96)
&rst
ixpk= 6, nxpk= 0, iat= 414, 435, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 30 ASP HB3 31 LYS HN 3.55 (#SUP 7.99)
&rst
ixpk= 7, nxpk= 0, iat= 435, 442, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 153 ASN HN 153 ASN HB3 3.83 (#SUP 6.69)
&rst
ixpk= 6, nxpk= 0, iat=2318,2323, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 90 GLY HN 165 ASN HB2 4.53 (#SUP 4.97)
&rst
ixpk= 4, nxpk= 0, iat=1358,2525, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 165 ASN HN 165 ASN HB2 3.43 (#SUP 6.82)
&rst
ixpk= 6, nxpk= 0, iat=2521,2525, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 165 ASN HN 165 ASN HB3 3.50 (#SUP 6.20)
&rst
ixpk= 6, nxpk= 0, iat=2521,2526, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 TRP HZ2 46 ASN HB2 4.86 (#SUP 4.86)
&rst
ixpk= 4, nxpk= 0, iat= 225, 672, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 46 ASN HB3 50 LEU HN 4.42 (#SUP 5.77)
&rst
ixpk= 5, nxpk= 0, iat= 673, 740, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 45 GLU HA 46 ASN HB3 5.00 (#SUP 5.96)
&rst
ixpk= 5, nxpk= 0, iat= 655, 673, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 11 PHE HB2 41 ARG QB 4.72 (#SUP 6.60)
&rst
ixpk= 6, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 590, 591,
&end
#
# 11 PHE HB3 60 PHE QD 4.34 (#SUP 6.56)
&rst
ixpk= 6, nxpk= 0, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 900, 908,
&end
#
# 11 PHE HB3 41 ARG QB 4.73 (#SUP 6.03)
&rst
ixpk= 6, nxpk= 0, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 590, 591,
&end
#
# 17 ASP HA 47 ILE HB 5.10 (#SUP 5.12)
&rst
ixpk= 5, nxpk= 0, iat= 238, 686, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 139 GLU HG2 156 PHE QE 5.10 (#SUP 4.75)
&rst
ixpk= 4, nxpk= 0, iat=2113, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=2380,2384,
&end
#
# 139 GLU HN 139 GLU HG3 4.27 (#SUP 7.43)
&rst
ixpk= 7, nxpk= 0, iat=2106,2114, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 139 GLU HG3 156 PHE QD 5.12 (#SUP 1.50)
&rst
ixpk= 1, nxpk= 0, iat=2114, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=2378,2386,
&end
#
# 83 ILE HB 84 ALA QB 5.12 (#SUP 4.68)
&rst
ixpk= 4, nxpk= 0, iat=1233, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=1252,1253,1254,
&end
#
# 51 LEU QD1 78 GLU HG2 4.26 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat= -1,1158, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 768, 769, 770,
&end
#
# 129 GLU HA 129 GLU HG3 3.95 (#SUP 6.33)
&rst
ixpk= 6, nxpk= 0, iat=1942,1948, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 129 GLU HG3 157 VAL QQG 3.96 (#SUP 3.51)
&rst
ixpk= 3, nxpk= 0, iat=1948, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=2396,2397,2398,2400,2401,2402,
&end
#
# 39 GLU HN 39 GLU QG 3.98 (#SUP 7.20)
&rst
ixpk= 7, nxpk= 0, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 571, 572,
&end
#
# 38 ASN QB 39 GLU QG 3.99 (#SUP 7.34)
&rst
ixpk= 7, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 554, 555,
igr2= 571, 572,
&end
#
# 100 GLU HG2 155 LEU HN 5.50 (#SUP 4.40)
&rst
ixpk= 4, nxpk= 0, iat=1515,2351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 GLU HA 82 GLU QG 3.87 (#SUP 3.24)
&rst
ixpk= 3, nxpk= 0, iat=1216, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1221,1222,
&end
#
# 162 LYS HB2 163 LYS HN 4.42 (#SUP 6.56)
&rst
ixpk= 6, nxpk= 0, iat=2467,2485, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 162 LYS HB2 162 LYS QE 4.78 (#SUP 8.75)
&rst
ixpk= 8, nxpk= 0, iat=2467, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=2476,2477,
&end
#
# 126 GLU QG 162 LYS HB2 4.54 (#SUP 3.59)
&rst
ixpk= 3, nxpk= 0, iat= -1,2467, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1894,1895,
&end
#
# 125 VAL QG2 162 LYS HB2 5.10 (#SUP 4.75)
&rst
ixpk= 4, nxpk= 0, iat= -1,2467, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1881,1882,1883,
&end
#
# 162 LYS HB3 163 LYS HN 5.29 (#SUP 6.96)
&rst
ixpk= 6, nxpk= 0, iat=2468,2485, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 126 GLU QG 162 LYS HB3 4.97 (#SUP 4.13)
&rst
ixpk= 4, nxpk= 0, iat= -1,2468, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1894,1895,
&end
#
# 125 VAL QG2 162 LYS HB3 5.09 (#SUP 7.19)
&rst
ixpk= 7, nxpk= 0, iat= -1,2468, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1881,1882,1883,
&end
#
# 67 LEU QD2 96 LYS HB3 5.30 (#SUP 1.14)
&rst
ixpk= 1, nxpk= 0, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1012,1013,1014,
&end
#
# 133 GLU HA 133 GLU HG2 3.47 (#SUP 7.85)
&rst
ixpk= 7, nxpk= 0, iat=2017,2022, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 96 LYS QE 133 GLU HG2 4.03 (#SUP 2.66)
&rst
ixpk= 2, nxpk= 0, iat= -1,2022, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1454,1455,
&end
#
# 75 HID HD2 79 ILE HB 4.74 (#SUP 7.98)
&rst
ixpk= 7, nxpk= 0, iat=1126,1170, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 150 GLU HA 150 GLU HG2 3.54 (#SUP 5.16)
&rst
ixpk= 5, nxpk= 0, iat=2282,2287, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 12 VAL HN 12 VAL HB 3.55 (#SUP 6.87)
&rst
ixpk= 6, nxpk= 0, iat= 154, 158, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 144 ARG QD 150 GLU HG3 4.38 (#SUP 2.38)
&rst
ixpk= 2, nxpk= 0, iat= -1,2288, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=2191,2192,
&end
#
# 128 LYS HB2 129 GLU HN 4.22 (#SUP 7.68)
&rst
ixpk= 7, nxpk= 0, iat=1922,1940, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 97 GLU QG 99 VAL HA 5.13 (#SUP 1.93)
&rst
ixpk= 1, nxpk= 0, iat= -1,1494, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1470,1471,
&end
#
# 74 LEU HA 97 GLU QG 4.73 (#SUP 1.08)
&rst
ixpk= 1, nxpk= 0, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1470,1471,
&end
#
# 97 GLU QG 98 PRO QD 4.43 (#SUP 7.15)
&rst
ixpk= 7, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1470,1471,
igr2=1479,1480,
&end
#
# 97 GLU QG 157 VAL QQG 4.67 (#SUP 1.59)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1470,1471,
igr2=2396,2397,2398,2400,2401,2402,
&end
#
# 97 GLU QG 115 LEU QQD 4.80 (#SUP 3.16)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
igr1=1470,1471,
igr2=1744,1745,1746,1740,1741,1742,
&end
#
# 74 LEU HA 97 GLU HB3 4.09 (#SUP 3.25)
&rst
ixpk= 3, nxpk= 0, iat=1096,1468, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 97 GLU HB3 98 PRO QD 3.56 (#SUP 6.25)
&rst
ixpk= 6, nxpk= 0, iat=1468, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1479,1480,
&end
#
# 97 GLU HB3 115 LEU QQD 3.66 (#SUP 3.77)
&rst
ixpk= 3, nxpk= 0, iat=1468, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=1744,1745,1746,1740,1741,1742,
&end
#
# 142 SER HA 145 GLU HG2 4.74 (#SUP 2.70)
&rst
ixpk= 2, nxpk= 0, iat=2156,2212, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 145 GLU HA 145 GLU HG2 3.80 (#SUP 6.15)
&rst
ixpk= 6, nxpk= 0, iat=2207,2212, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 145 GLU HA 145 GLU HG3 3.67 (#SUP 6.38)
&rst
ixpk= 6, nxpk= 0, iat=2207,2213, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 33 GLN HA 33 GLN HG3 3.64 (#SUP 6.85)
&rst
ixpk= 6, nxpk= 0, iat= 485, 491, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 158 GLN HG3 159 ILE HA 4.84 (#SUP 7.80)
&rst
ixpk= 7, nxpk= 0, iat=2414,2425, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 52 GLN HN 52 GLN QG 3.51 (#SUP 5.88)
&rst
ixpk= 5, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 785, 786,
&end
#
# 52 GLN QB 52 GLN QG 2.61 (#SUP 5.55)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr1= 782, 783,
igr2= 785, 786,
&end
#
# 49 GLN HN 49 GLN HG3 3.92 (#SUP 7.67)
&rst
ixpk= 7, nxpk= 0, iat= 723, 731, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 49 GLN HA 49 GLN HG3 3.80 (#SUP 5.57)
&rst
ixpk= 5, nxpk= 0, iat= 725, 731, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 49 GLN HB3 49 GLN HG2 2.97 (#SUP 6.20)
&rst
ixpk= 6, nxpk= 0, iat= 728, 730, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 29 VAL QG2 33 GLN HG3 3.42 (#SUP 6.85)
&rst
ixpk= 6, nxpk= 0, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 424, 425, 426,
&end
#
# 43 SER HB3 45 GLU HG2 4.79 (#SUP 2.85)
&rst
ixpk= 2, nxpk= 0, iat= 631, 660, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 43 SER HB3 45 GLU HG3 4.93 (#SUP 3.22)
&rst
ixpk= 3, nxpk= 0, iat= 631, 661, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 14 VAL HB 44 VAL QQG 3.45 (#SUP 5.33)
&rst
ixpk= 5, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 643, 644, 645, 647, 648, 649,
&end
#
# 41 ARG QB 42 VAL HA 5.21 (#SUP 6.79)
&rst
ixpk= 6, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 590, 591,
&end
#
# 41 ARG QB 42 VAL HN 4.02 (#SUP 7.90)
&rst
ixpk= 7, nxpk= 0, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 590, 591,
&end
#
# 11 PHE HZ 41 ARG QB 4.50 (#SUP 7.93)
&rst
ixpk= 7, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 590, 591,
&end
#
# 133 GLU HN 133 GLU HB3 3.75 (#SUP 7.72)
&rst
ixpk= 7, nxpk= 0, iat=2015,2020, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 132 ARG HB2 133 GLU HN 3.97 (#SUP 8.00)
&rst
ixpk= 8, nxpk= 0, iat=1995,2015, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 132 ARG HN 132 ARG HB2 3.85 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat=1991,1995, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 132 ARG HB2 157 VAL HA 4.86 (#SUP 6.29)
&rst
ixpk= 6, nxpk= 0, iat=1995,2392, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 131 GLN HA 132 ARG HB2 4.94 (#SUP 5.96)
&rst
ixpk= 5, nxpk= 0, iat=1976,1995, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 132 ARG HB2 132 ARG QD 3.72 (#SUP 5.53)
&rst
ixpk= 5, nxpk= 0, iat=1995, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=2001,2002,
&end
#
# 132 ARG HB3 133 GLU HN 4.14 (#SUP 7.88)
&rst
ixpk= 7, nxpk= 0, iat=1996,2015, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 132 ARG HB3 132 ARG QD 3.67 (#SUP 5.15)
&rst
ixpk= 5, nxpk= 0, iat=1996, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=2001,2002,
&end
#
# 45 GLU HB3 50 LEU HA 4.84 (#SUP 1.27)
&rst
ixpk= 1, nxpk= 0, iat= 658, 742, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 141 GLN QG 142 SER HN 4.32 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= -1,2154, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=2144,2145,
&end
#
# 137 PRO HA 141 GLN QG 4.78 (#SUP 5.87)
&rst
ixpk= 5, nxpk= 0, iat=2087, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=2144,2145,
&end
#
# 141 GLN HB3 141 GLN QG 2.71 (#SUP 7.92)
&rst
ixpk= 7, nxpk= 0, iat=2142, -1, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,
igr2=2144,2145,
&end
#
# 141 GLN QG 141 GLN HE22 4.07 (#SUP 5.02)
&rst
ixpk= 5, nxpk= 0, iat= -1,2150, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=2144,2145,
&end
#
# 138 GLU HA 141 GLN QG 3.32 (#SUP 1.31)
&rst
ixpk= 1, nxpk= 0, iat=2093, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=2144,2145,
&end
#
# 103 VAL HB 104 ASP HN 3.76 (#SUP 5.05)
&rst
ixpk= 5, nxpk= 0, iat=1551,1563, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 168 VAL HB 170 SER HN 3.38 (#SUP 1.64)
&rst
ixpk= 1, nxpk= 0, iat=2574,2593, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 15 VAL HA 45 GLU HB3 4.50 (#SUP 6.93)
&rst
ixpk= 6, nxpk= 0, iat= 198, 658, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 16 TRP HB2 20 SER HB2 4.94 (#SUP 2.75)
&rst
ixpk= 2, nxpk= 0, iat= 216, 285, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 16 TRP HB2 25 LEU HB3 4.70 (#SUP 6.17)
&rst
ixpk= 6, nxpk= 0, iat= 216, 352, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 16 TRP HB2 25 LEU QD2 4.69 (#SUP 8.35)
&rst
ixpk= 8, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 360, 361, 362,
&end
#
# 16 TRP HB3 17 ASP HN 3.86 (#SUP 5.31)
&rst
ixpk= 5, nxpk= 0, iat= 217, 236, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 62 ILE HA 92 CYS HB2 4.05 (#SUP 7.15)
&rst
ixpk= 7, nxpk= 0, iat= 926,1376, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 91 GLY HA3 92 CYS HB2 5.16 (#SUP 4.02)
&rst
ixpk= 4, nxpk= 0, iat=1368,1376, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 62 ILE HG13 92 CYS HB2 4.29 (#SUP 4.88)
&rst
ixpk= 4, nxpk= 0, iat= 935,1376, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 16 TRP HB3 20 SER HB2 4.99 (#SUP 4.07)
&rst
ixpk= 4, nxpk= 0, iat= 217, 285, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 21 PRO HB2 24 ALA HN 4.21 (#SUP 9.77)
&rst
ixpk= 9, nxpk= 0, iat= 299, 337, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 134 PRO HB2 155 LEU QD2 4.18 (#SUP 4.63)
&rst
ixpk= 4, nxpk= 0, iat=2037, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=2364,2365,2366,
&end
#
# 15 VAL HN 15 VAL HB 3.70 (#SUP 4.92)
&rst
ixpk= 4, nxpk= 0, iat= 196, 200, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 131 GLN HN 131 GLN HB2 4.00 (#SUP 8.62)
&rst
ixpk= 8, nxpk= 0, iat=1974,1978, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 100 GLU HN 100 GLU HB2 3.46 (#SUP 6.60)
&rst
ixpk= 6, nxpk= 0, iat=1508,1512, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 31 LYS HN 31 LYS HB2 3.64 (#SUP 8.81)
&rst
ixpk= 8, nxpk= 0, iat= 442, 446, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 134 PRO HB3 135 LEU HN 3.76 (#SUP 5.52)
&rst
ixpk= 5, nxpk= 0, iat=2038,2044, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 56 LYS HB3 57 GLU HN 3.96 (#SUP 5.65)
&rst
ixpk= 5, nxpk= 0, iat= 838, 855, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 125 VAL QG1 164 PRO HB3 3.88 (#SUP 3.00)
&rst
ixpk= 3, nxpk= 0, iat= -1,2515, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1877,1878,1879,
&end
#
# 100 GLU HN 100 GLU HB3 3.52 (#SUP 7.80)
&rst
ixpk= 7, nxpk= 0, iat=1508,1513, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 55 HID HB2 86 ILE HB 5.30 (#SUP 3.75)
&rst
ixpk= 3, nxpk= 0, iat= 820,1286, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 131 GLN HE22 158 GLN HB2 4.35 (#SUP 5.15)
&rst
ixpk= 5, nxpk= 0, iat=1987,2410, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 22 VAL HN 22 VAL HB 3.22 (#SUP 7.32)
&rst
ixpk= 7, nxpk= 0, iat= 306, 310, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 157 VAL QQG 158 GLN HB3 4.94 (#SUP 4.61)
&rst
ixpk= 4, nxpk= 0, iat= -1,2411, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1=2396,2397,2398,2400,2401,2402,
&end
#
# 55 HID HB3 56 LYS QD 4.34 (#SUP 6.03)
&rst
ixpk= 6, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 843, 844,
&end
#
# 10 GLN HN 10 GLN HB2 3.90 (#SUP 7.74)
&rst
ixpk= 7, nxpk= 0, iat= 117, 121, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 10 GLN HB2 11 PHE HA 5.11 (#SUP 6.69)
&rst
ixpk= 6, nxpk= 0, iat= 121, 136, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 129 GLU HN 129 GLU HB2 3.54 (#SUP 7.60)
&rst
ixpk= 7, nxpk= 0, iat=1940,1944, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 129 GLU HB3 130 LEU HN 4.32 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat=1945,1955, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 98 PRO HB2 156 PHE QE 5.21 (#SUP 5.03)
&rst
ixpk= 5, nxpk= 0, iat=1485, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=2380,2384,
&end
#
# 98 PRO HB2 99 VAL HN 4.38 (#SUP 6.33)
&rst
ixpk= 6, nxpk= 0, iat=1485,1492, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 98 PRO HB3 99 VAL HN 4.33 (#SUP 6.29)
&rst
ixpk= 6, nxpk= 0, iat=1486,1492, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 49 GLN HB2 50 LEU HN 4.52 (#SUP 7.39)
&rst
ixpk= 7, nxpk= 0, iat= 727, 740, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 145 GLU HB3 146 HID HD2 4.58 (#SUP 6.74)
&rst
ixpk= 6, nxpk= 0, iat=2210,2233, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 145 GLU HB3 146 HID HA 4.63 (#SUP 6.57)
&rst
ixpk= 6, nxpk= 0, iat=2210,2222, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 67 LEU HA 96 LYS QD 5.37 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1451,1452,
&end
#
# 15 VAL QG1 47 ILE HG13 4.14 (#SUP 3.97)
&rst
ixpk= 3, nxpk= 0, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 202, 203, 204,
&end
#
# 96 LYS QD 156 PHE HA 5.50 (#SUP 2.32)
&rst
ixpk= 2, nxpk= 0, iat= -1,2372, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1451,1452,
&end
#
# 39 GLU HB3 40 GLY HN 4.18 (#SUP 5.96)
&rst
ixpk= 5, nxpk= 0, iat= 569, 579, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 144 ARG HN 144 ARG QB 3.48 (#SUP 8.42)
&rst
ixpk= 8, nxpk= 0, iat=2181, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=2185,2186,
&end
#
# 144 ARG QB 144 ARG QD 3.71 (#SUP 6.87)
&rst
ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=2185,2186,
igr2=2191,2192,
&end
#
# 18 LYS HD2 146 HID HE1 5.10 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 258,2230, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 88 ARG HB3 89 PRO HD3 4.47 (#SUP 9.77)
&rst
ixpk= 9, nxpk= 0, iat=1325,1346, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 88 ARG HB3 88 ARG HD2 3.84 (#SUP 7.28)
&rst
ixpk= 7, nxpk= 0, iat=1325,1330, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 88 ARG HB3 89 PRO HD2 4.76 (#SUP 8.24)
&rst
ixpk= 8, nxpk= 0, iat=1325,1345, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 47 ILE HN 47 ILE HG13 5.06 (#SUP 7.13)
&rst
ixpk= 7, nxpk= 0, iat= 682, 693, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 47 ILE HA 47 ILE HG13 3.99 (#SUP 5.37)
&rst
ixpk= 5, nxpk= 0, iat= 684, 693, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 135 LEU HA 139 GLU HB2 4.52 (#SUP 6.84)
&rst
ixpk= 6, nxpk= 0, iat=2046,2110, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 136 THR QG2 139 GLU HB2 4.76 (#SUP 6.86)
&rst
ixpk= 6, nxpk= 0, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=2069,2070,2071,
&end
#
# 57 GLU HN 57 GLU HB2 3.39 (#SUP 5.96)
&rst
ixpk= 5, nxpk= 0, iat= 855, 859, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 138 GLU HB3 138 GLU HG3 2.56 (#SUP 5.06)
&rst
ixpk= 5, nxpk= 0, iat=2096,2099, r1= 1.30, r2= 1.80, r3= 2.56, r4= 3.06, &end
#
# 57 GLU HB3 85 ARG HD2 4.47 (#SUP 3.33)
&rst
ixpk= 3, nxpk= 0, iat= 860,1268, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 135 LEU QD2 139 GLU HB3 4.75 (#SUP 6.13)
&rst
ixpk= 6, nxpk= 0, iat= -1,2111, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=2057,2058,2059,
&end
#
# 110 LYS QG 114 LYS QD 3.83 (#SUP 1.83)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1659,1660,
igr2=1719,1720,
&end
#
# 47 ILE QG2 48 LYS QD 4.72 (#SUP 6.74)
&rst
ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 688, 689, 690,
igr2= 711, 712,
&end
#
# 126 GLU HA 128 LYS QD 5.07 (#SUP 2.07)
&rst
ixpk= 2, nxpk= 0, iat=1889, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1928,1929,
&end
#
# 26 LYS QD 30 ASP HB3 4.63 (#SUP 1.49)
&rst
ixpk= 1, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 376, 377,
&end
#
# 75 HID HB2 76 SER HN 5.16 (#SUP 6.81)
&rst
ixpk= 6, nxpk= 0, iat=1117,1130, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 75 HID HB3 76 SER HN 4.42 (#SUP 5.48)
&rst
ixpk= 5, nxpk= 0, iat=1118,1130, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 82 GLU HB2 83 ILE HN 5.03 (#SUP 5.43)
&rst
ixpk= 5, nxpk= 0, iat=1218,1229, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 82 GLU HN 82 GLU HB2 3.91 (#SUP 5.02)
&rst
ixpk= 5, nxpk= 0, iat=1214,1218, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 21 PRO HB2 23 GLU HB2 3.24 (#SUP 4.46)
&rst
ixpk= 4, nxpk= 0, iat= 299, 326, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 23 GLU HN 23 GLU HB2 3.06 (#SUP 9.27)
&rst
ixpk= 9, nxpk= 0, iat= 322, 326, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 23 GLU HB2 24 ALA HN 3.57 (#SUP 7.53)
&rst
ixpk= 7, nxpk= 0, iat= 326, 337, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 23 GLU HB2 23 GLU QG 2.60 (#SUP 6.41)
&rst
ixpk= 6, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 329, 330,
&end
#
# 50 LEU QQD 82 GLU HB3 3.52 (#SUP 2.65)
&rst
ixpk= 2, nxpk= 0, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 753, 754, 755, 749, 750, 751,
&end
#
# 76 SER HN 79 ILE QG1 4.97 (#SUP 3.32)
&rst
ixpk= 3, nxpk= 0, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1176,1177,
&end
#
# 4 PHE HB3 6 ILE HG13 5.48 (#SUP 3.96)
&rst
ixpk= 3, nxpk= 0, iat= 48, 81, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 33 GLN HB2 42 VAL QQG 3.97 (#SUP 7.59)
&rst
ixpk= 7, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 616, 617, 618, 620, 621, 622,
&end
#
# 62 ILE HA 62 ILE HG12 4.18 (#SUP 7.43)
&rst
ixpk= 7, nxpk= 0, iat= 926, 934, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 63 ILE HN 63 ILE HG12 4.51 (#SUP 6.91)
&rst
ixpk= 6, nxpk= 0, iat= 943, 953, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 62 ILE HN 62 ILE HG12 4.41 (#SUP 8.50)
&rst
ixpk= 8, nxpk= 0, iat= 924, 934, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 144 ARG HA 144 ARG HG2 3.57 (#SUP 6.45)
&rst
ixpk= 6, nxpk= 0, iat=2183,2188, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 61 ASP HB2 62 ILE HG12 4.20 (#SUP 6.74)
&rst
ixpk= 6, nxpk= 0, iat= 916, 934, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 62 ILE HN 63 ILE HG12 4.42 (#SUP 5.10)
&rst
ixpk= 5, nxpk= 0, iat= 924, 953, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 144 ARG HA 144 ARG HG3 3.77 (#SUP 6.80)
&rst
ixpk= 6, nxpk= 0, iat=2183,2189, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 62 ILE HA 62 ILE HG13 4.16 (#SUP 7.44)
&rst
ixpk= 7, nxpk= 0, iat= 926, 935, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 61 ASP HB2 62 ILE HG13 4.11 (#SUP 6.37)
&rst
ixpk= 6, nxpk= 0, iat= 916, 935, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 63 ILE HG13 64 LEU HN 5.50 (#SUP 6.76)
&rst
ixpk= 6, nxpk= 0, iat= 954, 962, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 ILE HG13 87 LEU HB3 4.80 (#SUP 3.09)
&rst
ixpk= 3, nxpk= 0, iat= 954,1306, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 13 ALA HN 63 ILE HG13 5.37 (#SUP 6.75)
&rst
ixpk= 6, nxpk= 0, iat= 170, 954, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 141 GLN HA 141 GLN HB3 2.83 (#SUP 5.81)
&rst
ixpk= 5, nxpk= 0, iat=2139,2142, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 140 VAL QG2 141 GLN HB3 4.76 (#SUP 5.04)
&rst
ixpk= 5, nxpk= 0, iat= -1,2142, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=2131,2132,2133,
&end
#
# 163 LYS HA 164 PRO QG 3.98 (#SUP 4.61)
&rst
ixpk= 4, nxpk= 0, iat=2487, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=2511,2512,
&end
#
# 125 VAL QG1 164 PRO QG 3.41 (#SUP 6.83)
&rst
ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1877,1878,1879,
igr2=2511,2512,
&end
#
# 133 GLU HA 134 PRO HG3 4.36 (#SUP 6.86)
&rst
ixpk= 6, nxpk= 0, iat=2017,2035, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 85 ARG HG2 86 ILE HN 5.15 (#SUP 8.30)
&rst
ixpk= 8, nxpk= 0, iat=1265,1282, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 147 LEU HA 147 LEU HG 4.26 (#SUP 6.87)
&rst
ixpk= 6, nxpk= 0, iat=2239,2244, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 88 ARG HN 88 ARG HG3 4.22 (#SUP 9.95)
&rst
ixpk= 9, nxpk= 0, iat=1320,1328, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 64 LEU HN 64 LEU HG 4.83 (#SUP 7.35)
&rst
ixpk= 7, nxpk= 0, iat= 962, 969, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 41 ARG HG3 42 VAL HN 4.03 (#SUP 6.52)
&rst
ixpk= 6, nxpk= 0, iat= 594, 610, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 88 ARG HN 88 ARG HG2 4.14 (#SUP 9.20)
&rst
ixpk= 9, nxpk= 0, iat=1320,1327, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 41 ARG HN 41 ARG HG2 4.81 (#SUP 6.59)
&rst
ixpk= 6, nxpk= 0, iat= 586, 593, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 41 ARG HG2 60 PHE QE 4.96 (#SUP 2.05)
&rst
ixpk= 2, nxpk= 0, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 902, 906,
&end
#
# 41 ARG HA 41 ARG HG2 3.85 (#SUP 7.73)
&rst
ixpk= 7, nxpk= 0, iat= 588, 593, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 129 GLU HA 159 ILE HG13 4.88 (#SUP 7.20)
&rst
ixpk= 7, nxpk= 0, iat=1942,2434, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 152 ASP HA 154 LEU HG 5.22 (#SUP 2.72)
&rst
ixpk= 2, nxpk= 0, iat=2308,2339, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 95 LEU QD2 115 LEU QQD 4.85 (#SUP 2.76)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=1435,1436,1437,
igr2=1744,1745,1746,1740,1741,1742,
&end
#
# 97 GLU HA 98 PRO HG2 4.75 (#SUP 6.93)
&rst
ixpk= 6, nxpk= 0, iat=1465,1482, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 132 ARG HG2 133 GLU HN 3.92 (#SUP 7.80)
&rst
ixpk= 7, nxpk= 0, iat=1998,2015, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 132 ARG HN 132 ARG HG2 4.53 (#SUP 9.97)
&rst
ixpk= 9, nxpk= 0, iat=1991,1998, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 130 LEU HG 160 THR HN 5.22 (#SUP 5.40)
&rst
ixpk= 5, nxpk= 0, iat=1962,2442, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 74 LEU HN 74 LEU HG 4.55 (#SUP 9.01)
&rst
ixpk= 9, nxpk= 0, iat=1094,1101, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 155 LEU HN 155 LEU HG 5.37 (#SUP 7.30)
&rst
ixpk= 7, nxpk= 0, iat=2351,2358, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 97 GLU HA 98 PRO HG3 4.55 (#SUP 7.11)
&rst
ixpk= 7, nxpk= 0, iat=1465,1483, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 115 LEU QQD 159 ILE HB 3.94 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat= -1,2427, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1744,1745,1746,1740,1741,1742,
&end
#
# 115 LEU HN 115 LEU QQD 4.80 (#SUP 8.61)
&rst
ixpk= 8, nxpk= 0, iat=1731, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=1744,1745,1746,1740,1741,1742,
&end
#
# 115 LEU HA 115 LEU QQD 4.74 (#SUP 4.80)
&rst
ixpk= 4, nxpk= 0, iat=1733, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=1744,1745,1746,1740,1741,1742,
&end
#
# 64 LEU HA 67 LEU HG 4.17 (#SUP 4.60)
&rst
ixpk= 4, nxpk= 0, iat= 964,1006, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 135 LEU QD2 140 VAL HN 5.08 (#SUP 5.84)
&rst
ixpk= 5, nxpk= 0, iat= -1,2121, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=2057,2058,2059,
&end
#
# 116 CYS HN 116 CYS HB2 3.14 (#SUP 5.94)
&rst
ixpk= 5, nxpk= 0, iat=1750,1754, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 116 CYS HB2 127 VAL QG1 4.33 (#SUP 2.91)
&rst
ixpk= 2, nxpk= 0, iat=1754, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1908,1909,1910,
&end
#
# 115 LEU QQD 116 CYS HB2 4.36 (#SUP 6.34)
&rst
ixpk= 6, nxpk= 0, iat= -1,1754, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1744,1745,1746,1740,1741,1742,
&end
#
# 115 LEU QQD 116 CYS HB3 4.43 (#SUP 4.51)
&rst
ixpk= 4, nxpk= 0, iat= -1,1755, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1744,1745,1746,1740,1741,1742,
&end
#
# 114 LYS HN 114 LYS QG 4.74 (#SUP 5.84)
&rst
ixpk= 5, nxpk= 0, iat=1709, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1716,1717,
&end
#
# 130 LEU HB2 130 LEU QD2 3.37 (#SUP 6.73)
&rst
ixpk= 6, nxpk= 0, iat=1959, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1968,1969,1970,
&end
#
# 35 LEU HN 35 LEU QD2 4.91 (#SUP 8.25)
&rst
ixpk= 8, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 523, 524, 525,
&end
#
# 4 PHE HB3 67 LEU QD1 4.97 (#SUP 1.54)
&rst
ixpk= 1, nxpk= 0, iat= 48, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1008,1009,1010,
&end
#
# 64 LEU HA 67 LEU QD2 4.83 (#SUP 5.34)
&rst
ixpk= 5, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1012,1013,1014,
&end
#
# 80 LEU QD1 119 LEU HN 5.30 (#SUP 5.50)
&rst
ixpk= 5, nxpk= 0, iat= -1,1782, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1194,1195,1196,
&end
#
# 80 LEU QD1 81 ALA HN 4.90 (#SUP 6.21)
&rst
ixpk= 6, nxpk= 0, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1194,1195,1196,
&end
#
# 80 LEU HB3 80 LEU QD1 4.03 (#SUP 5.92)
&rst
ixpk= 5, nxpk= 0, iat=1190, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1194,1195,1196,
&end
#
# 119 LEU QD1 161 GLY HN 5.09 (#SUP 2.25)
&rst
ixpk= 2, nxpk= 0, iat= -1,2456, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1791,1792,1793,
&end
#
# 64 LEU QD2 65 SER HN 5.07 (#SUP 7.43)
&rst
ixpk= 7, nxpk= 0, iat= -1, 981, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 975, 976, 977,
&end
#
# 50 LEU HN 50 LEU HG 4.62 (#SUP 7.02)
&rst
ixpk= 7, nxpk= 0, iat= 740, 747, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 31 LYS HN 31 LYS QG 4.79 (#SUP 9.79)
&rst
ixpk= 9, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 449, 450,
&end
#
# 48 LYS HA 48 LYS HG2 4.07 (#SUP 7.23)
&rst
ixpk= 7, nxpk= 0, iat= 703, 708, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 17 ASP HB3 48 LYS HG2 5.50 (#SUP 1.17)
&rst
ixpk= 1, nxpk= 0, iat= 241, 708, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 LYS QG 31 LYS QE 4.05 (#SUP 4.82)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 449, 450,
igr2= 455, 456,
&end
#
# 15 VAL HB 50 LEU QQD 4.07 (#SUP 0.67)
&rst
ixpk= 0, nxpk= 0, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 753, 754, 755, 749, 750, 751,
&end
#
# 4 PHE QE 32 LEU HG 4.48 (#SUP 1.50)
&rst
ixpk= 1, nxpk= 0, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 53, 57,
&end
#
# 116 CYS HA 119 LEU QD2 4.09 (#SUP 7.22)
&rst
ixpk= 7, nxpk= 0, iat=1752, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1795,1796,1797,
&end
#
# 119 LEU HB3 119 LEU QD2 3.66 (#SUP 5.40)
&rst
ixpk= 5, nxpk= 0, iat=1787, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1795,1796,1797,
&end
#
# 56 LYS HN 56 LYS QG 4.00 (#SUP 9.00)
&rst
ixpk= 9, nxpk= 0, iat= 833, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 840, 841,
&end
#
# 56 LYS HA 56 LYS QG 3.94 (#SUP 7.32)
&rst
ixpk= 7, nxpk= 0, iat= 835, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 840, 841,
&end
#
# 107 SER HB2 108 LYS QG 4.83 (#SUP 6.51)
&rst
ixpk= 6, nxpk= 0, iat=1607, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1621,1622,
&end
#
# 22 VAL QG1 26 LYS HG2 4.80 (#SUP 3.10)
&rst
ixpk= 3, nxpk= 0, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 312, 313, 314,
&end
#
# 86 ILE HG13 87 LEU HN 4.67 (#SUP 8.97)
&rst
ixpk= 8, nxpk= 0, iat=1293,1301, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 162 LYS HN 162 LYS HG3 4.88 (#SUP 7.02)
&rst
ixpk= 7, nxpk= 0, iat=2463,2471, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 87 LEU QD2 88 ARG HD3 5.50 (#SUP 5.23)
&rst
ixpk= 5, nxpk= 0, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1314,1315,1316,
&end
#
# 60 PHE HB3 87 LEU QD2 5.18 (#SUP 8.23)
&rst
ixpk= 8, nxpk= 0, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=1314,1315,1316,
&end
#
# 87 LEU HN 87 LEU QD2 4.73 (#SUP 7.43)
&rst
ixpk= 7, nxpk= 0, iat=1301, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1314,1315,1316,
&end
#
# 87 LEU QD2 91 GLY HA2 4.07 (#SUP 8.11)
&rst
ixpk= 8, nxpk= 0, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1314,1315,1316,
&end
#
# 135 LEU QD1 139 GLU HB2 4.13 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=2053,2054,2055,
&end
#
# 135 LEU QD1 140 VAL QG2 4.42 (#SUP 5.34)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87,
igr1=2053,2054,2055,
igr2=2131,2132,2133,
&end
#
# 64 LEU QD1 67 LEU QD2 4.31 (#SUP 4.05)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 971, 972, 973,
igr2=1012,1013,1014,
&end
#
# 63 ILE HN 64 LEU QD1 4.49 (#SUP 7.28)
&rst
ixpk= 7, nxpk= 0, iat= 943, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 971, 972, 973,
&end
#
# 18 LYS HG2 19 SER HN 4.86 (#SUP 4.85)
&rst
ixpk= 4, nxpk= 0, iat= 255, 270, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 18 LYS HG2 19 SER HA 4.62 (#SUP 3.54)
&rst
ixpk= 3, nxpk= 0, iat= 255, 272, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 140 VAL HN 140 VAL QG1 3.30 (#SUP 6.36)
&rst
ixpk= 6, nxpk= 0, iat=2121, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=2127,2128,2129,
&end
#
# 25 LEU HA 28 LEU QD1 4.23 (#SUP 3.09)
&rst
ixpk= 3, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 404, 405, 406,
&end
#
# 14 VAL HB 29 VAL QG1 3.41 (#SUP 1.50)
&rst
ixpk= 1, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 420, 421, 422,
&end
#
# 25 LEU QD1 29 VAL QG1 4.50 (#SUP 5.20)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 356, 357, 358,
igr2= 420, 421, 422,
&end
#
# 25 LEU QD2 29 VAL QG1 3.88 (#SUP 7.62)
&rst
ixpk= 7, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 360, 361, 362,
igr2= 420, 421, 422,
&end
#
# 155 LEU HA 155 LEU QD2 3.94 (#SUP 7.41)
&rst
ixpk= 7, nxpk= 0, iat=2353, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=2364,2365,2366,
&end
#
# 51 LEU QD2 52 GLN HE22 4.49 (#SUP 3.69)
&rst
ixpk= 3, nxpk= 0, iat= -1, 791, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 772, 773, 774,
&end
#
# 135 LEU HA 154 LEU QQD 4.82 (#SUP 3.09)
&rst
ixpk= 3, nxpk= 0, iat=2046, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=2345,2346,2347,2341,2342,2343,
&end
#
# 135 LEU QD2 154 LEU QQD 5.46 (#SUP 7.37)
&rst
ixpk= 7, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.84, r4= 9.34,
igr1=2057,2058,2059,
igr2=2345,2346,2347,2341,2342,2343,
&end
#
# 127 VAL QG1 128 LYS HG2 5.50 (#SUP 6.91)
&rst
ixpk= 6, nxpk= 0, iat= -1,1925, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1908,1909,1910,
&end
#
# 25 LEU HA 68 VAL QG1 4.04 (#SUP 2.28)
&rst
ixpk= 2, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1024,1025,1026,
&end
#
# 28 LEU HG 68 VAL QG1 3.66 (#SUP 3.41)
&rst
ixpk= 3, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1024,1025,1026,
&end
#
# 50 LEU HN 51 LEU QD1 4.31 (#SUP 5.86)
&rst
ixpk= 5, nxpk= 0, iat= 740, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 768, 769, 770,
&end
#
# 51 LEU QD1 78 GLU HB3 4.05 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat= -1,1156, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 768, 769, 770,
&end
#
# 31 LYS QD 32 LEU QD1 3.81 (#SUP 3.56)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 452, 453,
igr2= 473, 474, 475,
&end
#
# 25 LEU HB3 25 LEU QD2 3.31 (#SUP 6.87)
&rst
ixpk= 6, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 360, 361, 362,
&end
#
# 94 PHE QD 130 LEU QD1 3.53 (#SUP 4.44)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1410,1418,
igr2=1964,1965,1966,
&end
#
# 35 LEU QD1 36 THR HN 4.69 (#SUP 8.37)
&rst
ixpk= 8, nxpk= 0, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 519, 520, 521,
&end
#
# 126 GLU HN 127 VAL QG2 3.87 (#SUP 7.94)
&rst
ixpk= 7, nxpk= 0, iat=1887, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1912,1913,1914,
&end
#
# 127 VAL HA 127 VAL QG2 3.31 (#SUP 5.35)
&rst
ixpk= 5, nxpk= 0, iat=1904, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1912,1913,1914,
&end
#
# 120 THR HB 127 VAL QG2 3.81 (#SUP 2.45)
&rst
ixpk= 2, nxpk= 0, iat=1805, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1912,1913,1914,
&end
#
# 111 THR HA 111 THR QG2 3.38 (#SUP 4.35)
&rst
ixpk= 4, nxpk= 0, iat=1676, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1680,1681,1682,
&end
#
# 157 VAL QQG 158 GLN HN 3.42 (#SUP 6.18)
&rst
ixpk= 6, nxpk= 0, iat= -1,2406, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=2396,2397,2398,2400,2401,2402,
&end
#
# 36 THR HB 42 VAL QQG 3.81 (#SUP 1.30)
&rst
ixpk= 1, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 616, 617, 618, 620, 621, 622,
&end
#
# 33 GLN HG3 42 VAL QQG 3.96 (#SUP 7.24)
&rst
ixpk= 7, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 616, 617, 618, 620, 621, 622,
&end
#
# 42 VAL HN 42 VAL QQG 3.69 (#SUP 7.48)
&rst
ixpk= 7, nxpk= 0, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 616, 617, 618, 620, 621, 622,
&end
#
# 42 VAL HA 42 VAL QQG 3.11 (#SUP 6.39)
&rst
ixpk= 6, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 616, 617, 618, 620, 621, 622,
&end
#
# 29 VAL HA 42 VAL QQG 3.94 (#SUP 1.05)
&rst
ixpk= 1, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 616, 617, 618, 620, 621, 622,
&end
#
# 14 VAL QG1 64 LEU HB3 4.21 (#SUP 4.88)
&rst
ixpk= 4, nxpk= 0, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 186, 187, 188,
&end
#
# 80 LEU QD2 81 ALA HN 4.92 (#SUP 7.78)
&rst
ixpk= 7, nxpk= 0, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=1198,1199,1200,
&end
#
# 80 LEU QD2 83 ILE HG13 4.70 (#SUP 4.54)
&rst
ixpk= 4, nxpk= 0, iat= -1,1240, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1198,1199,1200,
&end
#
# 136 THR QG2 137 PRO QD 3.59 (#SUP 8.18)
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=2069,2070,2071,
igr2=2078,2079,
&end
#
# 36 THR QG2 41 ARG HN 3.57 (#SUP 3.45)
&rst
ixpk= 3, nxpk= 0, iat= -1, 586, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 535, 536, 537,
&end
#
# 140 VAL HA 140 VAL QG2 3.45 (#SUP 5.35)
&rst
ixpk= 5, nxpk= 0, iat=2123, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=2131,2132,2133,
&end
#
# 167 GLU HN 168 VAL QQG 4.44 (#SUP 4.91)
&rst
ixpk= 4, nxpk= 0, iat=2555, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2576,2577,2578,2580,2581,2582,
&end
#
# 168 VAL QQG 169 GLY QA 3.62 (#SUP 1.98)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=2576,2577,2578,2580,2581,2582,
igr2=2588,2589,
&end
#
# 99 VAL HA 99 VAL QG1 3.24 (#SUP 5.64)
&rst
ixpk= 5, nxpk= 0, iat=1494, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1498,1499,1500,
&end
#
# 73 THR HN 73 THR QG2 4.33 (#SUP 6.79)
&rst
ixpk= 6, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1086,1087,1088,
&end
#
# 73 THR QG2 74 LEU HB2 4.95 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1086,1087,1088,
&end
#
# 47 ILE QG2 73 THR QG2 3.82 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 688, 689, 690,
igr2=1086,1087,1088,
&end
#
# 47 ILE QD1 73 THR QG2 3.42 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 695, 696, 697,
igr2=1086,1087,1088,
&end
#
# 72 THR QG2 143 VAL HB 4.92 (#SUP 3.72)
&rst
ixpk= 3, nxpk= 0, iat= -1,2169, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=1072,1073,1074,
&end
#
# 72 THR HN 72 THR QG2 4.18 (#SUP 5.38)
&rst
ixpk= 5, nxpk= 0, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1072,1073,1074,
&end
#
# 103 VAL HA 103 VAL QG1 3.35 (#SUP 4.80)
&rst
ixpk= 4, nxpk= 0, iat=1549, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1553,1554,1555,
&end
#
# 29 VAL QG2 33 GLN HE22 4.44 (#SUP 3.17)
&rst
ixpk= 3, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 424, 425, 426,
&end
#
# 12 VAL HA 12 VAL QG1 3.52 (#SUP 5.03)
&rst
ixpk= 5, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 160, 161, 162,
&end
#
# 14 VAL HA 14 VAL QG2 3.77 (#SUP 6.71)
&rst
ixpk= 6, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 190, 191, 192,
&end
#
# 102 ALA QB 153 ASN HB2 4.04 (#SUP 5.62)
&rst
ixpk= 5, nxpk= 0, iat= -1,2322, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1541,1542,1543,
&end
#
# 102 ALA QB 153 ASN HB3 4.11 (#SUP 5.93)
&rst
ixpk= 5, nxpk= 0, iat= -1,2323, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1541,1542,1543,
&end
#
# 102 ALA QB 103 VAL QG2 4.62 (#SUP 4.37)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1=1541,1542,1543,
igr2=1557,1558,1559,
&end
#
# 22 VAL HN 22 VAL QG1 3.88 (#SUP 7.65)
&rst
ixpk= 7, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 312, 313, 314,
&end
#
# 15 VAL QG2 45 GLU HG3 4.34 (#SUP 3.87)
&rst
ixpk= 3, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 206, 207, 208,
&end
#
# 100 GLU HN 109 VAL QG2 4.95 (#SUP 5.62)
&rst
ixpk= 5, nxpk= 0, iat=1508, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1646,1647,1648,
&end
#
# 24 ALA HN 24 ALA QB 3.22 (#SUP 7.31)
&rst
ixpk= 7, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 341, 342, 343,
&end
#
# 21 PRO HD2 24 ALA QB 4.28 (#SUP 6.07)
&rst
ixpk= 6, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 341, 342, 343,
&end
#
# 24 ALA QB 68 VAL QG1 4.14 (#SUP 4.24)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 341, 342, 343,
igr2=1024,1025,1026,
&end
#
# 24 ALA QB 68 VAL QG2 3.47 (#SUP 6.26)
&rst
ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 341, 342, 343,
igr2=1028,1029,1030,
&end
#
# 99 VAL HN 99 VAL QG2 3.54 (#SUP 8.28)
&rst
ixpk= 8, nxpk= 0, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1502,1503,1504,
&end
#
# 13 ALA QB 60 PHE HB2 4.69 (#SUP 5.59)
&rst
ixpk= 5, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 174, 175, 176,
&end
#
# 13 ALA QB 45 GLU HG3 4.92 (#SUP 3.42)
&rst
ixpk= 3, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 174, 175, 176,
&end
#
# 8 ALA QB 9 GLY HA3 4.83 (#SUP 4.68)
&rst
ixpk= 4, nxpk= 0, iat= -1, 113, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 104, 105, 106,
&end
#
# 94 PHE QD 160 THR QG2 5.21 (#SUP 4.97)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1=1410,1418,
igr2=2448,2449,2450,
&end
#
# 128 LYS QE 160 THR QG2 4.11 (#SUP 3.21)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1931,1932,
igr2=2448,2449,2450,
&end
#
# 159 ILE HA 159 ILE QD1 3.72 (#SUP 7.71)
&rst
ixpk= 7, nxpk= 0, iat=2425, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=2436,2437,2438,
&end
#
# 95 LEU QD2 159 ILE QD1 4.84 (#SUP 4.90)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1=1435,1436,1437,
igr2=2436,2437,2438,
&end
#
# 33 GLN HN 34 ALA QB 4.67 (#SUP 6.61)
&rst
ixpk= 6, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 504, 505, 506,
&end
#
# 34 ALA QB 35 LEU HN 3.09 (#SUP 8.45)
&rst
ixpk= 8, nxpk= 0, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr1= 504, 505, 506,
&end
#
# 34 ALA QB 35 LEU QD2 4.48 (#SUP 5.14)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 504, 505, 506,
igr2= 523, 524, 525,
&end
#
# 111 THR HB 112 ALA QB 3.87 (#SUP 5.58)
&rst
ixpk= 5, nxpk= 0, iat=1678, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1692,1693,1694,
&end
#
# 77 ALA QB 78 GLU HN 3.46 (#SUP 7.49)
&rst
ixpk= 7, nxpk= 0, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1=1145,1146,1147,
&end
#
# 62 ILE QD1 64 LEU QD1 4.05 (#SUP 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 937, 938, 939,
igr2= 971, 972, 973,
&end
#
# 47 ILE QG2 48 LYS HA 4.28 (#SUP 6.69)
&rst
ixpk= 6, nxpk= 0, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 688, 689, 690,
&end
#
# 47 ILE HN 47 ILE QG2 3.76 (#SUP 8.52)
&rst
ixpk= 8, nxpk= 0, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 688, 689, 690,
&end
#
# 47 ILE HA 47 ILE QG2 3.75 (#SUP 6.85)
&rst
ixpk= 6, nxpk= 0, iat= 684, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 688, 689, 690,
&end
#
# 60 PHE QD 86 ILE QG2 5.40 (#SUP 8.15)
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 900, 908,
igr2=1288,1289,1290,
&end
#
# 80 LEU HA 83 ILE QG2 4.74 (#SUP 2.57)
&rst
ixpk= 2, nxpk= 0, iat=1187, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1235,1236,1237,
&end
#
# 63 ILE HB 83 ILE QG2 3.65 (#SUP 3.25)
&rst
ixpk= 3, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1235,1236,1237,
&end
#
# 125 VAL HN 125 VAL QG2 3.36 (#SUP 9.23)
&rst
ixpk= 9, nxpk= 0, iat=1871, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1881,1882,1883,
&end
#
# 125 VAL QG2 165 ASN HN 4.44 (#SUP 2.99)
&rst
ixpk= 2, nxpk= 0, iat= -1,2521, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1881,1882,1883,
&end
#
# 54 ALA QB 86 ILE QD1 5.25 (#SUP 2.11)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 810, 811, 812,
igr2=1295,1296,1297,
&end
#
# 76 SER HN 79 ILE QG2 3.96 (#SUP 8.29)
&rst
ixpk= 8, nxpk= 0, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1172,1173,1174,
&end
#
# 75 HID HB3 79 ILE QG2 3.96 (#SUP 8.16)
&rst
ixpk= 8, nxpk= 0, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1172,1173,1174,
&end
#
# 79 ILE QG2 83 ILE HG13 4.29 (#SUP 3.36)
&rst
ixpk= 3, nxpk= 0, iat= -1,1240, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1172,1173,1174,
&end
#
# 62 ILE QD1 92 CYS HB2 3.95 (#SUP 4.78)
&rst
ixpk= 4, nxpk= 0, iat= -1,1376, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 937, 938, 939,
&end
#
# 63 ILE QG2 65 SER HN 4.91 (#SUP 6.45)
&rst
ixpk= 6, nxpk= 0, iat= -1, 981, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 949, 950, 951,
&end
#
# 63 ILE QG2 65 SER HA 4.96 (#SUP 4.51)
&rst
ixpk= 4, nxpk= 0, iat= -1, 983, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 949, 950, 951,
&end
#
# 63 ILE QG2 65 SER HB3 4.52 (#SUP 3.25)
&rst
ixpk= 3, nxpk= 0, iat= -1, 986, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 949, 950, 951,
&end
#
# 13 ALA QB 63 ILE QG2 4.19 (#SUP 8.57)
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 174, 175, 176,
igr2= 949, 950, 951,
&end
#
# 60 PHE QE 63 ILE QD1 5.12 (#SUP 2.25)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 902, 906,
igr2= 956, 957, 958,
&end
#
# 63 ILE QD1 87 LEU HA 4.75 (#SUP 2.99)
&rst
ixpk= 2, nxpk= 0, iat= -1,1303, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 956, 957, 958,
&end
#
# 63 ILE QD1 83 ILE HA 4.38 (#SUP 2.01)
&rst
ixpk= 2, nxpk= 0, iat= -1,1231, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 956, 957, 958,
&end
#
# 60 PHE HB3 63 ILE QD1 4.40 (#SUP 4.96)
&rst
ixpk= 4, nxpk= 0, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 956, 957, 958,
&end
#
# 63 ILE QD1 64 LEU HN 5.29 (#SUP 7.00)
&rst
ixpk= 7, nxpk= 0, iat= -1, 962, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 956, 957, 958,
&end
#
# 62 ILE HN 63 ILE QD1 5.01 (#SUP 5.80)
&rst
ixpk= 5, nxpk= 0, iat= 924, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 956, 957, 958,
&end
#
# 62 ILE HA 63 ILE QD1 5.33 (#SUP 8.09)
&rst
ixpk= 8, nxpk= 0, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 956, 957, 958,
&end
#
# 159 ILE QG2 161 GLY HN 5.16 (#SUP 2.97)
&rst
ixpk= 2, nxpk= 0, iat= -1,2456, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=2429,2430,2431,
&end
#
# 116 CYS HA 159 ILE QG2 3.77 (#SUP 2.09)
&rst
ixpk= 2, nxpk= 0, iat=1752, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=2429,2430,2431,
&end
#
# 116 CYS HB3 159 ILE QG2 4.73 (#SUP 2.10)
&rst
ixpk= 2, nxpk= 0, iat=1755, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=2429,2430,2431,
&end
#
# 159 ILE QG2 159 ILE HG12 3.54 (#SUP 4.52)
&rst
ixpk= 4, nxpk= 0, iat= -1,2433, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=2429,2430,2431,
&end
#
# 47 ILE QD1 66 GLY HA2 5.42 (#SUP 2.06)
&rst
ixpk= 2, nxpk= 0, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 695, 696, 697,
&end
#
# 62 ILE QG2 64 LEU QD1 5.40 (#SUP 1.50)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 930, 931, 932,
igr2= 971, 972, 973,
&end
#
# 13 ALA HN 62 ILE QG2 4.89 (#SUP 3.17)
&rst
ixpk= 3, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 930, 931, 932,
&end
#
# 62 ILE QG2 94 PHE QE 3.83 (#SUP 4.68)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 930, 931, 932,
igr2=1412,1416,
&end
#
# 62 ILE QG2 94 PHE QD 4.90 (#SUP 5.85)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 930, 931, 932,
igr2=1410,1418,
&end
#
# 6 ILE HA 62 ILE QG2 4.01 (#SUP 2.40)
&rst
ixpk= 2, nxpk= 0, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 930, 931, 932,
&end
#
# 4 PHE HA 62 ILE QG2 5.28 (#SUP 1.35)
&rst
ixpk= 1, nxpk= 0, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 930, 931, 932,
&end
#
# 62 ILE QG2 62 ILE HG12 3.79 (#SUP 5.44)
&rst
ixpk= 5, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 930, 931, 932,
&end
#
# 6 ILE QD1 7 SER HN 5.27 (#SUP 5.02)
&rst
ixpk= 5, nxpk= 0, iat= -1, 89, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 83, 84, 85,
&end
#
# 4 PHE HB2 6 ILE QD1 4.35 (#SUP 6.42)
&rst
ixpk= 6, nxpk= 0, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 83, 84, 85,
&end
#
# 4 PHE HB3 6 ILE QD1 4.08 (#SUP 7.90)
&rst
ixpk= 7, nxpk= 0, iat= 48, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 83, 84, 85,
&end
#
# 83 ILE HN 83 ILE QD1 4.20 (#SUP 6.69)
&rst
ixpk= 6, nxpk= 0, iat=1229, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1242,1243,1244,
&end
#
# 80 LEU HA 83 ILE QD1 4.28 (#SUP 5.95)
&rst
ixpk= 5, nxpk= 0, iat=1187, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1242,1243,1244,
&end
#
# 83 ILE HA 86 ILE QD1 4.38 (#SUP 6.48)
&rst
ixpk= 6, nxpk= 0, iat=1231, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1295,1296,1297,
&end
#
# 86 ILE HB 86 ILE QD1 4.09 (#SUP 4.95)
&rst
ixpk= 4, nxpk= 0, iat=1286, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1295,1296,1297,
&end
#
# 82 GLU QG 86 ILE QD1 5.50 (#SUP 3.73)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1221,1222,
igr2=1295,1296,1297,
&end
#
# 83 ILE HN 86 ILE QD1 5.46 (#SUP 3.23)
&rst
ixpk= 3, nxpk= 0, iat=1229, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2=1295,1296,1297,
&end
#
# 60 PHE QD 86 ILE QD1 4.33 (#SUP 7.92)
&rst
ixpk= 7, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 900, 908,
igr2=1295,1296,1297,
&end
#
# 76 SER HN 79 ILE QD1 4.88 (#SUP 7.82)
&rst
ixpk= 7, nxpk= 0, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1179,1180,1181,
&end
#
# 111 THR HA 112 ALA HN 3.30 (#SUP 5.98)
&rst
ixpk= 5, nxpk= 0, iat=1676,1688, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 99 VAL QG1 111 THR HA 3.99 (#SUP 6.57)
&rst
ixpk= 6, nxpk= 0, iat= -1,1676, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1498,1499,1500,
&end
#
# 99 VAL HB 111 THR HA 3.38 (#SUP 6.00)
&rst
ixpk= 6, nxpk= 0, iat=1496,1676, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 71 SER HA 72 THR QG2 4.72 (#SUP 4.01)
&rst
ixpk= 4, nxpk= 0, iat=1057, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1072,1073,1074,
&end
#
# 85 ARG HA 85 ARG HG3 3.92 (#SUP 6.37)
&rst
ixpk= 6, nxpk= 0, iat=1260,1266, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 85 ARG HA 85 ARG HG2 3.95 (#SUP 7.95)
&rst
ixpk= 7, nxpk= 0, iat=1260,1265, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 15 VAL QG2 65 SER HA 4.24 (#SUP 8.11)
&rst
ixpk= 8, nxpk= 0, iat= -1, 983, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 206, 207, 208,
&end
#
# 26 LYS HA 28 LEU HN 4.68 (#SUP 5.07)
&rst
ixpk= 5, nxpk= 0, iat= 368, 395, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 75 HID HN 97 GLU HB3 4.49 (#SUP 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1113,1468, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 144 ARG QD 145 GLU HG2 5.01 (#SUP 5.94)
&rst
ixpk= 5, nxpk= 0, iat= -1,2212, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=2191,2192,
&end
#
# 95 LEU QD1 97 GLU HB2 5.50 (#SUP 5.76)
&rst
ixpk= 5, nxpk= 0, iat= -1,1467, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1431,1432,1433,
&end
#
# 145 GLU HN 145 GLU HG3 4.01 (#SUP 7.30)
&rst
ixpk= 7, nxpk= 0, iat=2205,2213, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 141 GLN HE21 145 GLU HG3 5.09 (#SUP 0.02)
&rst
ixpk= 0, nxpk= 0, iat=2149,2213, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 65 SER HA 66 GLY HN 3.36 (#SUP 6.88)
&rst
ixpk= 6, nxpk= 0, iat= 983, 992, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 60 PHE HA 60 PHE HB2 3.03 (#SUP 4.72)
&rst
ixpk= 4, nxpk= 0, iat= 894, 896, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 31 LYS HA 31 LYS QD 4.17 (#SUP 6.71)
&rst
ixpk= 6, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 452, 453,
&end
#
# 31 LYS HA 31 LYS QG 3.76 (#SUP 6.14)
&rst
ixpk= 6, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 449, 450,
&end
#
# 22 VAL QG1 23 GLU HA 4.46 (#SUP 5.61)
&rst
ixpk= 5, nxpk= 0, iat= -1, 324, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 312, 313, 314,
&end
#
# 57 GLU HA 57 GLU HG3 3.72 (#SUP 5.31)
&rst
ixpk= 5, nxpk= 0, iat= 857, 863, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 57 GLU HG3 85 ARG HG3 4.50 (#SUP 2.83)
&rst
ixpk= 2, nxpk= 0, iat= 863,1266, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 GLU HG3 58 SER HN 4.14 (#SUP 5.86)
&rst
ixpk= 5, nxpk= 0, iat= 863, 870, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 57 GLU HG2 58 SER HN 3.90 (#SUP 6.24)
&rst
ixpk= 6, nxpk= 0, iat= 862, 870, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 57 GLU HA 57 GLU HG2 3.87 (#SUP 5.89)
&rst
ixpk= 5, nxpk= 0, iat= 857, 862, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 95 LEU QD1 159 ILE HA 4.64 (#SUP 6.39)
&rst
ixpk= 6, nxpk= 0, iat= -1,2425, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1431,1432,1433,
&end
#
# 125 VAL HA 126 GLU QG 4.10 (#SUP 6.64)
&rst
ixpk= 6, nxpk= 0, iat=1873, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1894,1895,
&end
#
# 145 GLU HA 146 HID HA 4.75 (#SUP 7.24)
&rst
ixpk= 7, nxpk= 0, iat=2207,2222, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 158 GLN HG2 159 ILE HN 4.43 (#SUP 9.64)
&rst
ixpk= 9, nxpk= 0, iat=2413,2423, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 158 GLN HG2 158 GLN HE22 3.97 (#SUP 7.14)
&rst
ixpk= 7, nxpk= 0, iat=2413,2419, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 158 GLN HA 158 GLN HG2 3.95 (#SUP 8.89)
&rst
ixpk= 8, nxpk= 0, iat=2408,2413, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 158 GLN HN 158 GLN HG2 4.61 (#SUP 8.31)
&rst
ixpk= 8, nxpk= 0, iat=2406,2413, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 158 GLN HN 158 GLN HG3 4.58 (#SUP 7.90)
&rst
ixpk= 7, nxpk= 0, iat=2406,2414, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 130 LEU QB 158 GLN HG3 4.72 (#SUP 3.64)
&rst
ixpk= 3, nxpk= 0, iat= -1,2414, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1959,1960,
&end
#
# 139 GLU HA 142 SER HN 4.18 (#SUP 5.20)
&rst
ixpk= 5, nxpk= 0, iat=2108,2154, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 33 GLN HA 35 LEU HN 4.72 (#SUP 5.12)
&rst
ixpk= 5, nxpk= 0, iat= 485, 510, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 157 VAL HN 157 VAL HB 3.80 (#SUP 5.79)
&rst
ixpk= 5, nxpk= 0, iat=2390,2394, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 132 ARG HA 157 VAL HB 4.76 (#SUP 2.80)
&rst
ixpk= 2, nxpk= 0, iat=1993,2394, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 162 LYS HG2 163 LYS HB3 4.88 (#SUP 3.55)
&rst
ixpk= 3, nxpk= 0, iat=2470,2490, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 50 LEU HA 50 LEU QD2 4.03 (#SUP 4.85)
&rst
ixpk= 4, nxpk= 0, iat= 742, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 753, 754, 755,
&end
#
# 33 GLN HA 42 VAL QG2 3.45 (#SUP 9.32)
&rst
ixpk= 9, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 620, 621, 622,
&end
#
# 33 GLN HN 33 GLN HG2 3.66 (#SUP 9.08)
&rst
ixpk= 9, nxpk= 0, iat= 483, 490, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 30 ASP HA 33 GLN HG2 4.94 (#SUP 6.18)
&rst
ixpk= 6, nxpk= 0, iat= 432, 490, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 33 GLN HG2 42 VAL QG1 3.60 (#SUP 8.86)
&rst
ixpk= 8, nxpk= 0, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 616, 617, 618,
&end
#
# 33 GLN HN 33 GLN HG3 4.04 (#SUP 8.78)
&rst
ixpk= 8, nxpk= 0, iat= 483, 491, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 33 GLN HG3 42 VAL QG1 3.68 (#SUP 8.18)
&rst
ixpk= 8, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 616, 617, 618,
&end
#
# 99 VAL QG1 157 VAL HB 3.74 (#SUP 2.92)
&rst
ixpk= 2, nxpk= 0, iat= -1,2394, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1498,1499,1500,
&end
#
# 43 SER HA 43 SER HB3 2.99 (#SUP 4.59)
&rst
ixpk= 4, nxpk= 0, iat= 628, 631, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 107 SER HA 108 LYS HN 3.56 (#SUP 7.60)
&rst
ixpk= 7, nxpk= 0, iat=1605,1614, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 25 LEU HA 28 LEU HB2 4.75 (#SUP 3.53)
&rst
ixpk= 3, nxpk= 0, iat= 349, 399, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 52 GLN HA 52 GLN QG 3.16 (#SUP 4.83)
&rst
ixpk= 4, nxpk= 0, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 785, 786,
&end
#
# 49 GLN HA 49 GLN HG2 3.72 (#SUP 6.20)
&rst
ixpk= 6, nxpk= 0, iat= 725, 730, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 44 VAL HN 45 GLU HG2 5.50 (#SUP 5.88)
&rst
ixpk= 5, nxpk= 0, iat= 637, 660, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 171 SER HA 171 SER QB 2.90 (#SUP 2.99)
&rst
ixpk= 2, nxpk= 0, iat=2606, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2=2608,2609,
&end
#
# 110 LYS QD 115 LEU HA 4.91 (#SUP 1.75)
&rst
ixpk= 1, nxpk= 0, iat= -1,1733, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1662,1663,
&end
#
# 115 LEU HA 117 SER HN 4.70 (#SUP 5.25)
&rst
ixpk= 5, nxpk= 0, iat=1733,1761, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 32 LEU HA 36 THR HN 4.65 (#SUP 3.16)
&rst
ixpk= 3, nxpk= 0, iat= 466, 529, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 51 LEU QD2 52 GLN QG 4.90 (#SUP 5.15)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 772, 773, 774,
igr2= 785, 786,
&end
#
# 46 ASN HN 49 GLN HG2 4.84 (#SUP 1.20)
&rst
ixpk= 1, nxpk= 0, iat= 668, 730, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 61 ASP HA 87 LEU QD2 4.84 (#SUP 7.45)
&rst
ixpk= 7, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1314,1315,1316,
&end
#
# 82 GLU HA 86 ILE QG2 4.23 (#SUP 3.25)
&rst
ixpk= 3, nxpk= 0, iat=1216, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1288,1289,1290,
&end
#
# 61 ASP HA 91 GLY HA3 4.41 (#SUP 1.05)
&rst
ixpk= 1, nxpk= 0, iat= 914,1368, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 61 ASP HA 91 GLY HN 4.48 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 914,1365, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 61 ASP HA 88 ARG HN 4.58 (#SUP 7.96)
&rst
ixpk= 7, nxpk= 0, iat= 914,1320, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 28 LEU HA 28 LEU QD1 3.95 (#SUP 5.39)
&rst
ixpk= 5, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 404, 405, 406,
&end
#
# 121 LEU HA 121 LEU QD2 3.82 (#SUP 7.85)
&rst
ixpk= 7, nxpk= 0, iat=1817, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1828,1829,1830,
&end
#
# 32 LEU HA 35 LEU HB2 4.69 (#SUP 4.40)
&rst
ixpk= 4, nxpk= 0, iat= 466, 514, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 32 LEU HA 32 LEU QQD 3.41 (#SUP 5.93)
&rst
ixpk= 5, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 477, 478, 479, 473, 474, 475,
&end
#
# 58 SER HA 86 ILE HA 4.56 (#SUP 2.29)
&rst
ixpk= 2, nxpk= 0, iat= 872,1284, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 58 SER HA 88 ARG HA 3.84 (#SUP 6.62)
&rst
ixpk= 6, nxpk= 0, iat= 872,1322, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 58 SER HA 88 ARG HG2 4.89 (#SUP 5.86)
&rst
ixpk= 5, nxpk= 0, iat= 872,1327, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 151 SER HA 152 ASP HB3 4.19 (#SUP 5.76)
&rst
ixpk= 5, nxpk= 0, iat=2297,2311, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 30 ASP HA 33 GLN HB2 3.74 (#SUP 5.62)
&rst
ixpk= 5, nxpk= 0, iat= 432, 487, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 121 LEU HA 121 LEU HG 3.41 (#SUP 7.54)
&rst
ixpk= 7, nxpk= 0, iat=1817,1822, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 151 SER HA 154 LEU HG 4.11 (#SUP 4.23)
&rst
ixpk= 4, nxpk= 0, iat=2297,2339, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 30 ASP HA 34 ALA HN 4.66 (#SUP 6.24)
&rst
ixpk= 6, nxpk= 0, iat= 432, 500, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 133 GLU HB3 156 PHE HB3 4.16 (#SUP 6.28)
&rst
ixpk= 6, nxpk= 0, iat=2020,2375, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 132 ARG HB2 157 VAL QG1 4.81 (#SUP 6.64)
&rst
ixpk= 6, nxpk= 0, iat=1995, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=2396,2397,2398,
&end
#
# 132 ARG HB2 155 LEU QD1 4.27 (#SUP 2.60)
&rst
ixpk= 2, nxpk= 0, iat=1995, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=2360,2361,2362,
&end
#
# 132 ARG HB3 155 LEU QD1 4.23 (#SUP 3.61)
&rst
ixpk= 3, nxpk= 0, iat=1996, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=2360,2361,2362,
&end
#
# 52 GLN HA 54 ALA QB 4.88 (#SUP 3.42)
&rst
ixpk= 3, nxpk= 0, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 810, 811, 812,
&end
#
# 131 GLN QG 133 GLU HN 4.78 (#SUP 3.90)
&rst
ixpk= 3, nxpk= 0, iat= -1,2015, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1981,1982,
&end
#
# 15 VAL QG2 45 GLU HB2 4.71 (#SUP 3.69)
&rst
ixpk= 3, nxpk= 0, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 206, 207, 208,
&end
#
# 138 GLU HB3 141 GLN QG 4.44 (#SUP 1.20)
&rst
ixpk= 1, nxpk= 0, iat=2096, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=2144,2145,
&end
#
# 141 GLN QB 141 GLN QG 2.74 (#SUP 6.70)
&rst
ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr1=2141,2142,
igr2=2144,2145,
&end
#
# 141 GLN HN 141 GLN QG 3.68 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat=2137, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=2144,2145,
&end
#
# 131 GLN QG 132 ARG HA 4.29 (#SUP 8.70)
&rst
ixpk= 8, nxpk= 0, iat= -1,1993, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=1981,1982,
&end
#
# 131 GLN QG 132 ARG HN 3.56 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= -1,1991, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1981,1982,
&end
#
# 130 LEU QD1 131 GLN QG 5.12 (#SUP 6.94)
&rst
ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1964,1965,1966,
igr2=1981,1982,
&end
#
# 41 ARG HA 42 VAL HB 4.75 (#SUP 7.10)
&rst
ixpk= 7, nxpk= 0, iat= 588, 614, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 15 VAL QG2 45 GLU HB3 4.58 (#SUP 5.18)
&rst
ixpk= 5, nxpk= 0, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 206, 207, 208,
&end
#
# 129 GLU HA 160 THR HN 4.24 (#SUP 9.35)
&rst
ixpk= 9, nxpk= 0, iat=1942,2442, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 10 GLN HA 61 ASP HB3 5.35 (#SUP 6.21)
&rst
ixpk= 6, nxpk= 0, iat= 119, 917, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 126 GLU HA 127 VAL HA 4.60 (#SUP 6.72)
&rst
ixpk= 6, nxpk= 0, iat=1889,1904, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 140 VAL HN 141 GLN QG 4.34 (#SUP 8.12)
&rst
ixpk= 8, nxpk= 0, iat=2121, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2=2144,2145,
&end
#
# 129 GLU HA 159 ILE QG2 4.12 (#SUP 8.25)
&rst
ixpk= 8, nxpk= 0, iat=1942, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=2429,2430,2431,
&end
#
# 129 GLU HA 130 LEU HN 3.14 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat=1942,1955, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 56 LYS QB 57 GLU HA 4.69 (#SUP 4.99)
&rst
ixpk= 4, nxpk= 0, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 837, 838,
&end
#
# 57 GLU HA 58 SER HN 3.20 (#SUP 5.98)
&rst
ixpk= 5, nxpk= 0, iat= 857, 870, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 57 GLU HA 86 ILE QG2 4.29 (#SUP 3.52)
&rst
ixpk= 3, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1288,1289,1290,
&end
#
# 126 GLU HA 126 GLU HB2 2.99 (#SUP 6.36)
&rst
ixpk= 6, nxpk= 0, iat=1889,1891, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 125 VAL QG2 126 GLU HA 4.61 (#SUP 7.77)
&rst
ixpk= 7, nxpk= 0, iat= -1,1889, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1881,1882,1883,
&end
#
# 31 LYS HB3 35 LEU QD2 4.52 (#SUP 2.95)
&rst
ixpk= 2, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 523, 524, 525,
&end
#
# 7 SER HA 8 ALA QB 3.92 (#SUP 4.41)
&rst
ixpk= 4, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 104, 105, 106,
&end
#
# 108 LYS HN 108 LYS HB3 4.02 (#SUP 7.30)
&rst
ixpk= 7, nxpk= 0, iat=1614,1619, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 41 ARG HA 41 ARG QB 2.99 (#SUP 7.73)
&rst
ixpk= 7, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 590, 591,
&end
#
# 41 ARG HA 42 VAL QG2 4.34 (#SUP 6.68)
&rst
ixpk= 6, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 620, 621, 622,
&end
#
# 56 LYS HA 56 LYS HG3 3.70 (#SUP 6.92)
&rst
ixpk= 6, nxpk= 0, iat= 835, 841, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 112 ALA HA 157 VAL QG2 3.99 (#SUP 1.23)
&rst
ixpk= 1, nxpk= 0, iat=1690, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=2400,2401,2402,
&end
#
# 164 PRO HB2 165 ASN HN 3.77 (#SUP 5.08)
&rst
ixpk= 5, nxpk= 0, iat=2514,2521, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 125 VAL QG2 164 PRO HB2 4.14 (#SUP 4.40)
&rst
ixpk= 4, nxpk= 0, iat= -1,2514, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1881,1882,1883,
&end
#
# 100 GLU HB2 109 VAL QG1 5.24 (#SUP 1.48)
&rst
ixpk= 1, nxpk= 0, iat=1512, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1642,1643,1644,
&end
#
# 21 PRO HB3 24 ALA HN 4.99 (#SUP 6.87)
&rst
ixpk= 6, nxpk= 0, iat= 300, 337, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 21 PRO HB3 22 VAL HN 4.63 (#SUP 6.23)
&rst
ixpk= 6, nxpk= 0, iat= 300, 306, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 164 PRO HB3 165 ASN HN 4.08 (#SUP 5.03)
&rst
ixpk= 5, nxpk= 0, iat=2515,2521, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 20 SER HA 21 PRO HD3 3.27 (#SUP 5.35)
&rst
ixpk= 5, nxpk= 0, iat= 283, 294, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 92 CYS HB3 162 LYS HA 4.37 (#SUP 5.88)
&rst
ixpk= 5, nxpk= 0, iat=1377,2465, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 131 GLN HB2 132 ARG HN 4.05 (#SUP 7.53)
&rst
ixpk= 7, nxpk= 0, iat=1978,1991, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 100 GLU HB2 111 THR QG2 4.98 (#SUP 1.05)
&rst
ixpk= 1, nxpk= 0, iat=1512, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1680,1681,1682,
&end
#
# 20 SER HA 24 ALA QB 5.19 (#SUP 4.04)
&rst
ixpk= 4, nxpk= 0, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2= 341, 342, 343,
&end
#
# 82 GLU HA 85 ARG HB3 4.38 (#SUP 2.38)
&rst
ixpk= 2, nxpk= 0, iat=1216,1263, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 68 VAL HA 69 PRO HB3 4.97 (#SUP 6.56)
&rst
ixpk= 6, nxpk= 0, iat=1020,1042, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 130 LEU HA 130 LEU QD1 3.61 (#SUP 7.90)
&rst
ixpk= 7, nxpk= 0, iat=1957, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1964,1965,1966,
&end
#
# 83 ILE QG2 84 ALA HA 4.34 (#SUP 3.30)
&rst
ixpk= 3, nxpk= 0, iat= -1,1250, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1235,1236,1237,
&end
#
# 84 ALA HA 124 LEU QQD 3.89 (#SUP 1.50)
&rst
ixpk= 1, nxpk= 0, iat=1250, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1865,1866,1867,1861,1862,1863,
&end
#
# 82 GLU HA 85 ARG HB2 4.60 (#SUP 3.02)
&rst
ixpk= 3, nxpk= 0, iat=1216,1262, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 137 PRO HA 140 VAL HB 4.77 (#SUP 3.32)
&rst
ixpk= 3, nxpk= 0, iat=2087,2125, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 140 VAL HB 141 GLN HN 3.95 (#SUP 6.32)
&rst
ixpk= 6, nxpk= 0, iat=2125,2137, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 130 LEU QB 158 GLN HB2 4.48 (#SUP 4.27)
&rst
ixpk= 4, nxpk= 0, iat= -1,2410, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1959,1960,
&end
#
# 21 PRO HA 22 VAL HB 4.85 (#SUP 6.47)
&rst
ixpk= 6, nxpk= 0, iat= 302, 310, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 131 GLN HN 158 GLN HB3 4.52 (#SUP 7.03)
&rst
ixpk= 7, nxpk= 0, iat=1974,2411, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 158 GLN HB3 159 ILE HN 4.36 (#SUP 8.00)
&rst
ixpk= 8, nxpk= 0, iat=2411,2423, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 131 GLN HE22 158 GLN HB3 4.82 (#SUP 4.36)
&rst
ixpk= 4, nxpk= 0, iat=1987,2411, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 137 PRO HB3 138 GLU HN 4.59 (#SUP 8.12)
&rst
ixpk= 8, nxpk= 0, iat=2085,2091, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 55 HID HB3 86 ILE QG2 4.16 (#SUP 6.02)
&rst
ixpk= 6, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1288,1289,1290,
&end
#
# 55 HID HB3 86 ILE QD1 5.25 (#SUP 5.41)
&rst
ixpk= 5, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1295,1296,1297,
&end
#
# 89 PRO HB3 90 GLY HN 4.30 (#SUP 5.47)
&rst
ixpk= 5, nxpk= 0, iat=1352,1358, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 127 VAL HB 128 LYS HN 4.58 (#SUP 6.13)
&rst
ixpk= 6, nxpk= 0, iat=1906,1918, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 144 ARG QD 150 GLU HB3 4.94 (#SUP 2.97)
&rst
ixpk= 2, nxpk= 0, iat= -1,2285, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=2191,2192,
&end
#
# 98 PRO HB3 135 LEU QD1 4.32 (#SUP 1.31)
&rst
ixpk= 1, nxpk= 0, iat=1486, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=2053,2054,2055,
&end
#
# 87 LEU HA 87 LEU QD2 4.07 (#SUP 6.96)
&rst
ixpk= 6, nxpk= 0, iat=1303, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1314,1315,1316,
&end
#
# 150 GLU HA 150 GLU HG3 3.81 (#SUP 5.58)
&rst
ixpk= 5, nxpk= 0, iat=2282,2288, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 150 GLU HA 151 SER HN 2.96 (#SUP 5.58)
&rst
ixpk= 5, nxpk= 0, iat=2282,2295, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 144 ARG QD 150 GLU HA 5.03 (#SUP 4.69)
&rst
ixpk= 4, nxpk= 0, iat= -1,2282, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1=2191,2192,
&end
#
# 55 HID HB2 56 LYS QD 4.59 (#SUP 5.25)
&rst
ixpk= 5, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 843, 844,
&end
#
# 68 VAL HB 69 PRO HD2 4.17 (#SUP 5.10)
&rst
ixpk= 5, nxpk= 0, iat=1022,1035, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 150 GLU HN 150 GLU HB2 3.62 (#SUP 6.08)
&rst
ixpk= 6, nxpk= 0, iat=2280,2284, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 150 GLU HB2 150 GLU HG3 2.74 (#SUP 4.10)
&rst
ixpk= 4, nxpk= 0, iat=2284,2288, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end
#
# 150 GLU HB3 151 SER HN 4.72 (#SUP 5.84)
&rst
ixpk= 5, nxpk= 0, iat=2285,2295, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 81 ALA HA 84 ALA HN 4.33 (#SUP 1.80)
&rst
ixpk= 1, nxpk= 0, iat=1206,1248, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 118 ALA HA 121 LEU HN 3.88 (#SUP 6.01)
&rst
ixpk= 6, nxpk= 0, iat=1774,1815, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 118 ALA HA 121 LEU QD1 3.99 (#SUP 4.52)
&rst
ixpk= 4, nxpk= 0, iat=1774, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1824,1825,1826,
&end
#
# 129 GLU HB3 157 VAL QG1 4.62 (#SUP 5.24)
&rst
ixpk= 5, nxpk= 0, iat=1945, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=2396,2397,2398,
&end
#
# 100 GLU HA 154 LEU HA 3.85 (#SUP 5.81)
&rst
ixpk= 5, nxpk= 0, iat=1510,2334, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 129 GLU HB2 157 VAL QG1 4.57 (#SUP 3.81)
&rst
ixpk= 3, nxpk= 0, iat=1944, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=2396,2397,2398,
&end
#
# 83 ILE HN 83 ILE HG13 4.52 (#SUP 7.11)
&rst
ixpk= 7, nxpk= 0, iat=1229,1240, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 16 TRP HA 17 ASP HN 3.13 (#SUP 5.49)
&rst
ixpk= 5, nxpk= 0, iat= 214, 236, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 58 SER HN 88 ARG HA 4.54 (#SUP 3.94)
&rst
ixpk= 3, nxpk= 0, iat= 870,1322, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 128 LYS HA 129 GLU HB3 4.50 (#SUP 6.54)
&rst
ixpk= 6, nxpk= 0, iat=1920,1945, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 VAL QG1 16 TRP HA 4.15 (#SUP 6.64)
&rst
ixpk= 6, nxpk= 0, iat= -1, 214, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 202, 203, 204,
&end
#
# 110 LYS HA 110 LYS QD 4.29 (#SUP 5.37)
&rst
ixpk= 5, nxpk= 0, iat=1654, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1662,1663,
&end
#
# 119 LEU HN 119 LEU HG 4.73 (#SUP 6.74)
&rst
ixpk= 6, nxpk= 0, iat=1782,1789, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 100 GLU HB3 154 LEU HA 4.35 (#SUP 2.28)
&rst
ixpk= 2, nxpk= 0, iat=1513,2334, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 34 ALA HA 37 GLY HN 4.66 (#SUP 1.85)
&rst
ixpk= 1, nxpk= 0, iat= 502, 543, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 34 ALA HA 36 THR HN 4.60 (#SUP 5.38)
&rst
ixpk= 5, nxpk= 0, iat= 502, 529, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 158 GLN HA 159 ILE HN 3.03 (#SUP 9.00)
&rst
ixpk= 9, nxpk= 0, iat=2408,2423, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 45 GLU HA 45 GLU HG3 3.27 (#SUP 5.65)
&rst
ixpk= 5, nxpk= 0, iat= 655, 661, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 105 ASN HA 105 ASN QB 2.82 (#SUP 3.73)
&rst
ixpk= 3, nxpk= 0, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr2=1579,1580,
&end
#
# 23 GLU HB3 24 ALA HA 4.75 (#SUP 4.33)
&rst
ixpk= 4, nxpk= 0, iat= 327, 339, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 46 ASN HN 49 GLN HB3 4.42 (#SUP 1.33)
&rst
ixpk= 1, nxpk= 0, iat= 668, 728, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 49 GLN HB3 50 LEU HN 4.50 (#SUP 6.91)
&rst
ixpk= 6, nxpk= 0, iat= 728, 740, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 47 ILE HN 47 ILE HG12 4.73 (#SUP 7.48)
&rst
ixpk= 7, nxpk= 0, iat= 682, 692, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 97 GLU HA 98 PRO HD3 3.38 (#SUP 9.62)
&rst
ixpk= 9, nxpk= 0, iat=1465,1480, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 93 LEU HN 162 LYS HA 3.56 (#SUP 8.00)
&rst
ixpk= 8, nxpk= 0, iat=1383,2465, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 44 VAL QG2 45 GLU HA 3.52 (#SUP 5.61)
&rst
ixpk= 5, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 647, 648, 649,
&end
#
# 45 GLU HA 45 GLU HG2 3.77 (#SUP 6.54)
&rst
ixpk= 6, nxpk= 0, iat= 655, 660, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 124 LEU HA 164 PRO QG 4.47 (#SUP 4.36)
&rst
ixpk= 4, nxpk= 0, iat=1854, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=2511,2512,
&end
#
# 24 ALA HA 25 LEU HN 3.56 (#SUP 6.33)
&rst
ixpk= 6, nxpk= 0, iat= 339, 347, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 24 ALA HA 28 LEU HN 4.55 (#SUP 2.49)
&rst
ixpk= 2, nxpk= 0, iat= 339, 395, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 144 ARG HB2 145 GLU HN 4.75 (#SUP 8.13)
&rst
ixpk= 8, nxpk= 0, iat=2185,2205, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 144 ARG HN 144 ARG HB3 3.54 (#SUP 9.94)
&rst
ixpk= 9, nxpk= 0, iat=2181,2186, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 144 ARG HB3 145 GLU HN 4.21 (#SUP 8.64)
&rst
ixpk= 8, nxpk= 0, iat=2186,2205, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 88 ARG HB2 88 ARG HD3 4.10 (#SUP 6.39)
&rst
ixpk= 6, nxpk= 0, iat=1324,1331, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 60 PHE HN 88 ARG HB2 4.70 (#SUP 4.73)
&rst
ixpk= 4, nxpk= 0, iat= 892,1324, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 147 LEU HA 147 LEU QD2 4.57 (#SUP 5.57)
&rst
ixpk= 5, nxpk= 0, iat=2239, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=2250,2251,2252,
&end
#
# 124 LEU HA 164 PRO HD3 4.71 (#SUP 6.17)
&rst
ixpk= 6, nxpk= 0, iat=1854,2509, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 56 LYS HA 57 GLU HB2 4.72 (#SUP 5.05)
&rst
ixpk= 5, nxpk= 0, iat= 835, 859, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 163 LYS HD3 164 PRO HD2 4.86 (#SUP 2.51)
&rst
ixpk= 2, nxpk= 0, iat=2496,2508, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 65 SER HB2 95 LEU HA 4.59 (#SUP 6.70)
&rst
ixpk= 6, nxpk= 0, iat= 985,1424, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 93 LEU QD2 95 LEU HA 5.13 (#SUP 5.95)
&rst
ixpk= 5, nxpk= 0, iat= -1,1424, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=1396,1397,1398,
&end
#
# 104 ASP HA 104 ASP HB3 2.98 (#SUP 4.07)
&rst
ixpk= 4, nxpk= 0, iat=1565,1568, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 135 LEU QD2 139 GLU HB2 4.72 (#SUP 8.12)
&rst
ixpk= 8, nxpk= 0, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2057,2058,2059,
&end
#
# 114 LYS HB3 114 LYS QD 4.18 (#SUP 2.92)
&rst
ixpk= 2, nxpk= 0, iat=1714, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2=1719,1720,
&end
#
# 138 GLU HN 138 GLU HB2 3.60 (#SUP 6.92)
&rst
ixpk= 6, nxpk= 0, iat=2091,2095, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 138 GLU HN 138 GLU HB3 3.87 (#SUP 6.82)
&rst
ixpk= 6, nxpk= 0, iat=2091,2096, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 56 LYS QD 86 ILE QG2 5.26 (#SUP 3.67)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 843, 844,
igr2=1288,1289,1290,
&end
#
# 4 PHE QD 31 LYS QD 4.66 (#SUP 1.90)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 51, 59,
igr2= 452, 453,
&end
#
# 50 LEU QD2 82 GLU HB3 3.97 (#SUP 2.24)
&rst
ixpk= 2, nxpk= 0, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 753, 754, 755,
&end
#
# 14 VAL HA 64 LEU HA 4.96 (#SUP 6.30)
&rst
ixpk= 6, nxpk= 0, iat= 182, 964, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 165 ASN HA 166 PHE HN 3.08 (#SUP 6.91)
&rst
ixpk= 6, nxpk= 0, iat=2523,2535, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 164 PRO HA 165 ASN HA 4.68 (#SUP 5.82)
&rst
ixpk= 5, nxpk= 0, iat=2517,2523, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 89 PRO HA 165 ASN HA 4.24 (#SUP 5.40)
&rst
ixpk= 5, nxpk= 0, iat=1354,2523, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 89 PRO HB3 165 ASN HA 3.06 (#SUP 6.86)
&rst
ixpk= 6, nxpk= 0, iat=1352,2523, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 89 PRO HB2 165 ASN HA 3.49 (#SUP 7.85)
&rst
ixpk= 7, nxpk= 0, iat=1351,2523, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 16 TRP HB2 17 ASP HA 4.44 (#SUP 7.71)
&rst
ixpk= 7, nxpk= 0, iat= 216, 238, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 75 HID HB2 80 LEU HG 4.88 (#SUP 5.12)
&rst
ixpk= 5, nxpk= 0, iat=1117,1192, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 4 PHE HB2 6 ILE HG12 4.70 (#SUP 5.31)
&rst
ixpk= 5, nxpk= 0, iat= 47, 80, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 4 PHE HB3 6 ILE HG12 4.64 (#SUP 6.04)
&rst
ixpk= 6, nxpk= 0, iat= 48, 80, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 6 ILE QG2 6 ILE HG13 3.80 (#SUP 6.52)
&rst
ixpk= 6, nxpk= 0, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 76, 77, 78,
&end
#
# 89 PRO HG2 166 PHE HN 4.81 (#SUP 2.96)
&rst
ixpk= 2, nxpk= 0, iat=1348,2535, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 22 VAL HN 23 GLU HB2 5.35 (#SUP 7.65)
&rst
ixpk= 7, nxpk= 0, iat= 306, 326, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 82 GLU HB3 83 ILE HN 4.62 (#SUP 5.83)
&rst
ixpk= 5, nxpk= 0, iat=1219,1229, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 102 ALA HA 103 VAL QG2 4.60 (#SUP 4.00)
&rst
ixpk= 4, nxpk= 0, iat=1539, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1557,1558,1559,
&end
#
# 21 PRO HG2 24 ALA HN 4.81 (#SUP 8.50)
&rst
ixpk= 8, nxpk= 0, iat= 296, 337, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 88 ARG HB3 89 PRO HG2 4.54 (#SUP 5.60)
&rst
ixpk= 5, nxpk= 0, iat=1325,1348, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 33 GLN HB2 42 VAL QG1 5.37 (#SUP 7.78)
&rst
ixpk= 7, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2= 616, 617, 618,
&end
#
# 52 GLN QB 54 ALA HN 4.42 (#SUP 5.05)
&rst
ixpk= 5, nxpk= 0, iat= -1, 806, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 782, 783,
&end
#
# 52 GLN QB 54 ALA QB 5.15 (#SUP 3.62)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 782, 783,
igr2= 810, 811, 812,
&end
#
# 33 GLN HB3 42 VAL QG1 4.40 (#SUP 6.47)
&rst
ixpk= 6, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 616, 617, 618,
&end
#
# 21 PRO HG3 24 ALA QB 4.97 (#SUP 4.89)
&rst
ixpk= 4, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 341, 342, 343,
&end
#
# 13 ALA HN 63 ILE HG12 4.68 (#SUP 6.77)
&rst
ixpk= 6, nxpk= 0, iat= 170, 953, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 79 ILE HN 79 ILE HG12 4.34 (#SUP 7.45)
&rst
ixpk= 7, nxpk= 0, iat=1166,1176, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 79 ILE HG13 80 LEU HN 4.85 (#SUP 8.26)
&rst
ixpk= 8, nxpk= 0, iat=1177,1185, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 79 ILE HN 79 ILE HG13 4.36 (#SUP 8.32)
&rst
ixpk= 8, nxpk= 0, iat=1166,1177, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 102 ALA HA 103 VAL HN 2.95 (#SUP 4.69)
&rst
ixpk= 4, nxpk= 0, iat=1539,1547, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 63 ILE HG12 86 ILE QD1 4.21 (#SUP 1.50)
&rst
ixpk= 1, nxpk= 0, iat= 953, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1295,1296,1297,
&end
#
# 63 ILE HG13 87 LEU QD1 4.80 (#SUP 2.93)
&rst
ixpk= 2, nxpk= 0, iat= 954, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1310,1311,1312,
&end
#
# 125 VAL QG2 164 PRO HD2 4.92 (#SUP 7.96)
&rst
ixpk= 7, nxpk= 0, iat= -1,2508, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=1881,1882,1883,
&end
#
# 144 ARG HG2 145 GLU HN 4.64 (#SUP 7.78)
&rst
ixpk= 7, nxpk= 0, iat=2188,2205, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 144 ARG HN 144 ARG HG3 4.52 (#SUP 9.05)
&rst
ixpk= 9, nxpk= 0, iat=2181,2189, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 129 GLU HA 159 ILE HG12 4.35 (#SUP 4.66)
&rst
ixpk= 4, nxpk= 0, iat=1942,2433, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 159 ILE HG13 160 THR HN 4.52 (#SUP 6.88)
&rst
ixpk= 6, nxpk= 0, iat=2434,2442, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 163 LYS HA 164 PRO HD2 3.43 (#SUP 4.38)
&rst
ixpk= 4, nxpk= 0, iat=2487,2508, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 163 LYS HB3 164 PRO HD2 4.73 (#SUP 4.55)
&rst
ixpk= 4, nxpk= 0, iat=2490,2508, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 28 LEU QD1 69 PRO HD2 4.59 (#SUP 2.90)
&rst
ixpk= 2, nxpk= 0, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 404, 405, 406,
&end
#
# 163 LYS HA 164 PRO HD3 3.41 (#SUP 4.05)
&rst
ixpk= 4, nxpk= 0, iat=2487,2509, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 125 VAL HN 164 PRO HD3 4.47 (#SUP 9.25)
&rst
ixpk= 9, nxpk= 0, iat=1871,2509, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 125 VAL QG1 164 PRO HD3 4.95 (#SUP 8.33)
&rst
ixpk= 8, nxpk= 0, iat= -1,2509, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1877,1878,1879,
&end
#
# 125 VAL QG2 164 PRO HD3 4.69 (#SUP 7.88)
&rst
ixpk= 7, nxpk= 0, iat= -1,2509, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1881,1882,1883,
&end
#
# 28 LEU QD1 69 PRO HD3 4.74 (#SUP 2.03)
&rst
ixpk= 2, nxpk= 0, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 404, 405, 406,
&end
#
# 164 PRO QG 165 ASN HN 4.72 (#SUP 5.89)
&rst
ixpk= 5, nxpk= 0, iat= -1,2521, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2511,2512,
&end
#
# 172 ARG HA 172 ARG QG 4.12 (#SUP 3.85)
&rst
ixpk= 3, nxpk= 0, iat=2617, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=2622,2623,
&end
#
# 87 LEU HA 88 ARG HG3 4.83 (#SUP 7.03)
&rst
ixpk= 7, nxpk= 0, iat=1303,1328, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 135 LEU QD2 154 LEU HG 4.69 (#SUP 3.39)
&rst
ixpk= 3, nxpk= 0, iat= -1,2339, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=2057,2058,2059,
&end
#
# 88 ARG HG2 89 PRO HD3 5.03 (#SUP 9.15)
&rst
ixpk= 9, nxpk= 0, iat=1327,1346, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 64 LEU HG 67 LEU QQD 5.22 (#SUP 0.02)
&rst
ixpk= 0, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr2=1012,1013,1014,1008,1009,1010,
&end
#
# 88 ARG HG3 89 PRO HD2 4.92 (#SUP 8.15)
&rst
ixpk= 8, nxpk= 0, iat=1328,1345, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 21 PRO HD3 24 ALA QB 4.48 (#SUP 6.07)
&rst
ixpk= 6, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 341, 342, 343,
&end
#
# 21 PRO HD3 68 VAL QG2 4.43 (#SUP 2.85)
&rst
ixpk= 2, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1028,1029,1030,
&end
#
# 132 ARG HG2 157 VAL HA 4.88 (#SUP 3.27)
&rst
ixpk= 3, nxpk= 0, iat=1998,2392, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 115 LEU HN 115 LEU HG 4.87 (#SUP 8.39)
&rst
ixpk= 8, nxpk= 0, iat=1731,1738, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 41 ARG HA 41 ARG HG3 3.96 (#SUP 6.34)
&rst
ixpk= 6, nxpk= 0, iat= 588, 594, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 133 GLU HN 134 PRO QD 4.51 (#SUP 9.18)
&rst
ixpk= 9, nxpk= 0, iat=2015, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=2031,2032,
&end
#
# 73 THR HN 98 PRO HD2 4.79 (#SUP 3.31)
&rst
ixpk= 3, nxpk= 0, iat=1080,1479, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 97 GLU HA 98 PRO HD2 3.74 (#SUP 7.55)
&rst
ixpk= 7, nxpk= 0, iat=1465,1479, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 97 GLU QG 98 PRO HD2 4.18 (#SUP 7.27)
&rst
ixpk= 7, nxpk= 0, iat= -1,1479, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=1470,1471,
&end
#
# 72 THR HA 98 PRO HD3 4.57 (#SUP 2.33)
&rst
ixpk= 2, nxpk= 0, iat=1068,1480, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 73 THR HN 98 PRO HD3 4.87 (#SUP 3.87)
&rst
ixpk= 3, nxpk= 0, iat=1080,1480, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 97 GLU HB3 98 PRO HD3 4.63 (#SUP 7.62)
&rst
ixpk= 7, nxpk= 0, iat=1468,1480, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 134 PRO QD 155 LEU QD2 4.79 (#SUP 4.00)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1=2031,2032,
igr2=2364,2365,2366,
&end
#
# 133 GLU HB2 134 PRO QD 3.48 (#SUP 7.74)
&rst
ixpk= 7, nxpk= 0, iat=2019, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=2031,2032,
&end
#
# 134 PRO QD 136 THR QG2 5.40 (#SUP 1.38)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2031,2032,
igr2=2069,2070,2071,
&end
#
# 4 PHE HZ 67 LEU HG 5.09 (#SUP 3.81)
&rst
ixpk= 3, nxpk= 0, iat= 55,1006, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 94 PHE HB3 95 LEU QD1 5.23 (#SUP 6.34)
&rst
ixpk= 6, nxpk= 0, iat=1407, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2=1431,1432,1433,
&end
#
# 97 GLU QG 98 PRO HD3 4.84 (#SUP 8.57)
&rst
ixpk= 8, nxpk= 0, iat= -1,1480, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1470,1471,
&end
#
# 80 LEU HG 119 LEU QD1 5.04 (#SUP 1.74)
&rst
ixpk= 1, nxpk= 0, iat=1192, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1791,1792,1793,
&end
#
# 65 SER HN 67 LEU HG 4.33 (#SUP 3.18)
&rst
ixpk= 3, nxpk= 0, iat= 981,1006, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 64 LEU HB2 67 LEU HG 4.90 (#SUP 3.99)
&rst
ixpk= 3, nxpk= 0, iat= 966,1006, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 95 LEU QD1 159 ILE HG13 4.75 (#SUP 5.91)
&rst
ixpk= 5, nxpk= 0, iat= -1,2434, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1431,1432,1433,
&end
#
# 98 PRO HB3 135 LEU QD2 4.29 (#SUP 2.96)
&rst
ixpk= 2, nxpk= 0, iat=1486, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=2057,2058,2059,
&end
#
# 137 PRO QD 138 GLU HN 4.16 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= -1,2091, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=2078,2079,
&end
#
# 136 THR HB 137 PRO QD 3.23 (#SUP 7.53)
&rst
ixpk= 7, nxpk= 0, iat=2067, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2=2078,2079,
&end
#
# 80 LEU QD1 119 LEU HA 4.65 (#SUP 4.17)
&rst
ixpk= 4, nxpk= 0, iat= -1,1784, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1194,1195,1196,
&end
#
# 80 LEU QD1 119 LEU HB3 4.00 (#SUP 4.00)
&rst
ixpk= 4, nxpk= 0, iat= -1,1787, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1194,1195,1196,
&end
#
# 80 LEU QD1 115 LEU QD2 4.14 (#SUP 1.51)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1194,1195,1196,
igr2=1744,1745,1746,
&end
#
# 88 ARG HA 89 PRO HD2 3.61 (#SUP 8.31)
&rst
ixpk= 8, nxpk= 0, iat=1322,1345, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 115 LEU QD1 116 CYS HB2 5.03 (#SUP 5.47)
&rst
ixpk= 5, nxpk= 0, iat= -1,1754, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1740,1741,1742,
&end
#
# 74 LEU QQD 148 GLY HN 4.90 (#SUP 3.03)
&rst
ixpk= 3, nxpk= 0, iat= -1,2256, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1107,1108,1109,1103,1104,1105,
&end
#
# 35 LEU QD2 36 THR HN 5.10 (#SUP 6.09)
&rst
ixpk= 6, nxpk= 0, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 523, 524, 525,
&end
#
# 74 LEU QQD 97 GLU HB3 5.24 (#SUP 1.98)
&rst
ixpk= 1, nxpk= 0, iat= -1,1468, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1=1107,1108,1109,1103,1104,1105,
&end
#
# 80 LEU QD1 119 LEU QD1 2.46 (#SUP 7.87)
&rst
ixpk= 7, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr1=1194,1195,1196,
igr2=1791,1792,1793,
&end
#
# 50 LEU QD1 75 HID HD2 5.23 (#SUP 0.74)
&rst
ixpk= 0, nxpk= 0, iat= -1,1126, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 749, 750, 751,
&end
#
# 74 LEU QQD 98 PRO HD2 4.86 (#SUP 1.79)
&rst
ixpk= 1, nxpk= 0, iat= -1,1479, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=1107,1108,1109,1103,1104,1105,
&end
#
# 32 LEU HA 35 LEU QD2 4.40 (#SUP 4.57)
&rst
ixpk= 4, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 523, 524, 525,
&end
#
# 67 LEU HA 67 LEU QQD 4.55 (#SUP 4.26)
&rst
ixpk= 4, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr2=1012,1013,1014,1008,1009,1010,
&end
#
# 50 LEU QD1 53 SER HB2 5.08 (#SUP 2.92)
&rst
ixpk= 2, nxpk= 0, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 749, 750, 751,
&end
#
# 31 LYS HA 35 LEU QD2 4.58 (#SUP 3.73)
&rst
ixpk= 3, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 523, 524, 525,
&end
#
# 50 LEU QD2 53 SER HB3 4.91 (#SUP 5.25)
&rst
ixpk= 5, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 753, 754, 755,
&end
#
# 119 LEU HN 119 LEU QD2 4.99 (#SUP 7.58)
&rst
ixpk= 7, nxpk= 0, iat=1782, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1795,1796,1797,
&end
#
# 67 LEU QQD 68 VAL QG1 5.14 (#SUP 2.80)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1012,1013,1014,1008,1009,1010,
igr2=1024,1025,1026,
&end
#
# 31 LYS QD 32 LEU HG 3.74 (#SUP 5.85)
&rst
ixpk= 5, nxpk= 0, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 452, 453,
&end
#
# 119 LEU QD2 159 ILE HB 4.62 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat= -1,2427, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=1795,1796,1797,
&end
#
# 87 LEU QD1 93 LEU HB2 4.44 (#SUP 3.06)
&rst
ixpk= 3, nxpk= 0, iat= -1,1387, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1310,1311,1312,
&end
#
# 13 ALA HA 14 VAL HB 4.64 (#SUP 6.62)
&rst
ixpk= 6, nxpk= 0, iat= 172, 184, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 13 ALA HA 43 SER HN 3.56 (#SUP 7.41)
&rst
ixpk= 7, nxpk= 0, iat= 172, 626, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 13 ALA HA 14 VAL HN 3.12 (#SUP 6.59)
&rst
ixpk= 6, nxpk= 0, iat= 172, 180, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 87 LEU QD1 163 LYS HN 5.14 (#SUP 1.50)
&rst
ixpk= 1, nxpk= 0, iat= -1,2485, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1310,1311,1312,
&end
#
# 86 ILE HG12 87 LEU HA 4.96 (#SUP 5.64)
&rst
ixpk= 5, nxpk= 0, iat=1292,1303, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 55 HID HB3 56 LYS HG3 4.73 (#SUP 4.16)
&rst
ixpk= 4, nxpk= 0, iat= 821, 841, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 56 LYS HN 56 LYS HG3 4.32 (#SUP 9.09)
&rst
ixpk= 9, nxpk= 0, iat= 833, 841, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 56 LYS HG2 57 GLU HN 4.39 (#SUP 6.57)
&rst
ixpk= 6, nxpk= 0, iat= 840, 855, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 87 LEU QD2 93 LEU HB2 4.77 (#SUP 4.03)
&rst
ixpk= 4, nxpk= 0, iat= -1,1387, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1314,1315,1316,
&end
#
# 62 ILE QG2 87 LEU QD2 5.32 (#SUP 2.42)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.67, r4= 8.17,
igr1= 930, 931, 932,
igr2=1314,1315,1316,
&end
#
# 135 LEU QD1 140 VAL QG1 5.48 (#SUP 9.24)
&rst
ixpk= 9, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.90, r4= 8.40,
igr1=2053,2054,2055,
igr2=2127,2128,2129,
&end
#
# 56 LYS HG3 86 ILE QG2 5.19 (#SUP 3.49)
&rst
ixpk= 3, nxpk= 0, iat= 841, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=1288,1289,1290,
&end
#
# 4 PHE HZ 64 LEU QD1 5.19 (#SUP 3.74)
&rst
ixpk= 3, nxpk= 0, iat= 55, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2= 971, 972, 973,
&end
#
# 90 GLY HN 162 LYS HG2 4.85 (#SUP 3.30)
&rst
ixpk= 3, nxpk= 0, iat=1358,2470, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 51 LEU HA 51 LEU QD2 5.06 (#SUP 6.38)
&rst
ixpk= 6, nxpk= 0, iat= 761, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 772, 773, 774,
&end
#
# 155 LEU QD2 156 PHE HN 4.64 (#SUP 7.62)
&rst
ixpk= 7, nxpk= 0, iat= -1,2370, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=2364,2365,2366,
&end
#
# 28 LEU HB3 32 LEU QQD 5.12 (#SUP 2.07)
&rst
ixpk= 2, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2= 477, 478, 479, 473, 474, 475,
&end
#
# 1 MET HA 32 LEU QQD 4.33 (#SUP 1.13)
&rst
ixpk= 1, nxpk= 0, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 477, 478, 479, 473, 474, 475,
&end
#
# 49 GLN HA 51 LEU QD2 5.04 (#SUP 2.70)
&rst
ixpk= 2, nxpk= 0, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 772, 773, 774,
&end
#
# 154 LEU QQD 155 LEU HN 4.86 (#SUP 6.94)
&rst
ixpk= 6, nxpk= 0, iat= -1,2351, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=2345,2346,2347,2341,2342,2343,
&end
#
# 139 GLU HB2 140 VAL QG1 5.09 (#SUP 5.20)
&rst
ixpk= 5, nxpk= 0, iat=2110, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=2127,2128,2129,
&end
#
# 28 LEU QD1 68 VAL HB 4.91 (#SUP 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 404, 405, 406,
&end
#
# 118 ALA HN 121 LEU QD1 5.09 (#SUP 3.69)
&rst
ixpk= 3, nxpk= 0, iat=1772, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=1824,1825,1826,
&end
#
# 4 PHE QE 32 LEU QQD 5.26 (#SUP 4.36)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.96, r4= 8.46,
igr1= 53, 57,
igr2= 477, 478, 479, 473, 474, 475,
&end
#
# 4 PHE HB3 32 LEU QQD 4.86 (#SUP 2.17)
&rst
ixpk= 2, nxpk= 0, iat= 48, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2= 477, 478, 479, 473, 474, 475,
&end
#
# 6 ILE HG13 32 LEU QQD 4.95 (#SUP 1.06)
&rst
ixpk= 1, nxpk= 0, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr2= 477, 478, 479, 473, 474, 475,
&end
#
# 99 VAL QG2 111 THR HB 4.84 (#SUP 5.76)
&rst
ixpk= 5, nxpk= 0, iat= -1,1678, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1502,1503,1504,
&end
#
# 121 LEU HA 121 LEU QD1 3.95 (#SUP 7.30)
&rst
ixpk= 7, nxpk= 0, iat=1817, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1824,1825,1826,
&end
#
# 142 SER HB3 143 VAL QG1 4.68 (#SUP 5.85)
&rst
ixpk= 5, nxpk= 0, iat=2159, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=2171,2172,2173,
&end
#
# 28 LEU HN 68 VAL QG1 5.12 (#SUP 1.04)
&rst
ixpk= 1, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=1024,1025,1026,
&end
#
# 51 LEU HB2 51 LEU QD1 4.01 (#SUP 6.24)
&rst
ixpk= 6, nxpk= 0, iat= 763, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 768, 769, 770,
&end
#
# 142 SER HN 143 VAL QG1 3.83 (#SUP 6.91)
&rst
ixpk= 6, nxpk= 0, iat=2154, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=2171,2172,2173,
&end
#
# 26 LYS QB 27 GLY QA 4.25 (#SUP 2.26)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 370, 371,
igr2= 390, 391,
&end
#
# 24 ALA HA 27 GLY QA 4.54 (#SUP 1.62)
&rst
ixpk= 1, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 390, 391,
&end
#
# 27 GLY QA 30 ASP HN 4.75 (#SUP 4.97)
&rst
ixpk= 4, nxpk= 0, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 390, 391,
&end
#
# 35 LEU HA 35 LEU QD1 3.49 (#SUP 6.50)
&rst
ixpk= 6, nxpk= 0, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 519, 520, 521,
&end
#
# 93 LEU QD2 94 PHE HN 3.73 (#SUP 9.24)
&rst
ixpk= 9, nxpk= 0, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1396,1397,1398,
&end
#
# 63 ILE QG2 93 LEU QD2 3.59 (#SUP 4.36)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 949, 950, 951,
igr2=1396,1397,1398,
&end
#
# 93 LEU QD2 95 LEU QD2 5.48 (#SUP 5.22)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.90, r4= 8.40,
igr1=1396,1397,1398,
igr2=1435,1436,1437,
&end
#
# 74 LEU HN 147 LEU QD1 4.21 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=2246,2247,2248,
&end
#
# 147 LEU HA 147 LEU QD1 3.74 (#SUP 6.63)
&rst
ixpk= 6, nxpk= 0, iat=2239, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2246,2247,2248,
&end
#
# 146 HID HB3 147 LEU QD1 4.92 (#SUP 6.26)
&rst
ixpk= 6, nxpk= 0, iat=2225, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2=2246,2247,2248,
&end
#
# 147 LEU HB2 147 LEU QD1 4.24 (#SUP 6.50)
&rst
ixpk= 6, nxpk= 0, iat=2241, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=2246,2247,2248,
&end
#
# 14 VAL HB 44 VAL QG2 4.08 (#SUP 3.30)
&rst
ixpk= 3, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 647, 648, 649,
&end
#
# 25 LEU QD2 44 VAL QG2 4.29 (#SUP 1.97)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 360, 361, 362,
igr2= 647, 648, 649,
&end
#
# 44 VAL QG2 45 GLU HN 3.94 (#SUP 7.73)
&rst
ixpk= 7, nxpk= 0, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 647, 648, 649,
&end
#
# 130 LEU QD1 159 ILE HA 4.67 (#SUP 6.48)
&rst
ixpk= 6, nxpk= 0, iat= -1,2425, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1964,1965,1966,
&end
#
# 5 GLY HA3 6 ILE HG13 4.85 (#SUP 5.18)
&rst
ixpk= 5, nxpk= 0, iat= 66, 81, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 15 VAL HA 44 VAL QG2 4.63 (#SUP 5.13)
&rst
ixpk= 5, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 647, 648, 649,
&end
#
# 155 LEU HB2 156 PHE HN 4.49 (#SUP 8.22)
&rst
ixpk= 8, nxpk= 0, iat=2355,2370, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 100 GLU HN 111 THR QG2 4.84 (#SUP 3.10)
&rst
ixpk= 3, nxpk= 0, iat=1508, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1680,1681,1682,
&end
#
# 130 LEU QD1 158 GLN HA 4.41 (#SUP 1.96)
&rst
ixpk= 1, nxpk= 0, iat= -1,2408, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1964,1965,1966,
&end
#
# 109 VAL HN 111 THR QG2 4.63 (#SUP 3.43)
&rst
ixpk= 3, nxpk= 0, iat=1636, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1680,1681,1682,
&end
#
# 99 VAL QG1 157 VAL QG2 3.15 (#SUP 3.93)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1498,1499,1500,
igr2=2400,2401,2402,
&end
#
# 157 VAL HA 157 VAL QG1 3.46 (#SUP 5.19)
&rst
ixpk= 5, nxpk= 0, iat=2392, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=2396,2397,2398,
&end
#
# 132 ARG QD 157 VAL QG1 4.44 (#SUP 3.00)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=2001,2002,
igr2=2396,2397,2398,
&end
#
# 157 VAL QG1 158 GLN HN 3.58 (#SUP 6.35)
&rst
ixpk= 6, nxpk= 0, iat= -1,2406, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=2396,2397,2398,
&end
#
# 33 GLN HN 42 VAL QG2 4.80 (#SUP 8.65)
&rst
ixpk= 8, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 620, 621, 622,
&end
#
# 36 THR HB 42 VAL QG2 4.22 (#SUP 1.30)
&rst
ixpk= 1, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 620, 621, 622,
&end
#
# 42 VAL QG1 43 SER HA 5.04 (#SUP 4.48)
&rst
ixpk= 4, nxpk= 0, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 616, 617, 618,
&end
#
# 97 GLU QG 99 VAL QG1 4.82 (#SUP 2.82)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=1470,1471,
igr2=1498,1499,1500,
&end
#
# 14 VAL HN 14 VAL QG1 4.10 (#SUP 4.09)
&rst
ixpk= 4, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 186, 187, 188,
&end
#
# 16 TRP HA 66 GLY HA2 3.84 (#SUP 2.96)
&rst
ixpk= 2, nxpk= 0, iat= 214, 994, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 136 THR QG2 138 GLU HN 4.79 (#SUP 8.44)
&rst
ixpk= 8, nxpk= 0, iat= -1,2091, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=2069,2070,2071,
&end
#
# 120 THR QG2 127 VAL QG2 4.47 (#SUP 4.75)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=1807,1808,1809,
igr2=1912,1913,1914,
&end
#
# 120 THR QG2 127 VAL HN 4.95 (#SUP 1.36)
&rst
ixpk= 1, nxpk= 0, iat= -1,1902, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1807,1808,1809,
&end
#
# 143 VAL QG2 148 GLY HN 5.25 (#SUP 8.09)
&rst
ixpk= 8, nxpk= 0, iat= -1,2256, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=2175,2176,2177,
&end
#
# 143 VAL QG2 149 HID HN 4.49 (#SUP 9.93)
&rst
ixpk= 9, nxpk= 0, iat= -1,2263, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2175,2176,2177,
&end
#
# 143 VAL QG2 149 HID HB3 3.98 (#SUP 3.23)
&rst
ixpk= 3, nxpk= 0, iat= -1,2268, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=2175,2176,2177,
&end
#
# 109 VAL QG2 143 VAL QG2 5.02 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr1=1646,1647,1648,
igr2=2175,2176,2177,
&end
#
# 143 VAL QG2 147 LEU HN 4.09 (#SUP 5.20)
&rst
ixpk= 5, nxpk= 0, iat= -1,2237, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=2175,2176,2177,
&end
#
# 140 VAL HA 143 VAL QG2 4.51 (#SUP 3.27)
&rst
ixpk= 3, nxpk= 0, iat=2123, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=2175,2176,2177,
&end
#
# 157 VAL HN 157 VAL QG2 3.51 (#SUP 6.04)
&rst
ixpk= 6, nxpk= 0, iat=2390, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=2400,2401,2402,
&end
#
# 157 VAL QG2 159 ILE QD1 3.06 (#SUP 3.92)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2400,2401,2402,
igr2=2436,2437,2438,
&end
#
# 15 VAL QG1 16 TRP HN 3.83 (#SUP 7.17)
&rst
ixpk= 7, nxpk= 0, iat= -1, 212, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 202, 203, 204,
&end
#
# 127 VAL QG1 160 THR HN 4.53 (#SUP 3.29)
&rst
ixpk= 3, nxpk= 0, iat= -1,2442, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1908,1909,1910,
&end
#
# 42 VAL QG1 43 SER HN 3.71 (#SUP 7.24)
&rst
ixpk= 7, nxpk= 0, iat= -1, 626, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 616, 617, 618,
&end
#
# 42 VAL HN 42 VAL QG2 3.85 (#SUP 8.29)
&rst
ixpk= 8, nxpk= 0, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 620, 621, 622,
&end
#
# 29 VAL HA 42 VAL QG1 3.94 (#SUP 1.19)
&rst
ixpk= 1, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 616, 617, 618,
&end
#
# 32 LEU HB3 42 VAL QG1 3.42 (#SUP 4.14)
&rst
ixpk= 4, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 616, 617, 618,
&end
#
# 99 VAL QG1 100 GLU HN 3.91 (#SUP 6.26)
&rst
ixpk= 6, nxpk= 0, iat= -1,1508, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1498,1499,1500,
&end
#
# 99 VAL HN 99 VAL QG1 4.43 (#SUP 7.79)
&rst
ixpk= 7, nxpk= 0, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1498,1499,1500,
&end
#
# 65 SER HA 66 GLY HA3 4.63 (#SUP 4.74)
&rst
ixpk= 4, nxpk= 0, iat= 983, 995, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 136 THR QG2 139 GLU HN 4.54 (#SUP 5.92)
&rst
ixpk= 5, nxpk= 0, iat= -1,2106, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=2069,2070,2071,
&end
#
# 136 THR HA 136 THR QG2 3.13 (#SUP 5.25)
&rst
ixpk= 5, nxpk= 0, iat=2065, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=2069,2070,2071,
&end
#
# 120 THR QG2 125 VAL QG1 3.67 (#SUP 2.94)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=1807,1808,1809,
igr2=1877,1878,1879,
&end
#
# 120 THR QG2 124 LEU HN 4.75 (#SUP 6.83)
&rst
ixpk= 6, nxpk= 0, iat= -1,1852, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1807,1808,1809,
&end
#
# 132 ARG HA 157 VAL QG1 3.55 (#SUP 9.61)
&rst
ixpk= 9, nxpk= 0, iat=1993, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=2396,2397,2398,
&end
#
# 131 GLN HN 157 VAL QG1 4.53 (#SUP 7.63)
&rst
ixpk= 7, nxpk= 0, iat=1974, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=2396,2397,2398,
&end
#
# 132 ARG HB3 157 VAL QG1 3.64 (#SUP 4.17)
&rst
ixpk= 4, nxpk= 0, iat=1996, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=2396,2397,2398,
&end
#
# 119 LEU HN 127 VAL QG1 4.66 (#SUP 2.43)
&rst
ixpk= 2, nxpk= 0, iat=1782, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1908,1909,1910,
&end
#
# 125 VAL QG1 164 PRO HA 4.17 (#SUP 6.98)
&rst
ixpk= 6, nxpk= 0, iat= -1,2517, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1877,1878,1879,
&end
#
# 127 VAL QG1 128 LYS HN 3.41 (#SUP 6.99)
&rst
ixpk= 6, nxpk= 0, iat= -1,1918, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1=1908,1909,1910,
&end
#
# 15 VAL QG1 47 ILE HB 4.05 (#SUP 4.61)
&rst
ixpk= 4, nxpk= 0, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 202, 203, 204,
&end
#
# 15 VAL QG1 65 SER HA 4.27 (#SUP 5.82)
&rst
ixpk= 5, nxpk= 0, iat= -1, 983, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 202, 203, 204,
&end
#
# 25 LEU QD1 44 VAL QG1 4.95 (#SUP 1.87)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 356, 357, 358,
igr2= 643, 644, 645,
&end
#
# 100 GLU HG3 109 VAL QG1 4.55 (#SUP 2.67)
&rst
ixpk= 2, nxpk= 0, iat=1516, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1642,1643,1644,
&end
#
# 17 ASP HB2 73 THR QG2 4.82 (#SUP 1.50)
&rst
ixpk= 1, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1086,1087,1088,
&end
#
# 73 THR QG2 74 LEU HG 5.44 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= -1,1101, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1086,1087,1088,
&end
#
# 127 VAL QG1 161 GLY HA2 4.95 (#SUP 6.57)
&rst
ixpk= 6, nxpk= 0, iat= -1,2458, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1908,1909,1910,
&end
#
# 90 GLY HA3 162 LYS QD 4.37 (#SUP 1.83)
&rst
ixpk= 1, nxpk= 0, iat=1361, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=2473,2474,
&end
#
# 90 GLY HA3 162 LYS HG2 4.75 (#SUP 4.44)
&rst
ixpk= 4, nxpk= 0, iat=1361,2470, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 120 THR QG2 121 LEU QD2 4.75 (#SUP 5.33)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1=1807,1808,1809,
igr2=1828,1829,1830,
&end
#
# 36 THR QG2 42 VAL HA 4.84 (#SUP 1.06)
&rst
ixpk= 1, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 535, 536, 537,
&end
#
# 93 LEU HB3 93 LEU QD1 4.01 (#SUP 6.78)
&rst
ixpk= 6, nxpk= 0, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1392,1393,1394,
&end
#
# 21 PRO HD2 68 VAL QG2 4.45 (#SUP 5.43)
&rst
ixpk= 5, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1028,1029,1030,
&end
#
# 73 THR QG2 74 LEU HB3 5.50 (#SUP 8.89)
&rst
ixpk= 8, nxpk= 0, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1086,1087,1088,
&end
#
# 161 GLY HA2 162 LYS HN 3.31 (#SUP 5.14)
&rst
ixpk= 5, nxpk= 0, iat=2458,2463, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 93 LEU HB3 161 GLY HA3 4.20 (#SUP 2.87)
&rst
ixpk= 2, nxpk= 0, iat=1388,2459, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 22 VAL QG2 25 LEU QD1 3.98 (#SUP 4.60)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 316, 317, 318,
igr2= 356, 357, 358,
&end
#
# 25 LEU QD2 68 VAL QG2 5.02 (#SUP 1.91)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr1= 360, 361, 362,
igr2=1028,1029,1030,
&end
#
# 14 VAL QG2 64 LEU HB3 4.51 (#SUP 3.81)
&rst
ixpk= 3, nxpk= 0, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 190, 191, 192,
&end
#
# 101 THR HB 102 ALA HN 4.98 (#SUP 4.81)
&rst
ixpk= 4, nxpk= 0, iat=1527,1537, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 72 THR QG2 139 GLU HB3 4.56 (#SUP 3.00)
&rst
ixpk= 3, nxpk= 0, iat= -1,2111, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1072,1073,1074,
&end
#
# 72 THR QG2 135 LEU QD2 4.82 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr1=1072,1073,1074,
igr2=2057,2058,2059,
&end
#
# 135 LEU QD2 140 VAL QG2 4.74 (#SUP 3.34)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
igr1=2057,2058,2059,
igr2=2131,2132,2133,
&end
#
# 21 PRO HA 22 VAL QG2 4.11 (#SUP 5.48)
&rst
ixpk= 5, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 316, 317, 318,
&end
#
# 22 VAL QG2 25 LEU HB2 4.80 (#SUP 2.00)
&rst
ixpk= 2, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 316, 317, 318,
&end
#
# 14 VAL QG2 28 LEU HB2 4.70 (#SUP 1.05)
&rst
ixpk= 1, nxpk= 0, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 190, 191, 192,
&end
#
# 14 VAL QG2 25 LEU QD1 5.50 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 190, 191, 192,
igr2= 356, 357, 358,
&end
#
# 91 GLY HA2 163 LYS HB3 4.66 (#SUP 3.31)
&rst
ixpk= 3, nxpk= 0, iat=1367,2490, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 72 THR QG2 142 SER HN 5.05 (#SUP 4.21)
&rst
ixpk= 4, nxpk= 0, iat= -1,2154, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1072,1073,1074,
&end
#
# 72 THR HA 72 THR QG2 3.34 (#SUP 3.80)
&rst
ixpk= 3, nxpk= 0, iat=1068, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1072,1073,1074,
&end
#
# 100 GLU HG2 154 LEU HB3 4.34 (#SUP 0.88)
&rst
ixpk= 0, nxpk= 0, iat=1515,2337, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 29 VAL QG2 30 ASP HN 4.04 (#SUP 6.28)
&rst
ixpk= 6, nxpk= 0, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 424, 425, 426,
&end
#
# 124 LEU QQD 164 PRO HD3 4.79 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= -1,2509, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1=1865,1866,1867,1861,1862,1863,
&end
#
# 119 LEU HG 124 LEU QQD 4.80 (#SUP 0.02)
&rst
ixpk= 0, nxpk= 0, iat=1789, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=1865,1866,1867,1861,1862,1863,
&end
#
# 22 VAL QG1 26 LYS QB 4.97 (#SUP 6.46)
&rst
ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 312, 313, 314,
igr2= 370, 371,
&end
#
# 15 VAL QG2 65 SER HB2 5.44 (#SUP 5.22)
&rst
ixpk= 5, nxpk= 0, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 206, 207, 208,
&end
#
# 14 VAL HA 15 VAL QG2 4.70 (#SUP 7.11)
&rst
ixpk= 7, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 206, 207, 208,
&end
#
# 13 ALA QB 15 VAL QG2 5.44 (#SUP 3.96)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 174, 175, 176,
igr2= 206, 207, 208,
&end
#
# 93 LEU HN 124 LEU QQD 4.89 (#SUP 2.27)
&rst
ixpk= 2, nxpk= 0, iat=1383, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=1865,1866,1867,1861,1862,1863,
&end
#
# 70 GLY HA2 133 GLU HG3 4.09 (#SUP 5.62)
&rst
ixpk= 5, nxpk= 0, iat=1050,2023, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 9 GLY HA2 39 GLU HB3 4.50 (#SUP 7.35)
&rst
ixpk= 7, nxpk= 0, iat= 112, 569, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 70 GLY HA3 139 GLU HG2 4.75 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat=1051,2113, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 9 GLY HA3 40 GLY HN 4.61 (#SUP 7.38)
&rst
ixpk= 7, nxpk= 0, iat= 113, 579, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 9 GLY HA3 39 GLU HB3 4.50 (#SUP 5.52)
&rst
ixpk= 5, nxpk= 0, iat= 113, 569, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 102 ALA QB 153 ASN HD21 5.29 (#SUP 2.25)
&rst
ixpk= 2, nxpk= 0, iat= -1,2327, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1541,1542,1543,
&end
#
# 22 VAL QG1 26 LYS HN 4.59 (#SUP 7.42)
&rst
ixpk= 7, nxpk= 0, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 312, 313, 314,
&end
#
# 103 VAL QG1 107 SER HB3 4.58 (#SUP 3.77)
&rst
ixpk= 3, nxpk= 0, iat= -1,1608, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1553,1554,1555,
&end
#
# 102 ALA HN 103 VAL QG2 4.95 (#SUP 4.48)
&rst
ixpk= 4, nxpk= 0, iat=1537, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1557,1558,1559,
&end
#
# 109 VAL QG2 110 LYS HN 4.86 (#SUP 6.80)
&rst
ixpk= 6, nxpk= 0, iat= -1,1652, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1646,1647,1648,
&end
#
# 109 VAL HN 109 VAL QG2 4.19 (#SUP 7.56)
&rst
ixpk= 7, nxpk= 0, iat=1636, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1646,1647,1648,
&end
#
# 123 GLY HA2 172 ARG HB2 4.77 (#SUP 0.62)
&rst
ixpk= 0, nxpk= 0, iat=1847,2619, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 103 VAL HN 103 VAL QG1 4.01 (#SUP 5.45)
&rst
ixpk= 5, nxpk= 0, iat=1547, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1553,1554,1555,
&end
#
# 9 GLY HA3 40 GLY HA3 4.63 (#SUP 6.17)
&rst
ixpk= 6, nxpk= 0, iat= 113, 582, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 10 GLN HN 40 GLY HA3 4.68 (#SUP 5.67)
&rst
ixpk= 5, nxpk= 0, iat= 117, 582, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 29 VAL HA 31 LYS QG 4.58 (#SUP 5.23)
&rst
ixpk= 5, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 449, 450,
&end
#
# 61 ASP HB2 62 ILE HB 4.18 (#SUP 8.17)
&rst
ixpk= 8, nxpk= 0, iat= 916, 928, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 9 GLY HN 40 GLY HA2 4.52 (#SUP 5.86)
&rst
ixpk= 5, nxpk= 0, iat= 110, 581, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 9 GLY HA3 40 GLY HA2 4.55 (#SUP 5.26)
&rst
ixpk= 5, nxpk= 0, iat= 113, 581, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 11 PHE HA 40 GLY HA3 4.74 (#SUP 5.73)
&rst
ixpk= 5, nxpk= 0, iat= 136, 582, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 9 GLY HN 40 GLY HA3 4.43 (#SUP 6.79)
&rst
ixpk= 6, nxpk= 0, iat= 110, 582, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 135 LEU QD2 140 VAL HA 4.70 (#SUP 3.95)
&rst
ixpk= 3, nxpk= 0, iat= -1,2123, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=2057,2058,2059,
&end
#
# 88 ARG HN 88 ARG HD2 4.45 (#SUP 8.80)
&rst
ixpk= 8, nxpk= 0, iat=1320,1330, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 60 PHE HA 88 ARG HD3 4.81 (#SUP 2.59)
&rst
ixpk= 2, nxpk= 0, iat= 894,1331, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 61 ASP HN 88 ARG HD3 4.34 (#SUP 5.09)
&rst
ixpk= 5, nxpk= 0, iat= 912,1331, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 130 LEU QB 131 GLN HN 4.77 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= -1,1974, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1959,1960,
&end
#
# 61 ASP HA 88 ARG HD2 4.56 (#SUP 3.89)
&rst
ixpk= 3, nxpk= 0, iat= 914,1330, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 144 ARG QD 145 GLU HN 4.22 (#SUP 9.75)
&rst
ixpk= 9, nxpk= 0, iat= -1,2205, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=2191,2192,
&end
#
# 144 ARG HB3 144 ARG QD 3.08 (#SUP 8.25)
&rst
ixpk= 8, nxpk= 0, iat=2186, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2=2191,2192,
&end
#
# 144 ARG HG2 144 ARG QD 2.90 (#SUP 7.79)
&rst
ixpk= 7, nxpk= 0, iat=2188, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2=2191,2192,
&end
#
# 11 PHE QD 41 ARG HD2 5.03 (#SUP 7.68)
&rst
ixpk= 7, nxpk= 0, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 142, 150,
&end
#
# 41 ARG HA 41 ARG HD2 4.15 (#SUP 6.49)
&rst
ixpk= 6, nxpk= 0, iat= 588, 596, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 41 ARG QB 41 ARG HD2 3.04 (#SUP 5.11)
&rst
ixpk= 5, nxpk= 0, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr1= 590, 591,
&end
#
# 41 ARG QB 41 ARG HD3 3.07 (#SUP 5.56)
&rst
ixpk= 5, nxpk= 0, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr1= 590, 591,
&end
#
# 24 ALA QB 28 LEU QD1 3.70 (#SUP 2.02)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 341, 342, 343,
igr2= 404, 405, 406,
&end
#
# 20 SER HB3 24 ALA QB 4.52 (#SUP 6.51)
&rst
ixpk= 6, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 341, 342, 343,
&end
#
# 24 ALA QB 69 PRO HD3 4.10 (#SUP 3.00)
&rst
ixpk= 3, nxpk= 0, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 341, 342, 343,
&end
#
# 21 PRO HB2 24 ALA QB 4.54 (#SUP 7.03)
&rst
ixpk= 7, nxpk= 0, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 341, 342, 343,
&end
#
# 99 VAL QG2 100 GLU HN 4.00 (#SUP 7.48)
&rst
ixpk= 7, nxpk= 0, iat= -1,1508, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1502,1503,1504,
&end
#
# 99 VAL QG2 112 ALA HA 4.61 (#SUP 6.29)
&rst
ixpk= 6, nxpk= 0, iat= -1,1690, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1502,1503,1504,
&end
#
# 13 ALA QB 14 VAL HN 3.68 (#SUP 6.37)
&rst
ixpk= 6, nxpk= 0, iat= -1, 180, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 174, 175, 176,
&end
#
# 13 ALA HN 13 ALA QB 3.66 (#SUP 4.65)
&rst
ixpk= 4, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 174, 175, 176,
&end
#
# 13 ALA QB 63 ILE HG13 4.06 (#SUP 7.18)
&rst
ixpk= 7, nxpk= 0, iat= -1, 954, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 174, 175, 176,
&end
#
# 85 ARG HB3 85 ARG HD3 4.12 (#SUP 6.42)
&rst
ixpk= 6, nxpk= 0, iat=1263,1269, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 29 VAL HA 32 LEU HB2 4.75 (#SUP 4.19)
&rst
ixpk= 4, nxpk= 0, iat= 416, 468, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 12 VAL QG2 62 ILE HB 4.64 (#SUP 6.62)
&rst
ixpk= 6, nxpk= 0, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 164, 165, 166,
&end
#
# 159 ILE HB 160 THR HN 4.05 (#SUP 6.12)
&rst
ixpk= 6, nxpk= 0, iat=2427,2442, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 128 LYS HE3 160 THR QG2 4.59 (#SUP 4.95)
&rst
ixpk= 4, nxpk= 0, iat=1932, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=2448,2449,2450,
&end
#
# 127 VAL HA 160 THR QG2 5.20 (#SUP 7.04)
&rst
ixpk= 7, nxpk= 0, iat=1904, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=2448,2449,2450,
&end
#
# 6 ILE QG2 10 GLN HN 5.18 (#SUP 3.24)
&rst
ixpk= 3, nxpk= 0, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 76, 77, 78,
&end
#
# 99 VAL QG2 155 LEU HB3 4.33 (#SUP 1.80)
&rst
ixpk= 1, nxpk= 0, iat= -1,2356, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1502,1503,1504,
&end
#
# 99 VAL QG2 157 VAL HB 4.57 (#SUP 3.83)
&rst
ixpk= 3, nxpk= 0, iat= -1,2394, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1502,1503,1504,
&end
#
# 99 VAL QG2 112 ALA QB 4.06 (#SUP 6.98)
&rst
ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1502,1503,1504,
igr2=1692,1693,1694,
&end
#
# 99 VAL QG2 157 VAL QG2 3.78 (#SUP 4.67)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1502,1503,1504,
igr2=2400,2401,2402,
&end
#
# 13 ALA QB 43 SER HN 4.58 (#SUP 7.94)
&rst
ixpk= 7, nxpk= 0, iat= -1, 626, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 174, 175, 176,
&end
#
# 130 LEU QB 160 THR QG2 3.63 (#SUP 2.54)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1959,1960,
igr2=2448,2449,2450,
&end
#
# 4 PHE HB2 6 ILE QG2 4.80 (#SUP 2.39)
&rst
ixpk= 2, nxpk= 0, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 76, 77, 78,
&end
#
# 7 SER QB 8 ALA QB 4.13 (#SUP 4.70)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 93, 94,
igr2= 104, 105, 106,
&end
#
# 8 ALA QB 10 GLN HN 4.64 (#SUP 5.13)
&rst
ixpk= 5, nxpk= 0, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 104, 105, 106,
&end
#
# 96 LYS QD 159 ILE QD1 4.68 (#SUP 2.31)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1=1451,1452,
igr2=2436,2437,2438,
&end
#
# 120 THR HA 125 VAL QG1 5.20 (#SUP 2.00)
&rst
ixpk= 2, nxpk= 0, iat=1803, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=1877,1878,1879,
&end
#
# 31 LYS QE 35 LEU QD2 5.01 (#SUP 2.15)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 455, 456,
igr2= 523, 524, 525,
&end
#
# 28 LEU HB2 28 LEU QD2 4.22 (#SUP 4.34)
&rst
ixpk= 4, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 408, 409, 410,
&end
#
# 76 SER HA 77 ALA QB 4.75 (#SUP 4.95)
&rst
ixpk= 4, nxpk= 0, iat=1132, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1145,1146,1147,
&end
#
# 8 ALA HN 8 ALA QB 2.87 (#SUP 5.20)
&rst
ixpk= 5, nxpk= 0, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2= 104, 105, 106,
&end
#
# 8 ALA QB 9 GLY HN 3.43 (#SUP 4.97)
&rst
ixpk= 4, nxpk= 0, iat= -1, 110, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 104, 105, 106,
&end
#
# 8 ALA QB 39 GLU HB2 4.69 (#SUP 4.36)
&rst
ixpk= 4, nxpk= 0, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 104, 105, 106,
&end
#
# 137 PRO HA 141 GLN HN 4.39 (#SUP 4.25)
&rst
ixpk= 4, nxpk= 0, iat=2087,2137, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 7 SER QB 10 GLN HN 4.51 (#SUP 8.34)
&rst
ixpk= 8, nxpk= 0, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 93, 94,
&end
#
# 7 SER HN 7 SER QB 3.38 (#SUP 5.22)
&rst
ixpk= 5, nxpk= 0, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 93, 94,
&end
#
# 7 SER QB 8 ALA HN 2.99 (#SUP 3.69)
&rst
ixpk= 3, nxpk= 0, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 93, 94,
&end
#
# 7 SER QB 10 GLN HG3 4.01 (#SUP 5.36)
&rst
ixpk= 5, nxpk= 0, iat= -1, 125, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 93, 94,
&end
#
# 6 ILE QG2 7 SER QB 4.33 (#SUP 5.91)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 76, 77, 78,
igr2= 93, 94,
&end
#
# 7 SER QB 10 GLN HG2 4.88 (#SUP 6.56)
&rst
ixpk= 6, nxpk= 0, iat= -1, 124, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 93, 94,
&end
#
# 83 ILE HA 83 ILE QD1 3.43 (#SUP 6.31)
&rst
ixpk= 6, nxpk= 0, iat=1231, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1242,1243,1244,
&end
#
# 114 LYS QD 114 LYS QE 2.98 (#SUP 3.96)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1=1719,1720,
igr2=1722,1723,
&end
#
# 22 VAL QG1 26 LYS QE 4.50 (#SUP 2.17)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 312, 313, 314,
igr2= 379, 380,
&end
#
# 26 LYS HA 26 LYS QE 4.79 (#SUP 5.59)
&rst
ixpk= 5, nxpk= 0, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 379, 380,
&end
#
# 127 VAL HA 128 LYS HE3 4.38 (#SUP 4.84)
&rst
ixpk= 4, nxpk= 0, iat=1904,1932, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 162 LYS HG2 162 LYS QE 3.83 (#SUP 8.53)
&rst
ixpk= 8, nxpk= 0, iat=2470, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=2476,2477,
&end
#
# 126 GLU HB2 162 LYS QE 4.82 (#SUP 1.74)
&rst
ixpk= 1, nxpk= 0, iat=1891, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2=2476,2477,
&end
#
# 28 LEU HB3 29 VAL HN 4.71 (#SUP 8.42)
&rst
ixpk= 8, nxpk= 0, iat= 400, 414, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 112 ALA HN 112 ALA QB 3.20 (#SUP 6.89)
&rst
ixpk= 6, nxpk= 0, iat=1688, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1692,1693,1694,
&end
#
# 111 THR HA 112 ALA QB 4.42 (#SUP 4.98)
&rst
ixpk= 4, nxpk= 0, iat=1676, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1692,1693,1694,
&end
#
# 99 VAL QG1 112 ALA QB 3.51 (#SUP 7.15)
&rst
ixpk= 7, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1498,1499,1500,
igr2=1692,1693,1694,
&end
#
# 99 VAL HA 112 ALA QB 4.21 (#SUP 3.87)
&rst
ixpk= 3, nxpk= 0, iat=1494, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1692,1693,1694,
&end
#
# 55 HID HN 86 ILE QG2 4.74 (#SUP 3.65)
&rst
ixpk= 3, nxpk= 0, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1288,1289,1290,
&end
#
# 86 ILE HA 86 ILE QG2 3.69 (#SUP 6.46)
&rst
ixpk= 6, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1288,1289,1290,
&end
#
# 55 HID HB2 86 ILE QG2 3.71 (#SUP 5.64)
&rst
ixpk= 5, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1288,1289,1290,
&end
#
# 86 ILE QG2 86 ILE HG12 4.04 (#SUP 5.27)
&rst
ixpk= 5, nxpk= 0, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1288,1289,1290,
&end
#
# 83 ILE HA 86 ILE QG2 5.16 (#SUP 4.93)
&rst
ixpk= 4, nxpk= 0, iat=1231, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=1288,1289,1290,
&end
#
# 63 ILE HN 83 ILE QG2 5.23 (#SUP 2.03)
&rst
ixpk= 2, nxpk= 0, iat= 943, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2=1235,1236,1237,
&end
#
# 81 ALA HN 81 ALA QB 2.84 (#SUP 4.24)
&rst
ixpk= 4, nxpk= 0, iat=1204, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2=1208,1209,1210,
&end
#
# 81 ALA QB 82 GLU HA 4.49 (#SUP 3.52)
&rst
ixpk= 3, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1208,1209,1210,
&end
#
# 34 ALA HN 34 ALA QB 2.81 (#SUP 8.55)
&rst
ixpk= 8, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 504, 505, 506,
&end
#
# 84 ALA QB 85 ARG HB2 5.22 (#SUP 5.81)
&rst
ixpk= 5, nxpk= 0, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=1252,1253,1254,
&end
#
# 10 GLN HE22 62 ILE QD1 4.93 (#SUP 3.14)
&rst
ixpk= 3, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 937, 938, 939,
&end
#
# 83 ILE HN 83 ILE QG2 4.30 (#SUP 7.16)
&rst
ixpk= 7, nxpk= 0, iat=1229, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1235,1236,1237,
&end
#
# 64 LEU HN 83 ILE QG2 5.21 (#SUP 1.68)
&rst
ixpk= 1, nxpk= 0, iat= 962, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=1235,1236,1237,
&end
#
# 47 ILE HA 50 LEU HN 4.74 (#SUP 1.97)
&rst
ixpk= 1, nxpk= 0, iat= 684, 740, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 59 SER HB2 60 PHE HA 4.59 (#SUP 6.78)
&rst
ixpk= 6, nxpk= 0, iat= 885, 894, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 60 PHE HB2 63 ILE HG12 4.69 (#SUP 3.12)
&rst
ixpk= 3, nxpk= 0, iat= 896, 953, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 64 LEU QD1 94 PHE HB2 4.92 (#SUP 7.36)
&rst
ixpk= 7, nxpk= 0, iat= -1,1406, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 971, 972, 973,
&end
#
# 60 PHE HB3 86 ILE QD1 4.45 (#SUP 4.21)
&rst
ixpk= 4, nxpk= 0, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1295,1296,1297,
&end
#
# 60 PHE HB3 62 ILE HN 4.48 (#SUP 6.80)
&rst
ixpk= 6, nxpk= 0, iat= 897, 924, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 119 LEU HB2 127 VAL QG1 5.23 (#SUP 2.23)
&rst
ixpk= 2, nxpk= 0, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2=1908,1909,1910,
&end
#
# 147 LEU HB3 149 HID HN 4.19 (#SUP 6.10)
&rst
ixpk= 6, nxpk= 0, iat=2242,2263, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 84 ALA HN 84 ALA QB 3.04 (#SUP 5.93)
&rst
ixpk= 5, nxpk= 0, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=1252,1253,1254,
&end
#
# 81 ALA HA 84 ALA QB 3.61 (#SUP 3.76)
&rst
ixpk= 3, nxpk= 0, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1252,1253,1254,
&end
#
# 1 MET HB3 6 ILE QD1 3.68 (#SUP 1.62)
&rst
ixpk= 1, nxpk= 0, iat= 9, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 83, 84, 85,
&end
#
# 119 LEU HB3 119 LEU QD1 3.91 (#SUP 5.55)
&rst
ixpk= 5, nxpk= 0, iat=1787, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1791,1792,1793,
&end
#
# 84 ALA QB 124 LEU QQD 3.78 (#SUP 5.22)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1252,1253,1254,
igr2=1865,1866,1867,1861,1862,1863,
&end
#
# 84 ALA QB 124 LEU HN 4.87 (#SUP 2.41)
&rst
ixpk= 2, nxpk= 0, iat= -1,1852, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=1252,1253,1254,
&end
#
# 7 SER HN 62 ILE QD1 5.14 (#SUP 2.82)
&rst
ixpk= 2, nxpk= 0, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 937, 938, 939,
&end
#
# 62 ILE HN 62 ILE QD1 4.94 (#SUP 6.69)
&rst
ixpk= 6, nxpk= 0, iat= 924, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 937, 938, 939,
&end
#
# 6 ILE HA 62 ILE QD1 4.96 (#SUP 3.14)
&rst
ixpk= 3, nxpk= 0, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 937, 938, 939,
&end
#
# 10 GLN HG3 62 ILE QD1 5.23 (#SUP 1.30)
&rst
ixpk= 1, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2= 937, 938, 939,
&end
#
# 62 ILE HA 62 ILE QD1 3.67 (#SUP 5.57)
&rst
ixpk= 5, nxpk= 0, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 937, 938, 939,
&end
#
# 17 ASP HB3 47 ILE QG2 3.96 (#SUP 4.69)
&rst
ixpk= 4, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 688, 689, 690,
&end
#
# 17 ASP HB2 47 ILE QG2 3.80 (#SUP 6.30)
&rst
ixpk= 6, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 688, 689, 690,
&end
#
# 47 ILE QG2 47 ILE QD1 3.64 (#SUP 6.33)
&rst
ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 688, 689, 690,
igr2= 695, 696, 697,
&end
#
# 125 VAL QG2 162 LYS HA 4.92 (#SUP 5.44)
&rst
ixpk= 5, nxpk= 0, iat= -1,2465, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=1881,1882,1883,
&end
#
# 125 VAL QG2 162 LYS HN 4.58 (#SUP 8.00)
&rst
ixpk= 8, nxpk= 0, iat= -1,2463, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1881,1882,1883,
&end
#
# 125 VAL QG2 164 PRO HA 3.39 (#SUP 7.94)
&rst
ixpk= 7, nxpk= 0, iat= -1,2517, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1=1881,1882,1883,
&end
#
# 125 VAL QG2 126 GLU QG 3.39 (#SUP 6.38)
&rst
ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=1881,1882,1883,
igr2=1894,1895,
&end
#
# 125 VAL QG2 127 VAL HN 5.06 (#SUP 5.80)
&rst
ixpk= 5, nxpk= 0, iat= -1,1902, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1881,1882,1883,
&end
#
# 76 SER HB3 77 ALA HN 3.76 (#SUP 4.89)
&rst
ixpk= 4, nxpk= 0, iat=1135,1141, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 76 SER HN 76 SER HB2 3.82 (#SUP 6.63)
&rst
ixpk= 6, nxpk= 0, iat=1130,1134, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 13 ALA HN 60 PHE HB2 4.25 (#SUP 4.91)
&rst
ixpk= 4, nxpk= 0, iat= 170, 896, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 60 PHE HB2 87 LEU HA 4.47 (#SUP 5.54)
&rst
ixpk= 5, nxpk= 0, iat= 896,1303, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 56 LYS QD 59 SER HB3 4.46 (#SUP 3.91)
&rst
ixpk= 3, nxpk= 0, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 843, 844,
&end
#
# 94 PHE HN 94 PHE HB2 4.20 (#SUP 7.49)
&rst
ixpk= 7, nxpk= 0, iat=1402,1406, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 79 ILE QG2 80 LEU HN 3.75 (#SUP 8.34)
&rst
ixpk= 8, nxpk= 0, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1=1172,1173,1174,
&end
#
# 75 HID HA 79 ILE QG2 4.64 (#SUP 4.28)
&rst
ixpk= 4, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1172,1173,1174,
&end
#
# 25 LEU HB2 26 LYS HN 4.34 (#SUP 8.71)
&rst
ixpk= 8, nxpk= 0, iat= 351, 366, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 121 LEU HB2 121 LEU QD1 4.05 (#SUP 7.01)
&rst
ixpk= 7, nxpk= 0, iat=1819, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1824,1825,1826,
&end
#
# 121 LEU HB2 122 SER HA 4.75 (#SUP 5.34)
&rst
ixpk= 5, nxpk= 0, iat=1819,1836, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 121 LEU HN 121 LEU HB3 3.84 (#SUP 9.52)
&rst
ixpk= 9, nxpk= 0, iat=1815,1820, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 121 LEU HB3 121 LEU QD2 3.90 (#SUP 6.83)
&rst
ixpk= 6, nxpk= 0, iat=1820, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1828,1829,1830,
&end
#
# 54 ALA QB 56 LYS HN 4.97 (#SUP 3.03)
&rst
ixpk= 3, nxpk= 0, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 810, 811, 812,
&end
#
# 133 GLU HN 156 PHE HB3 4.47 (#SUP 8.44)
&rst
ixpk= 8, nxpk= 0, iat=2015,2375, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 156 PHE HB2 157 VAL HN 4.62 (#SUP 6.18)
&rst
ixpk= 6, nxpk= 0, iat=2374,2390, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 133 GLU HG2 156 PHE HB2 4.79 (#SUP 4.20)
&rst
ixpk= 4, nxpk= 0, iat=2022,2374, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 95 LEU QD2 118 ALA QB 5.24 (#SUP 1.39)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1435,1436,1437,
igr2=1776,1777,1778,
&end
#
# 115 LEU QD2 118 ALA QB 4.39 (#SUP 4.34)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1=1744,1745,1746,
igr2=1776,1777,1778,
&end
#
# 118 ALA QB 119 LEU HA 3.83 (#SUP 4.47)
&rst
ixpk= 4, nxpk= 0, iat= -1,1784, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1776,1777,1778,
&end
#
# 54 ALA QB 82 GLU QG 4.69 (#SUP 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 810, 811, 812,
igr2=1221,1222,
&end
#
# 156 PHE HB3 157 VAL HA 4.73 (#SUP 6.96)
&rst
ixpk= 6, nxpk= 0, iat=2375,2392, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 118 ALA QB 121 LEU HN 4.99 (#SUP 2.25)
&rst
ixpk= 2, nxpk= 0, iat= -1,1815, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1776,1777,1778,
&end
#
# 63 ILE HB 93 LEU QD2 3.78 (#SUP 4.52)
&rst
ixpk= 4, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1396,1397,1398,
&end
#
# 43 SER HN 43 SER HB2 3.77 (#SUP 5.65)
&rst
ixpk= 5, nxpk= 0, iat= 626, 630, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 43 SER HB3 44 VAL HN 3.91 (#SUP 6.99)
&rst
ixpk= 6, nxpk= 0, iat= 631, 637, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 43 SER HN 43 SER HB3 3.52 (#SUP 6.81)
&rst
ixpk= 6, nxpk= 0, iat= 626, 631, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 42 VAL QG1 43 SER HB3 5.12 (#SUP 4.86)
&rst
ixpk= 4, nxpk= 0, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 616, 617, 618,
&end
#
# 42 VAL HA 43 SER HB3 4.81 (#SUP 5.44)
&rst
ixpk= 5, nxpk= 0, iat= 612, 631, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 51 LEU HB2 52 GLN HN 4.57 (#SUP 5.81)
&rst
ixpk= 5, nxpk= 0, iat= 763, 778, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 80 LEU HB2 81 ALA HN 4.59 (#SUP 6.94)
&rst
ixpk= 6, nxpk= 0, iat=1189,1204, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 43 SER HB2 55 HID HE1 4.88 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 630, 826, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 151 SER HB2 154 LEU HG 4.28 (#SUP 7.09)
&rst
ixpk= 7, nxpk= 0, iat=2299,2339, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 151 SER HB2 154 LEU QQD 4.47 (#SUP 6.31)
&rst
ixpk= 6, nxpk= 0, iat=2299, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=2345,2346,2347,2341,2342,2343,
&end
#
# 151 SER HB3 154 LEU HN 4.03 (#SUP 6.14)
&rst
ixpk= 6, nxpk= 0, iat=2300,2332, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 151 SER HB3 154 LEU HB2 4.72 (#SUP 4.85)
&rst
ixpk= 4, nxpk= 0, iat=2300,2336, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 29 VAL QG2 30 ASP HB2 5.50 (#SUP 5.26)
&rst
ixpk= 5, nxpk= 0, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 424, 425, 426,
&end
#
# 10 GLN HN 36 THR HA 4.41 (#SUP 2.00)
&rst
ixpk= 2, nxpk= 0, iat= 117, 531, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 27 GLY QA 30 ASP HB2 3.85 (#SUP 3.24)
&rst
ixpk= 3, nxpk= 0, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 390, 391,
&end
#
# 30 ASP HN 30 ASP HB3 3.44 (#SUP 6.00)
&rst
ixpk= 6, nxpk= 0, iat= 430, 435, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 103 VAL QG2 107 SER HB2 4.91 (#SUP 1.14)
&rst
ixpk= 1, nxpk= 0, iat= -1,1607, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1557,1558,1559,
&end
#
# 116 CYS HA 119 LEU HB3 4.19 (#SUP 5.28)
&rst
ixpk= 5, nxpk= 0, iat=1752,1787, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 115 LEU QD1 116 CYS HA 3.61 (#SUP 5.69)
&rst
ixpk= 5, nxpk= 0, iat= -1,1752, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=1740,1741,1742,
&end
#
# 116 CYS HA 119 LEU HB2 4.37 (#SUP 4.66)
&rst
ixpk= 4, nxpk= 0, iat=1752,1786, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 170 SER QB 171 SER HN 4.63 (#SUP 3.19)
&rst
ixpk= 3, nxpk= 0, iat= -1,2604, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=2597,2598,
&end
#
# 171 SER QB 172 ARG HB3 4.67 (#SUP 3.67)
&rst
ixpk= 3, nxpk= 0, iat= -1,2620, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=2608,2609,
&end
#
# 15 VAL QG1 65 SER HB3 5.27 (#SUP 4.96)
&rst
ixpk= 4, nxpk= 0, iat= -1, 986, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 202, 203, 204,
&end
#
# 119 LEU QD1 122 SER HB2 4.46 (#SUP 2.51)
&rst
ixpk= 2, nxpk= 0, iat= -1,1838, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=1791,1792,1793,
&end
#
# 170 SER HN 170 SER QB 4.08 (#SUP 1.66)
&rst
ixpk= 1, nxpk= 0, iat=2593, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=2597,2598,
&end
#
# 81 ALA QB 122 SER HB3 5.07 (#SUP 4.35)
&rst
ixpk= 4, nxpk= 0, iat= -1,1839, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1208,1209,1210,
&end
#
# 47 ILE QD1 65 SER HB2 4.25 (#SUP 4.10)
&rst
ixpk= 4, nxpk= 0, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 695, 696, 697,
&end
#
# 65 SER HB2 95 LEU QB 4.38 (#SUP 4.59)
&rst
ixpk= 4, nxpk= 0, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1426,1427,
&end
#
# 122 SER HB2 124 LEU HN 4.71 (#SUP 4.35)
&rst
ixpk= 4, nxpk= 0, iat=1838,1852, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 153 ASN HB3 154 LEU HN 4.50 (#SUP 7.17)
&rst
ixpk= 7, nxpk= 0, iat=2323,2332, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 63 ILE QG2 83 ILE HG13 4.85 (#SUP 2.00)
&rst
ixpk= 2, nxpk= 0, iat= -1,1240, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 949, 950, 951,
&end
#
# 63 ILE QG2 65 SER HB2 4.94 (#SUP 2.85)
&rst
ixpk= 2, nxpk= 0, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 949, 950, 951,
&end
#
# 20 SER HB2 25 LEU QD1 4.94 (#SUP 2.71)
&rst
ixpk= 2, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 356, 357, 358,
&end
#
# 20 SER HB3 25 LEU QD1 5.08 (#SUP 4.02)
&rst
ixpk= 4, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 356, 357, 358,
&end
#
# 90 GLY HA3 165 ASN HB2 4.71 (#SUP 4.81)
&rst
ixpk= 4, nxpk= 0, iat=1361,2525, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 89 PRO HB2 165 ASN HB2 4.66 (#SUP 5.84)
&rst
ixpk= 5, nxpk= 0, iat=1351,2525, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 164 PRO HA 165 ASN HB3 4.73 (#SUP 5.19)
&rst
ixpk= 5, nxpk= 0, iat=2517,2526, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 90 GLY HA3 165 ASN HB3 4.41 (#SUP 4.93)
&rst
ixpk= 4, nxpk= 0, iat=1361,2526, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 20 SER HB2 68 VAL QG2 4.55 (#SUP 5.52)
&rst
ixpk= 5, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1028,1029,1030,
&end
#
# 20 SER HB3 25 LEU HB3 4.51 (#SUP 2.54)
&rst
ixpk= 2, nxpk= 0, iat= 286, 352, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 20 SER HB3 25 LEU QD2 5.03 (#SUP 3.32)
&rst
ixpk= 3, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 360, 361, 362,
&end
#
# 13 ALA HN 63 ILE QD1 4.91 (#SUP 9.66)
&rst
ixpk= 9, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 956, 957, 958,
&end
#
# 63 ILE HB 63 ILE QD1 3.95 (#SUP 6.45)
&rst
ixpk= 6, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 956, 957, 958,
&end
#
# 63 ILE QD1 87 LEU HN 5.06 (#SUP 4.05)
&rst
ixpk= 4, nxpk= 0, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 956, 957, 958,
&end
#
# 101 THR HA 102 ALA HN 3.51 (#SUP 6.15)
&rst
ixpk= 6, nxpk= 0, iat=1525,1537, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 72 THR QG2 142 SER HB2 4.77 (#SUP 3.37)
&rst
ixpk= 3, nxpk= 0, iat= -1,2158, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1072,1073,1074,
&end
#
# 105 ASN QB 106 ASN HA 4.42 (#SUP 5.63)
&rst
ixpk= 5, nxpk= 0, iat= -1,1591, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1579,1580,
&end
#
# 99 VAL QG2 101 THR HA 4.91 (#SUP 2.92)
&rst
ixpk= 2, nxpk= 0, iat= -1,1525, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1502,1503,1504,
&end
#
# 105 ASN QB 106 ASN HN 4.33 (#SUP 5.54)
&rst
ixpk= 5, nxpk= 0, iat= -1,1589, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1579,1580,
&end
#
# 47 ILE HB 47 ILE QD1 3.88 (#SUP 5.38)
&rst
ixpk= 5, nxpk= 0, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 695, 696, 697,
&end
#
# 117 SER HB2 118 ALA QB 4.73 (#SUP 4.72)
&rst
ixpk= 4, nxpk= 0, iat=1765, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1776,1777,1778,
&end
#
# 117 SER HB3 121 LEU QD1 4.76 (#SUP 2.21)
&rst
ixpk= 2, nxpk= 0, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1824,1825,1826,
&end
#
# 11 PHE HB3 60 PHE HA 4.38 (#SUP 3.25)
&rst
ixpk= 3, nxpk= 0, iat= 139, 894, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 117 SER HB2 121 LEU QD1 4.98 (#SUP 2.73)
&rst
ixpk= 2, nxpk= 0, iat=1765, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1824,1825,1826,
&end
#
# 114 LYS HA 117 SER HB2 3.12 (#SUP 1.83)
&rst
ixpk= 1, nxpk= 0, iat=1711,1765, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 117 SER HN 117 SER HB3 3.17 (#SUP 4.90)
&rst
ixpk= 4, nxpk= 0, iat=1761,1766, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 117 SER HB3 118 ALA QB 4.49 (#SUP 4.72)
&rst
ixpk= 4, nxpk= 0, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1776,1777,1778,
&end
#
# 113 SER HB2 114 LYS HB2 4.50 (#SUP 4.05)
&rst
ixpk= 4, nxpk= 0, iat=1702,1713, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 LEU QD2 53 SER HB2 5.04 (#SUP 6.83)
&rst
ixpk= 6, nxpk= 0, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 753, 754, 755,
&end
#
# 38 ASN HN 38 ASN QB 3.63 (#SUP 7.61)
&rst
ixpk= 7, nxpk= 0, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 554, 555,
&end
#
# 38 ASN QB 40 GLY HN 4.40 (#SUP 7.46)
&rst
ixpk= 7, nxpk= 0, iat= -1, 579, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 554, 555,
&end
#
# 103 VAL HA 103 VAL QG2 3.21 (#SUP 5.69)
&rst
ixpk= 5, nxpk= 0, iat=1549, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1557,1558,1559,
&end
#
# 112 ALA QB 113 SER HB2 4.80 (#SUP 5.65)
&rst
ixpk= 5, nxpk= 0, iat= -1,1702, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1692,1693,1694,
&end
#
# 113 SER HB3 114 LYS HN 3.79 (#SUP 5.55)
&rst
ixpk= 5, nxpk= 0, iat=1703,1709, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 112 ALA QB 113 SER HB3 4.86 (#SUP 4.29)
&rst
ixpk= 4, nxpk= 0, iat= -1,1703, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1692,1693,1694,
&end
#
# 68 VAL HA 69 PRO HG3 4.69 (#SUP 6.89)
&rst
ixpk= 6, nxpk= 0, iat=1020,1039, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 24 ALA QB 68 VAL HA 5.00 (#SUP 3.00)
&rst
ixpk= 3, nxpk= 0, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 341, 342, 343,
&end
#
# 11 PHE HB2 12 VAL HN 4.58 (#SUP 6.71)
&rst
ixpk= 6, nxpk= 0, iat= 138, 154, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 4 PHE HB2 32 LEU QQD 4.82 (#SUP 2.25)
&rst
ixpk= 2, nxpk= 0, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 477, 478, 479, 473, 474, 475,
&end
#
# 4 PHE HB2 6 ILE HB 4.65 (#SUP 5.31)
&rst
ixpk= 5, nxpk= 0, iat= 47, 74, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 127 VAL HA 128 LYS HN 2.96 (#SUP 5.88)
&rst
ixpk= 5, nxpk= 0, iat=1904,1918, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 56 LYS HN 86 ILE HB 4.79 (#SUP 5.37)
&rst
ixpk= 5, nxpk= 0, iat= 833,1286, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 47 ILE QD1 75 HID HA 5.26 (#SUP 2.42)
&rst
ixpk= 2, nxpk= 0, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 695, 696, 697,
&end
#
# 14 VAL QG2 44 VAL HA 4.49 (#SUP 4.33)
&rst
ixpk= 4, nxpk= 0, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 190, 191, 192,
&end
#
# 117 SER HA 120 THR QG2 4.76 (#SUP 1.62)
&rst
ixpk= 1, nxpk= 0, iat=1763, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1807,1808,1809,
&end
#
# 117 SER HA 118 ALA QB 5.03 (#SUP 5.70)
&rst
ixpk= 5, nxpk= 0, iat=1763, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1776,1777,1778,
&end
#
# 72 THR QG2 139 GLU HG3 4.62 (#SUP 3.00)
&rst
ixpk= 3, nxpk= 0, iat= -1,2114, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=1072,1073,1074,
&end
#
# 63 ILE QD1 86 ILE HB 4.19 (#SUP 3.23)
&rst
ixpk= 3, nxpk= 0, iat= -1,1286, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 956, 957, 958,
&end
#
# 44 VAL HA 44 VAL QG2 3.37 (#SUP 4.69)
&rst
ixpk= 4, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 647, 648, 649,
&end
#
# 142 SER HA 145 GLU HB2 4.12 (#SUP 4.84)
&rst
ixpk= 4, nxpk= 0, iat=2156,2209, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 142 SER HA 143 VAL QG1 5.07 (#SUP 5.53)
&rst
ixpk= 5, nxpk= 0, iat=2156, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=2171,2172,2173,
&end
#
# 117 SER HA 117 SER HB3 2.99 (#SUP 4.84)
&rst
ixpk= 4, nxpk= 0, iat=1763,1766, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 109 VAL HA 110 LYS HN 3.50 (#SUP 7.15)
&rst
ixpk= 7, nxpk= 0, iat=1638,1652, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 109 VAL HA 110 LYS HB2 5.21 (#SUP 5.11)
&rst
ixpk= 5, nxpk= 0, iat=1638,1656, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 79 ILE HA 79 ILE HG13 3.86 (#SUP 7.60)
&rst
ixpk= 7, nxpk= 0, iat=1168,1177, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 58 SER HB2 89 PRO HG3 4.19 (#SUP 1.39)
&rst
ixpk= 1, nxpk= 0, iat= 874,1349, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 80 LEU HA 83 ILE HB 3.88 (#SUP 5.88)
&rst
ixpk= 5, nxpk= 0, iat=1187,1233, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 98 PRO HA 135 LEU QD2 4.41 (#SUP 1.50)
&rst
ixpk= 1, nxpk= 0, iat=1488, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=2057,2058,2059,
&end
#
# 142 SER HA 145 GLU HN 4.02 (#SUP 7.05)
&rst
ixpk= 7, nxpk= 0, iat=2156,2205, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 142 SER HA 145 GLU HB3 4.60 (#SUP 3.98)
&rst
ixpk= 3, nxpk= 0, iat=2156,2210, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 108 LYS HN 109 VAL HA 5.20 (#SUP 6.01)
&rst
ixpk= 6, nxpk= 0, iat=1614,1638, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 58 SER HB2 88 ARG HA 4.59 (#SUP 2.91)
&rst
ixpk= 2, nxpk= 0, iat= 874,1322, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 138 GLU HN 138 GLU HG2 4.27 (#SUP 6.22)
&rst
ixpk= 6, nxpk= 0, iat=2091,2098, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 6 ILE HA 10 GLN HE22 4.93 (#SUP 2.96)
&rst
ixpk= 2, nxpk= 0, iat= 72, 130, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 78 GLU HN 78 GLU HG2 4.31 (#SUP 7.90)
&rst
ixpk= 7, nxpk= 0, iat=1151,1158, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 129 GLU HG2 131 GLN HN 4.71 (#SUP 6.28)
&rst
ixpk= 6, nxpk= 0, iat=1947,1974, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 54 ALA HN 82 GLU QG 4.93 (#SUP 1.50)
&rst
ixpk= 1, nxpk= 0, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2=1221,1222,
&end
#
# 129 GLU HN 129 GLU HG3 4.55 (#SUP 7.35)
&rst
ixpk= 7, nxpk= 0, iat=1940,1948, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 129 GLU HG3 157 VAL QG1 4.20 (#SUP 5.39)
&rst
ixpk= 5, nxpk= 0, iat=1948, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=2396,2397,2398,
&end
#
# 83 ILE QD1 86 ILE HG13 4.86 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1242,1243,1244,
&end
#
# 63 ILE QD1 86 ILE QD1 2.96 (#SUP 5.45)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 956, 957, 958,
igr2=1295,1296,1297,
&end
#
# 41 ARG HG2 42 VAL HA 4.45 (#SUP 6.37)
&rst
ixpk= 6, nxpk= 0, iat= 593, 612, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 14 VAL HA 64 LEU HB3 4.46 (#SUP 7.29)
&rst
ixpk= 7, nxpk= 0, iat= 182, 967, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 78 GLU HN 78 GLU HG3 4.42 (#SUP 6.37)
&rst
ixpk= 6, nxpk= 0, iat=1151,1159, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 77 ALA QB 78 GLU HG3 5.50 (#SUP 3.63)
&rst
ixpk= 3, nxpk= 0, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1145,1146,1147,
&end
#
# 129 GLU HG2 157 VAL QG1 4.32 (#SUP 5.11)
&rst
ixpk= 5, nxpk= 0, iat=1947, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=2396,2397,2398,
&end
#
# 126 GLU QG 162 LYS QD 4.66 (#SUP 2.25)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1894,1895,
igr2=2473,2474,
&end
#
# 15 VAL HA 45 GLU HG3 4.85 (#SUP 4.78)
&rst
ixpk= 4, nxpk= 0, iat= 198, 661, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 42 VAL HA 42 VAL QG2 3.29 (#SUP 7.29)
&rst
ixpk= 7, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 620, 621, 622,
&end
#
# 13 ALA HA 14 VAL HA 4.44 (#SUP 6.62)
&rst
ixpk= 6, nxpk= 0, iat= 172, 182, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 82 GLU QG 86 ILE QG2 5.00 (#SUP 2.79)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1221,1222,
igr2=1288,1289,1290,
&end
#
# 15 VAL HA 45 GLU HB2 4.78 (#SUP 4.78)
&rst
ixpk= 4, nxpk= 0, iat= 198, 657, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 138 GLU HA 138 GLU HG2 3.62 (#SUP 4.67)
&rst
ixpk= 4, nxpk= 0, iat=2093,2098, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 53 SER HA 54 ALA QB 4.94 (#SUP 5.72)
&rst
ixpk= 5, nxpk= 0, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 810, 811, 812,
&end
#
# 39 GLU QG 40 GLY HN 4.35 (#SUP 6.34)
&rst
ixpk= 6, nxpk= 0, iat= -1, 579, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 571, 572,
&end
#
# 100 GLU HG2 101 THR HN 4.68 (#SUP 6.21)
&rst
ixpk= 6, nxpk= 0, iat=1515,1523, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 93 LEU HN 162 LYS HB2 5.50 (#SUP 4.14)
&rst
ixpk= 4, nxpk= 0, iat=1383,2467, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 GLU HB3 157 VAL HA 3.97 (#SUP 4.70)
&rst
ixpk= 4, nxpk= 0, iat=2020,2392, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 63 ILE HA 63 ILE QG2 3.36 (#SUP 7.51)
&rst
ixpk= 7, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 949, 950, 951,
&end
#
# 63 ILE HA 63 ILE HG12 3.34 (#SUP 7.21)
&rst
ixpk= 7, nxpk= 0, iat= 945, 953, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 133 GLU HN 133 GLU HG2 4.04 (#SUP 7.81)
&rst
ixpk= 7, nxpk= 0, iat=2015,2022, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 133 GLU HG2 155 LEU QD2 5.13 (#SUP 4.20)
&rst
ixpk= 4, nxpk= 0, iat=2022, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=2364,2365,2366,
&end
#
# 100 GLU HG3 109 VAL QG2 5.28 (#SUP 5.25)
&rst
ixpk= 5, nxpk= 0, iat=1516, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=1646,1647,1648,
&end
#
# 63 ILE HN 63 ILE HA 2.94 (#SUP 8.81)
&rst
ixpk= 8, nxpk= 0, iat= 943, 945, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 63 ILE HA 63 ILE QD1 3.28 (#SUP 7.98)
&rst
ixpk= 7, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 956, 957, 958,
&end
#
# 136 THR HA 137 PRO HG2 4.64 (#SUP 6.78)
&rst
ixpk= 6, nxpk= 0, iat=2065,2081, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 81 ALA QB 122 SER HA 4.59 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat= -1,1836, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1208,1209,1210,
&end
#
# 50 LEU QD2 53 SER HA 4.99 (#SUP 3.86)
&rst
ixpk= 3, nxpk= 0, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 753, 754, 755,
&end
#
# 22 VAL QG1 23 GLU QG 4.03 (#SUP 5.69)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 312, 313, 314,
igr2= 329, 330,
&end
#
# 133 GLU HG2 134 PRO QD 3.51 (#SUP 7.36)
&rst
ixpk= 7, nxpk= 0, iat=2022, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=2031,2032,
&end
#
# 100 GLU HG2 102 ALA QB 5.17 (#SUP 2.29)
&rst
ixpk= 2, nxpk= 0, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1541,1542,1543,
&end
#
# 100 GLU HG2 109 VAL QG2 5.16 (#SUP 3.47)
&rst
ixpk= 3, nxpk= 0, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=1646,1647,1648,
&end
#
# 122 SER HA 124 LEU HN 4.78 (#SUP 5.46)
&rst
ixpk= 5, nxpk= 0, iat=1836,1852, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 78 GLU HA 81 ALA QB 3.52 (#SUP 1.40)
&rst
ixpk= 1, nxpk= 0, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1208,1209,1210,
&end
#
# 7 SER HN 10 GLN HG3 4.69 (#SUP 4.71)
&rst
ixpk= 4, nxpk= 0, iat= 89, 125, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 79 ILE HB 80 LEU HN 3.57 (#SUP 8.96)
&rst
ixpk= 8, nxpk= 0, iat=1170,1185, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 8 ALA HN 10 GLN HG2 4.86 (#SUP 2.34)
&rst
ixpk= 2, nxpk= 0, iat= 100, 124, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 128 LYS HB3 160 THR QG2 5.15 (#SUP 2.95)
&rst
ixpk= 2, nxpk= 0, iat=1923, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2=2448,2449,2450,
&end
#
# 10 GLN HG3 11 PHE HN 4.47 (#SUP 9.43)
&rst
ixpk= 9, nxpk= 0, iat= 125, 134, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 10 GLN HA 10 GLN HG3 4.03 (#SUP 7.82)
&rst
ixpk= 7, nxpk= 0, iat= 119, 125, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 10 GLN HG3 61 ASP HB2 4.67 (#SUP 5.24)
&rst
ixpk= 5, nxpk= 0, iat= 125, 916, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 75 HID HB3 79 ILE HB 4.27 (#SUP 6.60)
&rst
ixpk= 6, nxpk= 0, iat=1118,1170, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 10 GLN HG2 11 PHE HN 5.00 (#SUP 9.09)
&rst
ixpk= 9, nxpk= 0, iat= 124, 134, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 9 GLY HN 10 GLN HG2 4.41 (#SUP 7.74)
&rst
ixpk= 7, nxpk= 0, iat= 110, 124, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 10 GLN HA 10 GLN HG2 3.82 (#SUP 8.04)
&rst
ixpk= 8, nxpk= 0, iat= 119, 124, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 12 VAL HB 13 ALA HN 4.31 (#SUP 5.70)
&rst
ixpk= 5, nxpk= 0, iat= 158, 170, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 128 LYS HB2 128 LYS HE2 4.96 (#SUP 5.53)
&rst
ixpk= 5, nxpk= 0, iat=1922,1931, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 110 LYS HN 110 LYS QD 4.60 (#SUP 6.98)
&rst
ixpk= 6, nxpk= 0, iat=1652, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1662,1663,
&end
#
# 110 LYS HN 110 LYS QG 5.07 (#SUP 7.23)
&rst
ixpk= 7, nxpk= 0, iat=1652, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1659,1660,
&end
#
# 11 PHE HN 12 VAL HN 4.96 (#SUP 6.79)
&rst
ixpk= 6, nxpk= 0, iat= 134, 154, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 11 PHE HN 62 ILE HN 5.15 (#SUP 3.53)
&rst
ixpk= 3, nxpk= 0, iat= 134, 924, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 11 PHE HN 11 PHE HB2 4.00 (#SUP 7.68)
&rst
ixpk= 7, nxpk= 0, iat= 134, 138, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 11 PHE HN 61 ASP HB3 4.57 (#SUP 6.95)
&rst
ixpk= 6, nxpk= 0, iat= 134, 917, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 10 GLN HB3 11 PHE HN 4.04 (#SUP 7.65)
&rst
ixpk= 7, nxpk= 0, iat= 122, 134, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 16 TRP HE1 45 GLU HN 4.66 (#SUP 9.68)
&rst
ixpk= 9, nxpk= 0, iat= 222, 653, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 16 TRP HE1 46 ASN HN 4.43 (#SUP 5.26)
&rst
ixpk= 5, nxpk= 0, iat= 222, 668, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 15 VAL HA 16 TRP HE1 5.50 (#SUP 6.94)
&rst
ixpk= 6, nxpk= 0, iat= 198, 222, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 TRP HE1 45 GLU HA 4.43 (#SUP 4.34)
&rst
ixpk= 4, nxpk= 0, iat= 222, 655, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 16 TRP HE1 44 VAL HA 5.04 (#SUP 4.26)
&rst
ixpk= 4, nxpk= 0, iat= 222, 639, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 16 TRP HE1 46 ASN HA 4.83 (#SUP 8.63)
&rst
ixpk= 8, nxpk= 0, iat= 222, 670, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 16 TRP HE1 44 VAL QQG 3.41 (#SUP 6.56)
&rst
ixpk= 6, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 643, 644, 645, 647, 648, 649,
&end
#
# 16 TRP HE1 25 LEU QD1 4.73 (#SUP 7.63)
&rst
ixpk= 7, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 356, 357, 358,
&end
#
# 16 TRP HN 16 TRP HE1 4.88 (#SUP 6.71)
&rst
ixpk= 6, nxpk= 0, iat= 212, 222, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 136 THR HN 140 VAL HN 4.86 (#SUP 8.48)
&rst
ixpk= 8, nxpk= 0, iat=2063,2121, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 136 THR HN 137 PRO QD 5.24 (#SUP 7.88)
&rst
ixpk= 7, nxpk= 0, iat=2063, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=2078,2079,
&end
#
# 135 LEU HA 136 THR HN 3.22 (#SUP 7.53)
&rst
ixpk= 7, nxpk= 0, iat=2046,2063, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 136 THR HN 139 GLU HG2 5.23 (#SUP 7.44)
&rst
ixpk= 7, nxpk= 0, iat=2063,2113, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 136 THR HN 139 GLU HG3 5.21 (#SUP 6.29)
&rst
ixpk= 6, nxpk= 0, iat=2063,2114, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 135 LEU HB2 136 THR HN 4.45 (#SUP 7.98)
&rst
ixpk= 7, nxpk= 0, iat=2048,2063, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 136 THR HN 139 GLU HB3 4.26 (#SUP 8.72)
&rst
ixpk= 8, nxpk= 0, iat=2063,2111, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 135 LEU QD1 136 THR HN 4.73 (#SUP 8.75)
&rst
ixpk= 8, nxpk= 0, iat= -1,2063, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=2053,2054,2055,
&end
#
# 135 LEU QD2 136 THR HN 4.86 (#SUP 7.22)
&rst
ixpk= 7, nxpk= 0, iat= -1,2063, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=2057,2058,2059,
&end
#
# 159 ILE HN 159 ILE HG12 5.32 (#SUP 8.15)
&rst
ixpk= 8, nxpk= 0, iat=2423,2433, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 158 GLN HN 159 ILE HN 4.44 (#SUP 8.03)
&rst
ixpk= 8, nxpk= 0, iat=2406,2423, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 159 ILE HN 160 THR HN 4.69 (#SUP 6.05)
&rst
ixpk= 6, nxpk= 0, iat=2423,2442, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 96 LYS HA 159 ILE HN 4.11 (#SUP 7.57)
&rst
ixpk= 7, nxpk= 0, iat=1443,2423, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 158 GLN HB2 159 ILE HN 4.49 (#SUP 7.96)
&rst
ixpk= 7, nxpk= 0, iat=2410,2423, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 159 ILE HN 159 ILE HB 3.89 (#SUP 8.90)
&rst
ixpk= 8, nxpk= 0, iat=2423,2427, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 130 LEU QD2 159 ILE HN 5.50 (#SUP 7.36)
&rst
ixpk= 7, nxpk= 0, iat= -1,2423, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1968,1969,1970,
&end
#
# 159 ILE HN 159 ILE QD1 3.90 (#SUP 9.15)
&rst
ixpk= 9, nxpk= 0, iat=2423, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=2436,2437,2438,
&end
#
# 119 LEU QD2 159 ILE HN 5.45 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat= -1,2423, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=1795,1796,1797,
&end
#
# 125 VAL HN 126 GLU HN 4.80 (#SUP 7.94)
&rst
ixpk= 7, nxpk= 0, iat=1871,1887, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 125 VAL HN 127 VAL HN 5.38 (#SUP 6.06)
&rst
ixpk= 6, nxpk= 0, iat=1871,1902, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 124 LEU HA 125 VAL HN 3.23 (#SUP 8.11)
&rst
ixpk= 8, nxpk= 0, iat=1854,1871, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 125 VAL HN 125 VAL HB 4.19 (#SUP 8.12)
&rst
ixpk= 8, nxpk= 0, iat=1871,1875, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 125 VAL HN 164 PRO QG 5.13 (#SUP 6.96)
&rst
ixpk= 6, nxpk= 0, iat=1871, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=2511,2512,
&end
#
# 125 VAL HN 162 LYS HB3 4.64 (#SUP 7.12)
&rst
ixpk= 7, nxpk= 0, iat=1871,2468, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 124 LEU HB3 125 VAL HN 3.89 (#SUP 7.73)
&rst
ixpk= 7, nxpk= 0, iat=1857,1871, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 124 LEU HB2 125 VAL HN 3.88 (#SUP 8.88)
&rst
ixpk= 8, nxpk= 0, iat=1856,1871, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 125 VAL HN 125 VAL QG1 3.89 (#SUP 8.99)
&rst
ixpk= 8, nxpk= 0, iat=1871, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1877,1878,1879,
&end
#
# 125 VAL HN 127 VAL QG2 4.53 (#SUP 5.42)
&rst
ixpk= 5, nxpk= 0, iat=1871, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1912,1913,1914,
&end
#
# 124 LEU HG 125 VAL HN 4.30 (#SUP 7.41)
&rst
ixpk= 7, nxpk= 0, iat=1859,1871, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 124 LEU QQD 125 VAL HN 4.02 (#SUP 7.73)
&rst
ixpk= 7, nxpk= 0, iat= -1,1871, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1865,1866,1867,1861,1862,1863,
&end
#
# 11 PHE HN 61 ASP HN 4.48 (#SUP 9.42)
&rst
ixpk= 9, nxpk= 0, iat= 134, 912, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 125 VAL HN 161 GLY HA3 5.04 (#SUP 5.29)
&rst
ixpk= 5, nxpk= 0, iat=1871,2459, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 11 PHE HB2 61 ASP HN 3.92 (#SUP 6.35)
&rst
ixpk= 6, nxpk= 0, iat= 138, 912, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 61 ASP HN 61 ASP HB2 4.02 (#SUP 7.84)
&rst
ixpk= 7, nxpk= 0, iat= 912, 916, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 61 ASP HN 61 ASP HB3 4.06 (#SUP 6.45)
&rst
ixpk= 6, nxpk= 0, iat= 912, 917, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 60 PHE HB3 61 ASP HN 4.89 (#SUP 7.31)
&rst
ixpk= 7, nxpk= 0, iat= 897, 912, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 112 ALA HN 115 LEU HN 5.50 (#SUP 5.42)
&rst
ixpk= 5, nxpk= 0, iat=1688,1731, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 111 THR HN 112 ALA HN 5.45 (#SUP 4.36)
&rst
ixpk= 4, nxpk= 0, iat=1674,1688, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 99 VAL HB 112 ALA HN 4.19 (#SUP 6.00)
&rst
ixpk= 6, nxpk= 0, iat=1496,1688, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 9 GLY HN 40 GLY HN 5.28 (#SUP 7.94)
&rst
ixpk= 7, nxpk= 0, iat= 110, 579, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 134 PRO HA 156 PHE HN 4.40 (#SUP 9.39)
&rst
ixpk= 9, nxpk= 0, iat=2040,2370, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 9 GLY HN 10 GLN HG3 5.50 (#SUP 5.91)
&rst
ixpk= 5, nxpk= 0, iat= 110, 125, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 LEU QD2 156 PHE HN 3.89 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= -1,2370, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=2057,2058,2059,
&end
#
# 11 PHE HA 12 VAL HN 3.14 (#SUP 7.10)
&rst
ixpk= 7, nxpk= 0, iat= 136, 154, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 156 PHE HN 156 PHE HB2 3.71 (#SUP 8.43)
&rst
ixpk= 8, nxpk= 0, iat=2370,2374, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 156 PHE HN 156 PHE HB3 3.92 (#SUP 9.53)
&rst
ixpk= 9, nxpk= 0, iat=2370,2375, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 155 LEU HG 156 PHE HN 5.42 (#SUP 8.24)
&rst
ixpk= 8, nxpk= 0, iat=2358,2370, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 42 VAL HN 43 SER HN 4.81 (#SUP 6.45)
&rst
ixpk= 6, nxpk= 0, iat= 610, 626, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 74 LEU HA 75 HID HN 3.29 (#SUP 8.86)
&rst
ixpk= 8, nxpk= 0, iat=1096,1113, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 75 HID HN 75 HID HB2 3.86 (#SUP 8.52)
&rst
ixpk= 8, nxpk= 0, iat=1113,1117, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 75 HID HN 75 HID HB3 4.10 (#SUP 6.98)
&rst
ixpk= 6, nxpk= 0, iat=1113,1118, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 74 LEU HB2 75 HID HN 4.49 (#SUP 9.54)
&rst
ixpk= 9, nxpk= 0, iat=1098,1113, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 75 HID HN 95 LEU QD2 5.50 (#SUP 3.75)
&rst
ixpk= 3, nxpk= 0, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1435,1436,1437,
&end
#
# 43 SER HN 44 VAL HN 4.53 (#SUP 5.77)
&rst
ixpk= 5, nxpk= 0, iat= 626, 637, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 42 VAL HA 43 SER HN 3.01 (#SUP 6.94)
&rst
ixpk= 6, nxpk= 0, iat= 612, 626, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 42 VAL QQG 43 SER HN 3.63 (#SUP 7.55)
&rst
ixpk= 7, nxpk= 0, iat= -1, 626, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 616, 617, 618, 620, 621, 622,
&end
#
# 130 LEU HN 159 ILE HA 3.64 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat=1955,2425, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 130 LEU HN 131 GLN HA 5.03 (#SUP 8.60)
&rst
ixpk= 8, nxpk= 0, iat=1955,1976, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 73 THR HN 156 PHE HZ 5.50 (#SUP 3.87)
&rst
ixpk= 3, nxpk= 0, iat=1080,2382, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 VAL HN 135 LEU QD2 5.35 (#SUP 1.63)
&rst
ixpk= 1, nxpk= 0, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2=2057,2058,2059,
&end
#
# 99 VAL HN 157 VAL HN 4.54 (#SUP 5.74)
&rst
ixpk= 5, nxpk= 0, iat=1492,2390, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 99 VAL HN 156 PHE HA 3.72 (#SUP 5.25)
&rst
ixpk= 5, nxpk= 0, iat=1492,2372, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 99 VAL HN 99 VAL QQG 3.51 (#SUP 6.27)
&rst
ixpk= 6, nxpk= 0, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1498,1499,1500,1502,1503,1504,
&end
#
# 23 GLU HN 26 LYS HN 5.27 (#SUP 6.16)
&rst
ixpk= 6, nxpk= 0, iat= 322, 366, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 23 GLU HN 25 LEU HN 4.68 (#SUP 6.76)
&rst
ixpk= 6, nxpk= 0, iat= 322, 347, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 21 PRO HA 23 GLU HN 4.22 (#SUP 8.24)
&rst
ixpk= 8, nxpk= 0, iat= 302, 322, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 23 GLU HN 23 GLU QB 2.99 (#SUP 8.45)
&rst
ixpk= 8, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 326, 327,
&end
#
# 21 PRO HB3 23 GLU HN 4.48 (#SUP 6.13)
&rst
ixpk= 6, nxpk= 0, iat= 300, 322, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 23 GLU HN 26 LYS QB 5.32 (#SUP 4.76)
&rst
ixpk= 4, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 370, 371,
&end
#
# 23 GLU HN 24 ALA QB 4.69 (#SUP 5.45)
&rst
ixpk= 5, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 341, 342, 343,
&end
#
# 22 VAL QG2 23 GLU HN 3.97 (#SUP 7.93)
&rst
ixpk= 7, nxpk= 0, iat= -1, 322, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 316, 317, 318,
&end
#
# 22 VAL QG1 23 GLU HN 3.84 (#SUP 8.52)
&rst
ixpk= 8, nxpk= 0, iat= -1, 322, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 312, 313, 314,
&end
#
# 15 VAL HA 45 GLU HN 4.11 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= 198, 653, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 44 VAL HA 45 GLU HN 3.08 (#SUP 7.92)
&rst
ixpk= 7, nxpk= 0, iat= 639, 653, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 44 VAL HB 45 GLU HN 4.32 (#SUP 7.59)
&rst
ixpk= 7, nxpk= 0, iat= 641, 653, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 45 GLU HN 45 GLU HG2 4.54 (#SUP 8.46)
&rst
ixpk= 8, nxpk= 0, iat= 653, 660, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 45 GLU HN 45 GLU HG3 4.11 (#SUP 7.06)
&rst
ixpk= 7, nxpk= 0, iat= 653, 661, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 14 VAL HB 45 GLU HN 4.32 (#SUP 7.13)
&rst
ixpk= 7, nxpk= 0, iat= 184, 653, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 45 GLU HN 45 GLU HB3 3.98 (#SUP 7.61)
&rst
ixpk= 7, nxpk= 0, iat= 653, 658, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 44 VAL QQG 45 GLU HN 3.65 (#SUP 7.91)
&rst
ixpk= 7, nxpk= 0, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 643, 644, 645, 647, 648, 649,
&end
#
# 63 ILE HN 94 PHE HN 4.12 (#SUP 6.54)
&rst
ixpk= 6, nxpk= 0, iat= 943,1402, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 93 LEU HA 94 PHE HN 3.24 (#SUP 8.31)
&rst
ixpk= 8, nxpk= 0, iat=1385,1402, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 94 PHE HN 94 PHE HB3 4.16 (#SUP 8.24)
&rst
ixpk= 8, nxpk= 0, iat=1402,1407, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 64 LEU QD1 94 PHE HN 4.45 (#SUP 7.87)
&rst
ixpk= 7, nxpk= 0, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 971, 972, 973,
&end
#
# 64 LEU HN 65 SER HN 4.54 (#SUP 9.58)
&rst
ixpk= 9, nxpk= 0, iat= 962, 981, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 65 SER HN 95 LEU HA 3.72 (#SUP 7.66)
&rst
ixpk= 7, nxpk= 0, iat= 981,1424, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 64 LEU HA 65 SER HN 3.08 (#SUP 7.77)
&rst
ixpk= 7, nxpk= 0, iat= 964, 981, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 65 SER HN 65 SER HB3 4.18 (#SUP 5.94)
&rst
ixpk= 5, nxpk= 0, iat= 981, 986, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 64 LEU HB3 65 SER HN 4.13 (#SUP 6.95)
&rst
ixpk= 6, nxpk= 0, iat= 967, 981, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 64 LEU QD1 65 SER HN 4.48 (#SUP 8.34)
&rst
ixpk= 8, nxpk= 0, iat= -1, 981, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 971, 972, 973,
&end
#
# 65 SER HN 95 LEU QD2 5.45 (#SUP 8.07)
&rst
ixpk= 8, nxpk= 0, iat= 981, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2=1435,1436,1437,
&end
#
# 65 SER HN 65 SER HB2 3.89 (#SUP 5.65)
&rst
ixpk= 5, nxpk= 0, iat= 981, 985, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 64 LEU HB2 65 SER HN 4.96 (#SUP 7.65)
&rst
ixpk= 7, nxpk= 0, iat= 966, 981, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 78 GLU HN 79 ILE HN 3.79 (#SUP 9.31)
&rst
ixpk= 9, nxpk= 0, iat=1151,1166, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 89 PRO HA 91 GLY HN 4.08 (#SUP 2.88)
&rst
ixpk= 2, nxpk= 0, iat=1354,1365, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 78 GLU HN 78 GLU HB2 3.57 (#SUP 6.41)
&rst
ixpk= 6, nxpk= 0, iat=1151,1155, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 87 LEU QQD 91 GLY HN 4.09 (#SUP 6.15)
&rst
ixpk= 6, nxpk= 0, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1314,1315,1316,1310,1311,1312,
&end
#
# 125 VAL HN 162 LYS HN 3.76 (#SUP 9.72)
&rst
ixpk= 9, nxpk= 0, iat=1871,2463, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 92 CYS HA 162 LYS HN 4.83 (#SUP 5.29)
&rst
ixpk= 5, nxpk= 0, iat=1374,2463, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 127 VAL HA 162 LYS HN 3.80 (#SUP 4.78)
&rst
ixpk= 4, nxpk= 0, iat=1904,2463, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 161 GLY HA3 162 LYS HN 3.30 (#SUP 5.74)
&rst
ixpk= 5, nxpk= 0, iat=2459,2463, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 78 GLU HN 78 GLU HB3 3.60 (#SUP 6.42)
&rst
ixpk= 6, nxpk= 0, iat=1151,1156, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 162 LYS HN 162 LYS HB2 3.44 (#SUP 6.65)
&rst
ixpk= 6, nxpk= 0, iat=2463,2467, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 77 ALA HN 77 ALA QB 3.17 (#SUP 5.40)
&rst
ixpk= 5, nxpk= 0, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1145,1146,1147,
&end
#
# 162 LYS HN 162 LYS HB3 3.55 (#SUP 7.29)
&rst
ixpk= 7, nxpk= 0, iat=2463,2468, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 127 VAL QG2 162 LYS HN 4.17 (#SUP 4.57)
&rst
ixpk= 4, nxpk= 0, iat= -1,2463, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1912,1913,1914,
&end
#
# 124 LEU HG 162 LYS HN 4.36 (#SUP 7.96)
&rst
ixpk= 7, nxpk= 0, iat=1859,2463, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 124 LEU QQD 162 LYS HN 4.74 (#SUP 8.09)
&rst
ixpk= 8, nxpk= 0, iat= -1,2463, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=1865,1866,1867,1861,1862,1863,
&end
#
# 76 SER HA 77 ALA HN 3.52 (#SUP 4.51)
&rst
ixpk= 4, nxpk= 0, iat=1132,1141, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 33 GLN HN 34 ALA HA 5.43 (#SUP 6.34)
&rst
ixpk= 6, nxpk= 0, iat= 483, 502, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 32 LEU HB3 33 GLN HN 3.83 (#SUP 7.63)
&rst
ixpk= 7, nxpk= 0, iat= 469, 483, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 127 VAL QG1 162 LYS HN 5.36 (#SUP 4.57)
&rst
ixpk= 4, nxpk= 0, iat= -1,2463, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=1908,1909,1910,
&end
#
# 32 LEU HN 33 GLN HN 3.49 (#SUP 9.51)
&rst
ixpk= 9, nxpk= 0, iat= 464, 483, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 33 GLN HN 35 LEU HN 4.18 (#SUP 6.13)
&rst
ixpk= 6, nxpk= 0, iat= 483, 510, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 29 VAL HA 33 GLN HN 4.29 (#SUP 8.09)
&rst
ixpk= 8, nxpk= 0, iat= 416, 483, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 33 GLN HN 33 GLN HB3 3.50 (#SUP 7.73)
&rst
ixpk= 7, nxpk= 0, iat= 483, 488, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 33 GLN HN 42 VAL QQG 3.81 (#SUP 7.42)
&rst
ixpk= 7, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 616, 617, 618, 620, 621, 622,
&end
#
# 146 HID HN 147 LEU HN 3.58 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat=2220,2237, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 143 VAL HA 146 HID HN 4.67 (#SUP 6.91)
&rst
ixpk= 6, nxpk= 0, iat=2167,2220, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 146 HID HN 146 HID HB3 3.72 (#SUP 9.01)
&rst
ixpk= 9, nxpk= 0, iat=2220,2225, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 146 HID HN 147 LEU HG 5.23 (#SUP 6.75)
&rst
ixpk= 6, nxpk= 0, iat=2220,2244, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 145 GLU HB3 146 HID HN 3.79 (#SUP 8.09)
&rst
ixpk= 8, nxpk= 0, iat=2210,2220, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 94 PHE QD 95 LEU HN 4.32 (#SUP 7.33)
&rst
ixpk= 7, nxpk= 0, iat= -1,1422, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1410,1418,
&end
#
# 94 PHE HB2 95 LEU HN 4.26 (#SUP 7.37)
&rst
ixpk= 7, nxpk= 0, iat=1406,1422, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 143 VAL QG2 146 HID HN 4.74 (#SUP 5.13)
&rst
ixpk= 5, nxpk= 0, iat= -1,2220, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=2175,2176,2177,
&end
#
# 95 LEU HN 95 LEU QD1 4.88 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat=1422, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1431,1432,1433,
&end
#
# 64 LEU QD1 95 LEU HN 5.50 (#SUP 3.11)
&rst
ixpk= 3, nxpk= 0, iat= -1,1422, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 971, 972, 973,
&end
#
# 95 LEU HN 159 ILE HN 3.90 (#SUP 6.14)
&rst
ixpk= 6, nxpk= 0, iat=1422,2423, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 95 LEU HN 160 THR HA 4.05 (#SUP 5.26)
&rst
ixpk= 5, nxpk= 0, iat=1422,2444, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 94 PHE HA 95 LEU HN 3.07 (#SUP 7.68)
&rst
ixpk= 7, nxpk= 0, iat=1404,1422, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 94 PHE HB3 95 LEU HN 4.62 (#SUP 8.66)
&rst
ixpk= 8, nxpk= 0, iat=1407,1422, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 95 LEU HN 95 LEU QD2 5.00 (#SUP 9.30)
&rst
ixpk= 9, nxpk= 0, iat=1422, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1435,1436,1437,
&end
#
# 39 GLU HN 40 GLY HA3 4.88 (#SUP 5.45)
&rst
ixpk= 5, nxpk= 0, iat= 564, 582, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 9 GLY HA2 39 GLU HN 5.32 (#SUP 4.50)
&rst
ixpk= 4, nxpk= 0, iat= 112, 564, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 38 ASN QB 39 GLU HN 3.89 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 554, 555,
&end
#
# 39 GLU HN 39 GLU HB3 3.76 (#SUP 6.93)
&rst
ixpk= 6, nxpk= 0, iat= 564, 569, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 53 SER HN 55 HID HN 5.50 (#SUP 4.49)
&rst
ixpk= 4, nxpk= 0, iat= 795, 816, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 ALA HA 55 HID HN 3.50 (#SUP 5.58)
&rst
ixpk= 5, nxpk= 0, iat= 808, 816, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 HID HN 55 HID HB2 3.86 (#SUP 6.30)
&rst
ixpk= 6, nxpk= 0, iat= 816, 820, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 54 ALA QB 55 HID HN 4.16 (#SUP 7.34)
&rst
ixpk= 7, nxpk= 0, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 810, 811, 812,
&end
#
# 43 SER HA 44 VAL HN 2.78 (#SUP 5.50)
&rst
ixpk= 5, nxpk= 0, iat= 628, 637, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end
#
# 87 LEU HA 88 ARG HN 3.22 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat=1303,1320, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 43 SER HB2 44 VAL HN 3.96 (#SUP 5.59)
&rst
ixpk= 5, nxpk= 0, iat= 630, 637, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 55 HID HN 55 HID HB3 3.88 (#SUP 6.75)
&rst
ixpk= 6, nxpk= 0, iat= 816, 821, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 44 VAL HN 44 VAL HB 3.12 (#SUP 7.07)
&rst
ixpk= 7, nxpk= 0, iat= 637, 641, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 88 ARG HN 88 ARG HB2 3.99 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat=1320,1324, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 87 LEU HB3 88 ARG HN 4.53 (#SUP 9.49)
&rst
ixpk= 9, nxpk= 0, iat=1306,1320, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 44 VAL HN 44 VAL QQG 3.29 (#SUP 7.40)
&rst
ixpk= 7, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 643, 644, 645, 647, 648, 649,
&end
#
# 87 LEU QQD 88 ARG HN 3.73 (#SUP 8.89)
&rst
ixpk= 8, nxpk= 0, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1314,1315,1316,1310,1311,1312,
&end
#
# 88 ARG HN 91 GLY HN 5.48 (#SUP 4.43)
&rst
ixpk= 4, nxpk= 0, iat=1320,1365, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 60 PHE HB3 88 ARG HN 5.46 (#SUP 8.35)
&rst
ixpk= 8, nxpk= 0, iat= 897,1320, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 87 LEU HB2 88 ARG HN 4.51 (#SUP 9.40)
&rst
ixpk= 9, nxpk= 0, iat=1305,1320, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 99 VAL HN 155 LEU HN 3.85 (#SUP 5.72)
&rst
ixpk= 5, nxpk= 0, iat=1492,2351, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 153 ASN HN 153 ASN HD22 5.28 (#SUP 7.76)
&rst
ixpk= 7, nxpk= 0, iat=2318,2328, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 154 LEU HA 155 LEU HN 3.04 (#SUP 7.49)
&rst
ixpk= 7, nxpk= 0, iat=2334,2351, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 153 ASN HN 153 ASN HB2 3.89 (#SUP 6.99)
&rst
ixpk= 6, nxpk= 0, iat=2318,2322, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 154 LEU HB3 155 LEU HN 4.09 (#SUP 7.21)
&rst
ixpk= 7, nxpk= 0, iat=2337,2351, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 155 LEU HN 156 PHE HN 4.21 (#SUP 7.29)
&rst
ixpk= 7, nxpk= 0, iat=2351,2370, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 129 GLU HN 130 LEU HN 4.79 (#SUP 9.59)
&rst
ixpk= 9, nxpk= 0, iat=1940,1955, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 132 ARG HN 133 GLU HN 5.00 (#SUP 9.09)
&rst
ixpk= 9, nxpk= 0, iat=1991,2015, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 133 GLU HN 158 GLN HN 5.36 (#SUP 2.87)
&rst
ixpk= 2, nxpk= 0, iat=2015,2406, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 132 ARG HA 133 GLU HN 3.01 (#SUP 9.64)
&rst
ixpk= 9, nxpk= 0, iat=1993,2015, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 128 LYS HA 129 GLU HN 2.69 (#SUP 9.69)
&rst
ixpk= 9, nxpk= 0, iat=1920,1940, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, &end
#
# 151 SER HB3 153 ASN HN 4.26 (#SUP 8.48)
&rst
ixpk= 8, nxpk= 0, iat=2300,2318, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 133 GLU HN 133 GLU HB2 3.84 (#SUP 8.50)
&rst
ixpk= 8, nxpk= 0, iat=2015,2019, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 129 GLU HN 129 GLU HB3 3.01 (#SUP 7.58)
&rst
ixpk= 7, nxpk= 0, iat=1940,1945, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 121 LEU HN 121 LEU HB2 3.03 (#SUP 9.31)
&rst
ixpk= 9, nxpk= 0, iat=1815,1819, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 120 THR QG2 121 LEU HN 3.72 (#SUP 7.00)
&rst
ixpk= 7, nxpk= 0, iat= -1,1815, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1807,1808,1809,
&end
#
# 128 LYS HG3 129 GLU HN 4.50 (#SUP 8.00)
&rst
ixpk= 8, nxpk= 0, iat=1926,1940, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 135 LEU QD2 155 LEU HN 4.38 (#SUP 9.01)
&rst
ixpk= 9, nxpk= 0, iat= -1,2351, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=2057,2058,2059,
&end
#
# 152 ASP HN 152 ASP HB3 3.57 (#SUP 5.25)
&rst
ixpk= 5, nxpk= 0, iat=2306,2311, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 138 GLU HN 138 GLU HG3 3.65 (#SUP 6.66)
&rst
ixpk= 6, nxpk= 0, iat=2091,2099, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 121 LEU HN 121 LEU QQD 3.65 (#SUP 8.45)
&rst
ixpk= 8, nxpk= 0, iat=1815, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1828,1829,1830,1824,1825,1826,
&end
#
# 45 GLU HN 46 ASN HN 4.38 (#SUP 6.09)
&rst
ixpk= 6, nxpk= 0, iat= 653, 668, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 16 TRP HD1 46 ASN HN 5.15 (#SUP 3.53)
&rst
ixpk= 3, nxpk= 0, iat= 220, 668, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 45 GLU HA 46 ASN HN 2.96 (#SUP 6.25)
&rst
ixpk= 6, nxpk= 0, iat= 655, 668, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 125 VAL HA 126 GLU HN 2.97 (#SUP 8.29)
&rst
ixpk= 8, nxpk= 0, iat=1873,1887, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 46 ASN HN 46 ASN HB2 3.09 (#SUP 4.89)
&rst
ixpk= 4, nxpk= 0, iat= 668, 672, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 125 VAL QG1 126 GLU HN 3.65 (#SUP 7.29)
&rst
ixpk= 7, nxpk= 0, iat= -1,1887, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1877,1878,1879,
&end
#
# 125 VAL QG2 126 GLU HN 3.29 (#SUP 7.76)
&rst
ixpk= 7, nxpk= 0, iat= -1,1887, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1=1881,1882,1883,
&end
#
# 128 LYS HN 128 LYS HG2 4.32 (#SUP 7.69)
&rst
ixpk= 7, nxpk= 0, iat=1918,1925, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 63 ILE HN 64 LEU HN 4.64 (#SUP 7.65)
&rst
ixpk= 7, nxpk= 0, iat= 943, 962, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 15 VAL HN 65 SER HA 3.87 (#SUP 5.62)
&rst
ixpk= 5, nxpk= 0, iat= 196, 983, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 128 LYS HN 161 GLY HA2 4.56 (#SUP 8.28)
&rst
ixpk= 8, nxpk= 0, iat=1918,2458, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 128 LYS HN 161 GLY HA2 4.73 (#SUP 7.34)
&rst
ixpk= 7, nxpk= 0, iat=1918,2458, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 128 LYS HN 128 LYS HB2 4.08 (#SUP 6.84)
&rst
ixpk= 6, nxpk= 0, iat=1918,1922, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 128 LYS HN 128 LYS QD 3.80 (#SUP 7.58)
&rst
ixpk= 7, nxpk= 0, iat=1918, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1928,1929,
&end
#
# 64 LEU HN 64 LEU HB3 3.82 (#SUP 8.23)
&rst
ixpk= 8, nxpk= 0, iat= 962, 967, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 128 LYS HN 160 THR QG2 4.01 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat=1918, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=2448,2449,2450,
&end
#
# 63 ILE HA 64 LEU HN 3.22 (#SUP 8.55)
&rst
ixpk= 8, nxpk= 0, iat= 945, 962, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 63 ILE QG2 64 LEU HN 3.62 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= -1, 962, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 949, 950, 951,
&end
#
# 64 LEU HN 64 LEU QD1 4.62 (#SUP 9.43)
&rst
ixpk= 9, nxpk= 0, iat= 962, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 971, 972, 973,
&end
#
# 15 VAL HA 47 ILE HN 4.86 (#SUP 3.31)
&rst
ixpk= 3, nxpk= 0, iat= 198, 682, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 17 ASP HB3 47 ILE HN 4.92 (#SUP 4.56)
&rst
ixpk= 4, nxpk= 0, iat= 241, 682, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 17 ASP HB2 47 ILE HN 4.80 (#SUP 5.54)
&rst
ixpk= 5, nxpk= 0, iat= 240, 682, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 46 ASN HB2 47 ILE HN 5.24 (#SUP 8.12)
&rst
ixpk= 8, nxpk= 0, iat= 672, 682, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 47 ILE HN 47 ILE HB 3.41 (#SUP 7.54)
&rst
ixpk= 7, nxpk= 0, iat= 682, 686, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 15 VAL QG1 47 ILE HN 3.51 (#SUP 8.00)
&rst
ixpk= 8, nxpk= 0, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 202, 203, 204,
&end
#
# 37 GLY HN 38 ASN HN 4.91 (#SUP 4.23)
&rst
ixpk= 4, nxpk= 0, iat= 543, 550, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 58 SER HN 86 ILE HB 4.98 (#SUP 4.50)
&rst
ixpk= 4, nxpk= 0, iat= 870,1286, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 140 VAL HN 142 SER HN 5.29 (#SUP 5.17)
&rst
ixpk= 5, nxpk= 0, iat=2121,2154, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 137 PRO HA 140 VAL HN 3.92 (#SUP 4.61)
&rst
ixpk= 4, nxpk= 0, iat=2087,2121, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 135 LEU QD1 140 VAL HN 4.44 (#SUP 8.61)
&rst
ixpk= 8, nxpk= 0, iat= -1,2121, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=2053,2054,2055,
&end
#
# 108 LYS HN 108 LYS QG 4.16 (#SUP 9.89)
&rst
ixpk= 9, nxpk= 0, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1621,1622,
&end
#
# 62 ILE HA 63 ILE HN 3.04 (#SUP 7.95)
&rst
ixpk= 7, nxpk= 0, iat= 926, 943, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 56 LYS HN 56 LYS QD 3.45 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= 833, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 843, 844,
&end
#
# 63 ILE HN 63 ILE HB 3.95 (#SUP 6.53)
&rst
ixpk= 6, nxpk= 0, iat= 943, 947, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 63 ILE HN 87 LEU QQD 3.98 (#SUP 1.66)
&rst
ixpk= 1, nxpk= 0, iat= 943, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1314,1315,1316,1310,1311,1312,
&end
#
# 21 PRO HA 22 VAL HN 2.72 (#SUP 7.04)
&rst
ixpk= 7, nxpk= 0, iat= 302, 306, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, &end
#
# 56 LYS HA 57 GLU HN 2.77 (#SUP 8.54)
&rst
ixpk= 8, nxpk= 0, iat= 835, 855, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end
#
# 16 TRP HB2 17 ASP HN 3.56 (#SUP 6.39)
&rst
ixpk= 6, nxpk= 0, iat= 216, 236, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 55 HID HB2 56 LYS HN 4.00 (#SUP 7.27)
&rst
ixpk= 7, nxpk= 0, iat= 820, 833, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 16 TRP HN 16 TRP HB3 3.77 (#SUP 6.97)
&rst
ixpk= 6, nxpk= 0, iat= 212, 217, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 21 PRO HB2 22 VAL HN 3.85 (#SUP 8.80)
&rst
ixpk= 8, nxpk= 0, iat= 299, 306, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 56 LYS QB 57 GLU HN 3.23 (#SUP 6.78)
&rst
ixpk= 6, nxpk= 0, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr1= 837, 838,
&end
#
# 22 VAL HN 22 VAL QG2 3.12 (#SUP 6.94)
&rst
ixpk= 6, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 316, 317, 318,
&end
#
# 16 TRP HN 25 LEU QD2 5.21 (#SUP 7.85)
&rst
ixpk= 7, nxpk= 0, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2= 360, 361, 362,
&end
#
# 22 VAL HN 23 GLU HN 3.70 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= 306, 322, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 56 LYS HN 86 ILE QG2 3.53 (#SUP 7.65)
&rst
ixpk= 7, nxpk= 0, iat= 833, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1288,1289,1290,
&end
#
# 15 VAL HA 16 TRP HN 3.14 (#SUP 8.41)
&rst
ixpk= 8, nxpk= 0, iat= 198, 212, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 32 LEU HN 34 ALA HN 4.81 (#SUP 7.37)
&rst
ixpk= 7, nxpk= 0, iat= 464, 500, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 134 PRO HA 135 LEU HN 3.01 (#SUP 6.26)
&rst
ixpk= 6, nxpk= 0, iat=2040,2044, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 31 LYS HB3 32 LEU HN 4.14 (#SUP 7.85)
&rst
ixpk= 7, nxpk= 0, iat= 447, 464, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 31 LYS QG 32 LEU HN 4.56 (#SUP 8.31)
&rst
ixpk= 8, nxpk= 0, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 449, 450,
&end
#
# 135 LEU HN 135 LEU HB3 3.31 (#SUP 7.40)
&rst
ixpk= 7, nxpk= 0, iat=2044,2049, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 135 LEU HN 135 LEU QD1 4.35 (#SUP 7.78)
&rst
ixpk= 7, nxpk= 0, iat=2044, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=2053,2054,2055,
&end
#
# 140 VAL HA 143 VAL HN 3.98 (#SUP 5.79)
&rst
ixpk= 5, nxpk= 0, iat=2123,2165, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 143 VAL HN 143 VAL HB 3.30 (#SUP 6.54)
&rst
ixpk= 6, nxpk= 0, iat=2165,2169, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 72 THR QG2 143 VAL HN 4.27 (#SUP 6.47)
&rst
ixpk= 6, nxpk= 0, iat= -1,2165, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1072,1073,1074,
&end
#
# 143 VAL HN 143 VAL QG2 4.17 (#SUP 6.63)
&rst
ixpk= 6, nxpk= 0, iat=2165, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=2175,2176,2177,
&end
#
# 143 VAL HN 143 VAL QG1 3.49 (#SUP 7.98)
&rst
ixpk= 7, nxpk= 0, iat=2165, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=2171,2172,2173,
&end
#
# 112 ALA HN 113 SER HN 4.11 (#SUP 7.91)
&rst
ixpk= 7, nxpk= 0, iat=1688,1698, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 111 THR HA 113 SER HN 4.84 (#SUP 4.90)
&rst
ixpk= 4, nxpk= 0, iat=1676,1698, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 112 ALA QB 113 SER HN 3.91 (#SUP 7.23)
&rst
ixpk= 7, nxpk= 0, iat= -1,1698, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1692,1693,1694,
&end
#
# 145 GLU HN 146 HID HB2 5.50 (#SUP 6.53)
&rst
ixpk= 6, nxpk= 0, iat=2205,2224, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 145 GLU HN 145 GLU HB3 3.55 (#SUP 8.39)
&rst
ixpk= 8, nxpk= 0, iat=2205,2210, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 131 GLN HN 132 ARG HN 4.45 (#SUP 7.72)
&rst
ixpk= 7, nxpk= 0, iat=1974,1991, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 27 GLY QA 29 VAL HN 5.21 (#SUP 8.10)
&rst
ixpk= 8, nxpk= 0, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 390, 391,
&end
#
# 29 VAL HN 29 VAL HB 3.64 (#SUP 6.91)
&rst
ixpk= 6, nxpk= 0, iat= 414, 418, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 131 GLN HB3 132 ARG HN 3.85 (#SUP 7.37)
&rst
ixpk= 7, nxpk= 0, iat=1979,1991, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 132 ARG HN 132 ARG HB3 3.85 (#SUP 9.90)
&rst
ixpk= 9, nxpk= 0, iat=1991,1996, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 29 VAL HN 32 LEU QQD 4.44 (#SUP 3.77)
&rst
ixpk= 3, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 477, 478, 479, 473, 474, 475,
&end
#
# 25 LEU QD1 29 VAL HN 5.50 (#SUP 6.00)
&rst
ixpk= 6, nxpk= 0, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 356, 357, 358,
&end
#
# 132 ARG HN 133 GLU HA 5.50 (#SUP 7.47)
&rst
ixpk= 7, nxpk= 0, iat=1991,2017, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 ASN HN 105 ASN QB 4.08 (#SUP 4.43)
&rst
ixpk= 4, nxpk= 0, iat=1575, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1579,1580,
&end
#
# 90 GLY HN 165 ASN HA 4.17 (#SUP 6.45)
&rst
ixpk= 6, nxpk= 0, iat=1358,2523, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 90 GLY HN 91 GLY HN 3.54 (#SUP 4.69)
&rst
ixpk= 4, nxpk= 0, iat=1358,1365, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 125 VAL HN 163 LYS HN 5.47 (#SUP 7.09)
&rst
ixpk= 7, nxpk= 0, iat=1871,2485, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 92 CYS HN 93 LEU HN 4.66 (#SUP 4.76)
&rst
ixpk= 4, nxpk= 0, iat=1372,1383, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 162 LYS HA 163 LYS HN 2.95 (#SUP 7.48)
&rst
ixpk= 7, nxpk= 0, iat=2465,2485, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 91 GLY HA2 163 LYS HN 4.60 (#SUP 6.03)
&rst
ixpk= 6, nxpk= 0, iat=1367,2485, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 162 LYS QE 163 LYS HN 5.03 (#SUP 7.87)
&rst
ixpk= 7, nxpk= 0, iat= -1,2485, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1=2476,2477,
&end
#
# 92 CYS HB2 93 LEU HN 4.03 (#SUP 5.86)
&rst
ixpk= 5, nxpk= 0, iat=1376,1383, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 92 CYS HB3 93 LEU HN 3.58 (#SUP 6.24)
&rst
ixpk= 6, nxpk= 0, iat=1377,1383, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 163 LYS HN 163 LYS HB2 3.58 (#SUP 5.06)
&rst
ixpk= 5, nxpk= 0, iat=2485,2489, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 93 LEU HN 93 LEU HB2 3.36 (#SUP 7.20)
&rst
ixpk= 7, nxpk= 0, iat=1383,1387, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 87 LEU QQD 163 LYS HN 3.65 (#SUP 2.83)
&rst
ixpk= 2, nxpk= 0, iat= -1,2485, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1314,1315,1316,1310,1311,1312,
&end
#
# 124 LEU HG 163 LYS HN 4.49 (#SUP 5.37)
&rst
ixpk= 5, nxpk= 0, iat=1859,2485, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 124 LEU QQD 163 LYS HN 4.31 (#SUP 7.63)
&rst
ixpk= 7, nxpk= 0, iat= -1,2485, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1865,1866,1867,1861,1862,1863,
&end
#
# 157 VAL HA 158 GLN HN 2.95 (#SUP 6.25)
&rst
ixpk= 6, nxpk= 0, iat=2392,2406, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 130 LEU HN 158 GLN HN 5.25 (#SUP 3.11)
&rst
ixpk= 3, nxpk= 0, iat=1955,2406, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 132 ARG HA 158 GLN HN 3.37 (#SUP 7.25)
&rst
ixpk= 7, nxpk= 0, iat=1993,2406, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 158 GLN HN 158 GLN HB2 3.86 (#SUP 6.88)
&rst
ixpk= 6, nxpk= 0, iat=2406,2410, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 97 GLU HN 156 PHE QD 4.44 (#SUP 7.59)
&rst
ixpk= 7, nxpk= 0, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=2378,2386,
&end
#
# 96 LYS HA 97 GLU HN 3.11 (#SUP 6.55)
&rst
ixpk= 6, nxpk= 0, iat=1443,1463, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 95 LEU QD1 97 GLU HN 4.49 (#SUP 5.53)
&rst
ixpk= 5, nxpk= 0, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1431,1432,1433,
&end
#
# 166 PHE HB2 167 GLU HN 4.40 (#SUP 6.94)
&rst
ixpk= 6, nxpk= 0, iat=2539,2555, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 114 LYS QB 115 LEU HN 3.13 (#SUP 6.05)
&rst
ixpk= 6, nxpk= 0, iat= -1,1731, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr1=1713,1714,
&end
#
# 166 PHE HN 167 GLU HN 4.28 (#SUP 5.91)
&rst
ixpk= 5, nxpk= 0, iat=2535,2555, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 167 GLU HN 167 GLU HB2 3.65 (#SUP 5.25)
&rst
ixpk= 5, nxpk= 0, iat=2555,2559, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 113 SER HA 115 LEU HN 4.83 (#SUP 5.82)
&rst
ixpk= 5, nxpk= 0, iat=1700,1731, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 115 LEU HN 116 CYS HB2 5.33 (#SUP 8.47)
&rst
ixpk= 8, nxpk= 0, iat=1731,1754, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 69 PRO HA 70 GLY HN 3.07 (#SUP 5.49)
&rst
ixpk= 5, nxpk= 0, iat=1044,1048, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 69 PRO HB3 70 GLY HN 4.19 (#SUP 4.99)
&rst
ixpk= 4, nxpk= 0, iat=1042,1048, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 130 LEU HN 160 THR HN 4.54 (#SUP 6.98)
&rst
ixpk= 6, nxpk= 0, iat=1955,2442, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 128 LYS HN 160 THR HN 3.65 (#SUP 6.63)
&rst
ixpk= 6, nxpk= 0, iat=1918,2442, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 160 THR HN 160 THR QG2 3.50 (#SUP 6.23)
&rst
ixpk= 6, nxpk= 0, iat=2442, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2448,2449,2450,
&end
#
# 130 LEU QD2 160 THR HN 5.50 (#SUP 6.25)
&rst
ixpk= 6, nxpk= 0, iat= -1,2442, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1968,1969,1970,
&end
#
# 133 GLU HN 157 VAL HN 4.68 (#SUP 3.49)
&rst
ixpk= 3, nxpk= 0, iat=2015,2390, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 159 ILE HA 160 THR HN 2.84 (#SUP 7.34)
&rst
ixpk= 7, nxpk= 0, iat=2425,2442, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, &end
#
# 80 LEU HA 83 ILE HN 4.21 (#SUP 4.12)
&rst
ixpk= 4, nxpk= 0, iat=1187,1229, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 96 LYS QD 157 VAL HN 4.51 (#SUP 4.42)
&rst
ixpk= 4, nxpk= 0, iat= -1,2390, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1451,1452,
&end
#
# 13 ALA HN 63 ILE QG2 4.45 (#SUP 8.00)
&rst
ixpk= 8, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 949, 950, 951,
&end
#
# 30 ASP HN 33 GLN HN 5.18 (#SUP 3.10)
&rst
ixpk= 3, nxpk= 0, iat= 430, 483, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 13 ALA HN 62 ILE HN 4.13 (#SUP 6.23)
&rst
ixpk= 6, nxpk= 0, iat= 170, 924, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 82 GLU HN 83 ILE HN 3.27 (#SUP 7.52)
&rst
ixpk= 7, nxpk= 0, iat=1214,1229, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 96 LYS HA 157 VAL HN 4.84 (#SUP 2.97)
&rst
ixpk= 2, nxpk= 0, iat=1443,2390, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 12 VAL HA 13 ALA HN 3.06 (#SUP 5.89)
&rst
ixpk= 5, nxpk= 0, iat= 156, 170, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 13 ALA HN 63 ILE HA 3.75 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= 170, 945, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 156 PHE HB3 157 VAL HN 4.45 (#SUP 7.75)
&rst
ixpk= 7, nxpk= 0, iat=2375,2390, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 157 VAL HN 157 VAL QQG 3.40 (#SUP 7.81)
&rst
ixpk= 7, nxpk= 0, iat=2390, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=2396,2397,2398,2400,2401,2402,
&end
#
# 103 VAL QG1 104 ASP HN 3.68 (#SUP 4.56)
&rst
ixpk= 4, nxpk= 0, iat= -1,1563, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=1553,1554,1555,
&end
#
# 29 VAL HN 30 ASP HN 3.71 (#SUP 8.43)
&rst
ixpk= 8, nxpk= 0, iat= 414, 430, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 30 ASP HN 30 ASP HB2 3.21 (#SUP 5.91)
&rst
ixpk= 5, nxpk= 0, iat= 430, 434, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 6 ILE QG2 7 SER HN 3.10 (#SUP 5.83)
&rst
ixpk= 5, nxpk= 0, iat= -1, 89, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 76, 77, 78,
&end
#
# 99 VAL HB 100 GLU HN 3.29 (#SUP 6.25)
&rst
ixpk= 6, nxpk= 0, iat=1496,1508, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 12 VAL HN 41 ARG HN 4.11 (#SUP 6.45)
&rst
ixpk= 6, nxpk= 0, iat= 154, 586, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 99 VAL HA 100 GLU HN 3.15 (#SUP 6.17)
&rst
ixpk= 6, nxpk= 0, iat=1494,1508, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 60 PHE HN 87 LEU HA 3.61 (#SUP 8.12)
&rst
ixpk= 8, nxpk= 0, iat= 892,1303, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 164 PRO HA 165 ASN HN 2.83 (#SUP 6.00)
&rst
ixpk= 6, nxpk= 0, iat=2517,2521, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 60 PHE HN 60 PHE HB3 3.68 (#SUP 5.91)
&rst
ixpk= 5, nxpk= 0, iat= 892, 897, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 40 GLY HN 41 ARG HN 4.72 (#SUP 3.49)
&rst
ixpk= 3, nxpk= 0, iat= 579, 586, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 11 PHE HA 41 ARG HN 3.49 (#SUP 9.78)
&rst
ixpk= 9, nxpk= 0, iat= 136, 586, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 100 GLU HA 101 THR HN 2.98 (#SUP 7.08)
&rst
ixpk= 7, nxpk= 0, iat=1510,1523, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 75 HID HA 76 SER HN 2.99 (#SUP 6.44)
&rst
ixpk= 6, nxpk= 0, iat=1115,1130, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 76 SER HN 79 ILE HB 3.90 (#SUP 7.92)
&rst
ixpk= 7, nxpk= 0, iat=1130,1170, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 41 ARG HN 41 ARG QB 3.63 (#SUP 6.24)
&rst
ixpk= 6, nxpk= 0, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 590, 591,
&end
#
# 101 THR HN 101 THR QG2 3.69 (#SUP 4.82)
&rst
ixpk= 4, nxpk= 0, iat=1523, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1529,1530,1531,
&end
#
# 40 GLY HA2 41 ARG HN 3.49 (#SUP 3.56)
&rst
ixpk= 3, nxpk= 0, iat= 581, 586, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 17 ASP HN 20 SER HN 4.13 (#SUP 1.82)
&rst
ixpk= 1, nxpk= 0, iat= 236, 281, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 101 THR HN 153 ASN HB2 3.76 (#SUP 5.75)
&rst
ixpk= 5, nxpk= 0, iat=1523,2322, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 167 GLU HA 168 VAL HN 2.92 (#SUP 3.27)
&rst
ixpk= 3, nxpk= 0, iat=2557,2570, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 168 VAL HN 168 VAL HB 3.98 (#SUP 4.82)
&rst
ixpk= 4, nxpk= 0, iat=2570,2574, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 168 VAL HN 168 VAL QQG 3.74 (#SUP 4.88)
&rst
ixpk= 4, nxpk= 0, iat=2570, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=2576,2577,2578,2580,2581,2582,
&end
#
# 75 HID HB3 80 LEU HN 4.66 (#SUP 6.83)
&rst
ixpk= 6, nxpk= 0, iat=1118,1185, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 80 LEU HN 80 LEU QD1 3.72 (#SUP 8.07)
&rst
ixpk= 8, nxpk= 0, iat=1185, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1194,1195,1196,
&end
#
# 80 LEU HN 80 LEU QD2 3.94 (#SUP 8.03)
&rst
ixpk= 8, nxpk= 0, iat=1185, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1198,1199,1200,
&end
#
# 58 SER HN 59 SER HN 4.24 (#SUP 4.10)
&rst
ixpk= 4, nxpk= 0, iat= 870, 881, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 59 SER HN 86 ILE HG13 5.02 (#SUP 5.27)
&rst
ixpk= 5, nxpk= 0, iat= 881,1293, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 120 THR HN 121 LEU HN 3.48 (#SUP 8.59)
&rst
ixpk= 8, nxpk= 0, iat=1801,1815, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 52 GLN HN 53 SER HN 3.26 (#SUP 5.69)
&rst
ixpk= 5, nxpk= 0, iat= 778, 795, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 53 SER HN 54 ALA HN 3.73 (#SUP 7.66)
&rst
ixpk= 7, nxpk= 0, iat= 795, 806, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 120 THR HN 124 LEU HN 5.28 (#SUP 4.20)
&rst
ixpk= 4, nxpk= 0, iat=1801,1852, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 120 THR HN 127 VAL QG2 4.30 (#SUP 4.70)
&rst
ixpk= 4, nxpk= 0, iat=1801, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1912,1913,1914,
&end
#
# 119 LEU HN 120 THR HN 3.09 (#SUP 8.04)
&rst
ixpk= 8, nxpk= 0, iat=1782,1801, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 120 THR HN 120 THR QG2 3.77 (#SUP 6.53)
&rst
ixpk= 6, nxpk= 0, iat=1801, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1807,1808,1809,
&end
#
# 119 LEU HB2 120 THR HN 3.56 (#SUP 6.41)
&rst
ixpk= 6, nxpk= 0, iat=1786,1801, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 118 ALA HN 118 ALA QB 3.07 (#SUP 5.84)
&rst
ixpk= 5, nxpk= 0, iat=1772, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1776,1777,1778,
&end
#
# 33 GLN HA 36 THR HN 3.92 (#SUP 4.00)
&rst
ixpk= 4, nxpk= 0, iat= 485, 529, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 49 GLN HB2 51 LEU HN 5.06 (#SUP 2.84)
&rst
ixpk= 2, nxpk= 0, iat= 727, 759, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 114 LYS QD 118 ALA HN 4.05 (#SUP 1.79)
&rst
ixpk= 1, nxpk= 0, iat= -1,1772, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1=1719,1720,
&end
#
# 51 LEU HN 51 LEU QD2 3.84 (#SUP 6.16)
&rst
ixpk= 6, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 772, 773, 774,
&end
#
# 166 PHE HN 166 PHE HB2 3.72 (#SUP 7.20)
&rst
ixpk= 7, nxpk= 0, iat=2535,2539, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 166 PHE HN 166 PHE HB3 3.67 (#SUP 6.43)
&rst
ixpk= 6, nxpk= 0, iat=2535,2540, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 165 ASN HB2 166 PHE HN 3.98 (#SUP 6.55)
&rst
ixpk= 6, nxpk= 0, iat=2525,2535, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 89 PRO HB2 166 PHE HN 4.52 (#SUP 4.99)
&rst
ixpk= 4, nxpk= 0, iat=1351,2535, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 165 ASN HN 166 PHE HN 4.56 (#SUP 5.58)
&rst
ixpk= 5, nxpk= 0, iat=2521,2535, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 114 LYS HA 117 SER HN 3.72 (#SUP 5.33)
&rst
ixpk= 5, nxpk= 0, iat=1711,1761, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 116 CYS HB3 117 SER HN 3.70 (#SUP 6.59)
&rst
ixpk= 6, nxpk= 0, iat=1755,1761, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 7 SER HA 8 ALA HN 2.76 (#SUP 3.31)
&rst
ixpk= 3, nxpk= 0, iat= 91, 100, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, &end
#
# 142 SER HN 143 VAL HN 3.69 (#SUP 9.03)
&rst
ixpk= 9, nxpk= 0, iat=2154,2165, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 141 GLN HN 142 SER HN 3.25 (#SUP 9.75)
&rst
ixpk= 9, nxpk= 0, iat=2137,2154, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 142 SER HN 142 SER HB2 3.46 (#SUP 6.73)
&rst
ixpk= 6, nxpk= 0, iat=2154,2158, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 140 VAL HA 142 SER HN 4.55 (#SUP 8.54)
&rst
ixpk= 8, nxpk= 0, iat=2123,2154, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 95 LEU HN 96 LYS HN 4.85 (#SUP 7.18)
&rst
ixpk= 7, nxpk= 0, iat=1422,1441, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 115 LEU HN 116 CYS HN 3.61 (#SUP 7.94)
&rst
ixpk= 7, nxpk= 0, iat=1731,1750, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 65 SER HN 96 LYS HN 5.00 (#SUP 6.65)
&rst
ixpk= 6, nxpk= 0, iat= 981,1441, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 95 LEU HA 96 LYS HN 3.14 (#SUP 7.25)
&rst
ixpk= 7, nxpk= 0, iat=1424,1441, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 96 LYS HN 158 GLN HA 5.24 (#SUP 4.29)
&rst
ixpk= 4, nxpk= 0, iat=1441,2408, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 46 ASN HD21 48 LYS HN 5.41 (#SUP 6.67)
&rst
ixpk= 6, nxpk= 0, iat= 677, 701, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 47 ILE HB 48 LYS HN 4.49 (#SUP 8.52)
&rst
ixpk= 8, nxpk= 0, iat= 686, 701, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 95 LEU HB3 96 LYS HN 3.62 (#SUP 6.76)
&rst
ixpk= 6, nxpk= 0, iat=1427,1441, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 47 ILE QG2 48 LYS HN 3.47 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1= 688, 689, 690,
&end
#
# 68 VAL HN 68 VAL QG2 3.86 (#SUP 6.10)
&rst
ixpk= 6, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1028,1029,1030,
&end
#
# 95 LEU QD1 96 LYS HN 4.35 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= -1,1441, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1431,1432,1433,
&end
#
# 95 LEU QD2 96 LYS HN 4.62 (#SUP 8.55)
&rst
ixpk= 8, nxpk= 0, iat= -1,1441, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=1435,1436,1437,
&end
#
# 47 ILE HN 48 LYS HN 4.04 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= 682, 701, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 46 ASN HD22 48 LYS HN 5.50 (#SUP 8.15)
&rst
ixpk= 8, nxpk= 0, iat= 678, 701, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 LYS HN 48 LYS HB3 3.19 (#SUP 7.94)
&rst
ixpk= 7, nxpk= 0, iat= 701, 706, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 70 GLY HN 71 SER HN 3.65 (#SUP 5.28)
&rst
ixpk= 5, nxpk= 0, iat=1048,1055, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 69 PRO HA 71 SER HN 3.95 (#SUP 3.11)
&rst
ixpk= 3, nxpk= 0, iat=1044,1055, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 171 SER QB 172 ARG HN 4.01 (#SUP 3.91)
&rst
ixpk= 3, nxpk= 0, iat= -1,2615, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1=2608,2609,
&end
#
# 153 ASN HB2 154 LEU HN 4.76 (#SUP 7.96)
&rst
ixpk= 7, nxpk= 0, iat=2322,2332, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 154 LEU HN 154 LEU QQD 4.12 (#SUP 8.24)
&rst
ixpk= 8, nxpk= 0, iat=2332, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=2345,2346,2347,2341,2342,2343,
&end
#
# 135 LEU QD2 154 LEU HN 4.94 (#SUP 3.94)
&rst
ixpk= 3, nxpk= 0, iat= -1,2332, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=2057,2058,2059,
&end
#
# 154 LEU HN 154 LEU HG 3.46 (#SUP 7.28)
&rst
ixpk= 7, nxpk= 0, iat=2332,2339, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 74 LEU HN 75 HID HN 5.37 (#SUP 8.71)
&rst
ixpk= 8, nxpk= 0, iat=1094,1113, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 16 TRP HE3 20 SER HN 4.11 (#SUP 2.61)
&rst
ixpk= 2, nxpk= 0, iat= 231, 281, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 16 TRP HE3 20 SER HB2 3.56 (#SUP 4.35)
&rst
ixpk= 4, nxpk= 0, iat= 231, 285, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 73 THR HA 74 LEU HN 2.81 (#SUP 5.77)
&rst
ixpk= 5, nxpk= 0, iat=1082,1094, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end
#
# 52 GLN HN 52 GLN QB 3.02 (#SUP 4.35)
&rst
ixpk= 4, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2= 782, 783,
&end
#
# 74 LEU HN 74 LEU HB3 4.06 (#SUP 7.91)
&rst
ixpk= 7, nxpk= 0, iat=1094,1099, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 73 THR QG2 74 LEU HN 3.55 (#SUP 9.96)
&rst
ixpk= 9, nxpk= 0, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1=1086,1087,1088,
&end
#
# 16 TRP HE3 25 LEU QD1 4.49 (#SUP 6.96)
&rst
ixpk= 6, nxpk= 0, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 356, 357, 358,
&end
#
# 139 GLU HN 140 VAL HN 3.49 (#SUP 7.29)
&rst
ixpk= 7, nxpk= 0, iat=2106,2121, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 83 ILE HN 84 ALA HN 3.72 (#SUP 6.18)
&rst
ixpk= 6, nxpk= 0, iat=1229,1248, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 84 ALA HN 85 ARG HN 3.90 (#SUP 6.48)
&rst
ixpk= 6, nxpk= 0, iat=1248,1258, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 16 TRP HB2 16 TRP HE3 3.83 (#SUP 5.48)
&rst
ixpk= 5, nxpk= 0, iat= 216, 231, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 2 ALA HN 2 ALA QB 3.09 (#SUP 2.91)
&rst
ixpk= 2, nxpk= 0, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2= 25, 26, 27,
&end
#
# 146 HID HB3 147 LEU HN 4.24 (#SUP 8.79)
&rst
ixpk= 8, nxpk= 0, iat=2225,2237, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 92 CYS HN 92 CYS HB2 3.65 (#SUP 5.03)
&rst
ixpk= 5, nxpk= 0, iat=1372,1376, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 139 GLU HN 139 GLU HG2 3.80 (#SUP 7.21)
&rst
ixpk= 7, nxpk= 0, iat=2106,2113, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 62 ILE HA 92 CYS HN 3.56 (#SUP 9.06)
&rst
ixpk= 9, nxpk= 0, iat= 926,1372, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 91 GLY HA3 92 CYS HN 3.38 (#SUP 4.52)
&rst
ixpk= 4, nxpk= 0, iat=1368,1372, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 87 LEU QQD 92 CYS HN 3.78 (#SUP 6.89)
&rst
ixpk= 6, nxpk= 0, iat= -1,1372, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1314,1315,1316,1310,1311,1312,
&end
#
# 144 ARG HN 145 GLU HN 3.21 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat=2181,2205, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 144 ARG HN 144 ARG QD 4.40 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat=2181, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=2191,2192,
&end
#
# 143 VAL HB 144 ARG HN 4.00 (#SUP 8.27)
&rst
ixpk= 8, nxpk= 0, iat=2169,2181, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 149 HID HE1 154 LEU QQD 4.87 (#SUP 1.58)
&rst
ixpk= 1, nxpk= 0, iat=2273, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2=2345,2346,2347,2341,2342,2343,
&end
#
# 149 HID HB2 150 GLU HN 4.51 (#SUP 6.46)
&rst
ixpk= 6, nxpk= 0, iat=2267,2280, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 150 GLU HN 150 GLU HB3 3.60 (#SUP 7.22)
&rst
ixpk= 7, nxpk= 0, iat=2280,2285, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 109 VAL QG1 149 HID HE1 5.21 (#SUP 3.18)
&rst
ixpk= 3, nxpk= 0, iat= -1,2273, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1=1642,1643,1644,
&end
#
# 109 VAL QG2 149 HID HE1 4.12 (#SUP 5.04)
&rst
ixpk= 5, nxpk= 0, iat= -1,2273, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1646,1647,1648,
&end
#
# 149 HID HB3 150 GLU HN 4.22 (#SUP 6.61)
&rst
ixpk= 6, nxpk= 0, iat=2268,2280, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 26 LYS HN 26 LYS QB 3.28 (#SUP 6.98)
&rst
ixpk= 6, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 370, 371,
&end
#
# 25 LEU HG 26 LYS HN 4.40 (#SUP 8.07)
&rst
ixpk= 8, nxpk= 0, iat= 354, 366, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 25 LEU QD1 26 LYS HN 4.44 (#SUP 8.38)
&rst
ixpk= 8, nxpk= 0, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 356, 357, 358,
&end
#
# 140 VAL QG2 141 GLN HN 4.33 (#SUP 7.99)
&rst
ixpk= 7, nxpk= 0, iat= -1,2137, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=2131,2132,2133,
&end
#
# 140 VAL HN 141 GLN HN 3.50 (#SUP 7.20)
&rst
ixpk= 7, nxpk= 0, iat=2121,2137, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 141 GLN HN 141 GLN QB 3.00 (#SUP 7.74)
&rst
ixpk= 7, nxpk= 0, iat=2137, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2141,2142,
&end
#
# 85 ARG HB2 86 ILE HN 4.26 (#SUP 9.52)
&rst
ixpk= 9, nxpk= 0, iat=1262,1282, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 86 ILE HN 86 ILE QG2 3.81 (#SUP 6.83)
&rst
ixpk= 6, nxpk= 0, iat=1282, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1288,1289,1290,
&end
#
# 82 GLU HA 86 ILE HN 4.54 (#SUP 4.09)
&rst
ixpk= 4, nxpk= 0, iat=1216,1282, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 119 LEU HN 121 LEU HN 4.82 (#SUP 4.20)
&rst
ixpk= 4, nxpk= 0, iat=1782,1815, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 119 LEU HN 119 LEU HB3 3.67 (#SUP 6.88)
&rst
ixpk= 6, nxpk= 0, iat=1782,1787, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 119 LEU HN 119 LEU QD1 4.08 (#SUP 7.99)
&rst
ixpk= 7, nxpk= 0, iat=1782, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1791,1792,1793,
&end
#
# 119 LEU HN 119 LEU HB2 3.31 (#SUP 7.99)
&rst
ixpk= 7, nxpk= 0, iat=1782,1786, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 24 ALA QB 25 LEU HN 3.45 (#SUP 7.89)
&rst
ixpk= 7, nxpk= 0, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 341, 342, 343,
&end
#
# 25 LEU HN 25 LEU QD2 4.57 (#SUP 7.75)
&rst
ixpk= 7, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 360, 361, 362,
&end
#
# 25 LEU HN 25 LEU QD1 4.31 (#SUP 8.21)
&rst
ixpk= 8, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 356, 357, 358,
&end
#
# 4 PHE HN 6 ILE HN 4.81 (#SUP 5.16)
&rst
ixpk= 5, nxpk= 0, iat= 43, 70, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 6 ILE HN 7 SER HA 5.44 (#SUP 5.57)
&rst
ixpk= 5, nxpk= 0, iat= 70, 91, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 6 ILE HN 6 ILE HB 3.16 (#SUP 6.38)
&rst
ixpk= 6, nxpk= 0, iat= 70, 74, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 6 ILE HN 6 ILE HG12 3.65 (#SUP 6.51)
&rst
ixpk= 6, nxpk= 0, iat= 70, 80, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 6 ILE HN 62 ILE QG2 5.09 (#SUP 1.89)
&rst
ixpk= 1, nxpk= 0, iat= 70, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 930, 931, 932,
&end
#
# 6 ILE HN 7 SER HN 4.64 (#SUP 6.49)
&rst
ixpk= 6, nxpk= 0, iat= 70, 89, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 27 GLY HN 28 LEU HN 3.50 (#SUP 5.41)
&rst
ixpk= 5, nxpk= 0, iat= 388, 395, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 27 GLY HN 29 VAL HN 4.94 (#SUP 9.26)
&rst
ixpk= 9, nxpk= 0, iat= 388, 414, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 36 THR HN 37 GLY HN 3.43 (#SUP 5.32)
&rst
ixpk= 5, nxpk= 0, iat= 529, 543, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 153 ASN HA 153 ASN HD21 4.72 (#SUP 5.32)
&rst
ixpk= 5, nxpk= 0, iat=2320,2327, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 82 GLU HA 85 ARG HN 3.77 (#SUP 4.27)
&rst
ixpk= 4, nxpk= 0, iat=1216,1258, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 153 ASN HB2 153 ASN HD21 3.91 (#SUP 5.25)
&rst
ixpk= 5, nxpk= 0, iat=2322,2327, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 85 ARG HN 85 ARG HB3 3.59 (#SUP 7.20)
&rst
ixpk= 7, nxpk= 0, iat=1258,1263, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 84 ALA QB 85 ARG HN 3.45 (#SUP 6.51)
&rst
ixpk= 6, nxpk= 0, iat= -1,1258, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1=1252,1253,1254,
&end
#
# 85 ARG HN 124 LEU QQD 5.50 (#SUP 1.50)
&rst
ixpk= 1, nxpk= 0, iat=1258, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1865,1866,1867,1861,1862,1863,
&end
#
# 48 LYS QD 49 GLN HN 4.51 (#SUP 7.99)
&rst
ixpk= 7, nxpk= 0, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 711, 712,
&end
#
# 47 ILE HN 49 GLN HN 4.97 (#SUP 5.99)
&rst
ixpk= 5, nxpk= 0, iat= 682, 723, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 48 LYS HN 49 GLN HN 3.45 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= 701, 723, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 83 ILE HA 85 ARG HN 4.58 (#SUP 6.54)
&rst
ixpk= 6, nxpk= 0, iat=1231,1258, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 106 ASN HB3 106 ASN HD21 3.66 (#SUP 4.90)
&rst
ixpk= 4, nxpk= 0, iat=1594,1598, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 49 GLN HN 49 GLN HB3 3.70 (#SUP 6.99)
&rst
ixpk= 6, nxpk= 0, iat= 723, 728, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 126 GLU HN 127 VAL HN 3.29 (#SUP 9.09)
&rst
ixpk= 9, nxpk= 0, iat=1887,1902, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 126 GLU HA 127 VAL HN 3.09 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat=1889,1902, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 46 ASN HB3 49 GLN HN 4.49 (#SUP 5.84)
&rst
ixpk= 5, nxpk= 0, iat= 673, 723, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 127 VAL HN 127 VAL HB 2.82 (#SUP 5.37)
&rst
ixpk= 5, nxpk= 0, iat=1902,1906, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 127 VAL HN 127 VAL QG1 3.73 (#SUP 6.85)
&rst
ixpk= 6, nxpk= 0, iat=1902, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1908,1909,1910,
&end
#
# 127 VAL HN 127 VAL QG2 3.22 (#SUP 5.87)
&rst
ixpk= 5, nxpk= 0, iat=1902, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1912,1913,1914,
&end
#
# 38 ASN QB 38 ASN HD22 3.64 (#SUP 4.63)
&rst
ixpk= 4, nxpk= 0, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 554, 555,
&end
#
# 54 ALA HN 54 ALA QB 3.37 (#SUP 5.55)
&rst
ixpk= 5, nxpk= 0, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 810, 811, 812,
&end
#
# 121 LEU HN 123 GLY HN 4.75 (#SUP 6.03)
&rst
ixpk= 6, nxpk= 0, iat=1815,1845, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 122 SER HN 123 GLY HN 3.53 (#SUP 8.09)
&rst
ixpk= 8, nxpk= 0, iat=1834,1845, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 123 GLY HN 124 LEU HN 3.24 (#SUP 6.87)
&rst
ixpk= 6, nxpk= 0, iat=1845,1852, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 105 ASN QB 105 ASN HD21 3.46 (#SUP 3.63)
&rst
ixpk= 3, nxpk= 0, iat= -1,1584, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1=1579,1580,
&end
#
# 79 ILE HN 80 LEU HN 3.48 (#SUP 9.96)
&rst
ixpk= 9, nxpk= 0, iat=1166,1185, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 79 ILE HN 79 ILE HB 3.29 (#SUP 7.99)
&rst
ixpk= 7, nxpk= 0, iat=1166,1170, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 79 ILE HN 79 ILE QG2 4.21 (#SUP 7.63)
&rst
ixpk= 7, nxpk= 0, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1172,1173,1174,
&end
#
# 114 LYS HN 115 LEU HN 3.72 (#SUP 7.93)
&rst
ixpk= 7, nxpk= 0, iat=1709,1731, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 78 GLU HG2 79 ILE HN 5.35 (#SUP 8.87)
&rst
ixpk= 8, nxpk= 0, iat=1158,1166, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 114 LYS HN 114 LYS QB 3.44 (#SUP 6.78)
&rst
ixpk= 6, nxpk= 0, iat=1709, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1713,1714,
&end
#
# 27 GLY QA 28 LEU HN 3.35 (#SUP 4.05)
&rst
ixpk= 4, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr1= 390, 391,
&end
#
# 28 LEU HN 29 VAL HN 3.44 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= 395, 414, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 79 ILE HN 79 ILE QD1 3.98 (#SUP 8.68)
&rst
ixpk= 8, nxpk= 0, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1179,1180,1181,
&end
#
# 25 LEU QD2 28 LEU HN 5.17 (#SUP 6.78)
&rst
ixpk= 6, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 360, 361, 362,
&end
#
# 87 LEU HN 88 ARG HN 4.65 (#SUP 9.27)
&rst
ixpk= 9, nxpk= 0, iat=1301,1320, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 61 ASP HB2 62 ILE HN 3.96 (#SUP 9.11)
&rst
ixpk= 9, nxpk= 0, iat= 916, 924, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 87 LEU HN 87 LEU HB3 3.26 (#SUP 8.22)
&rst
ixpk= 8, nxpk= 0, iat=1301,1306, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 67 LEU HN 67 LEU HB3 3.55 (#SUP 6.29)
&rst
ixpk= 6, nxpk= 0, iat= 999,1004, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 109 VAL HN 109 VAL QG1 3.86 (#SUP 7.63)
&rst
ixpk= 7, nxpk= 0, iat=1636, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1642,1643,1644,
&end
#
# 61 ASP HN 62 ILE HN 3.50 (#SUP 9.60)
&rst
ixpk= 9, nxpk= 0, iat= 912, 924, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 128 LYS HN 161 GLY HN 5.29 (#SUP 3.51)
&rst
ixpk= 3, nxpk= 0, iat=1918,2456, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 67 LEU HN 68 VAL HN 3.81 (#SUP 7.48)
&rst
ixpk= 7, nxpk= 0, iat= 999,1018, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 61 ASP HB3 62 ILE HN 4.20 (#SUP 7.67)
&rst
ixpk= 7, nxpk= 0, iat= 917, 924, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 93 LEU HN 161 GLY HN 3.89 (#SUP 7.93)
&rst
ixpk= 7, nxpk= 0, iat=1383,2456, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 160 THR HA 161 GLY HN 3.08 (#SUP 5.05)
&rst
ixpk= 5, nxpk= 0, iat=2444,2456, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 92 CYS HA 161 GLY HN 4.52 (#SUP 7.48)
&rst
ixpk= 7, nxpk= 0, iat=1374,2456, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 160 THR QG2 161 GLY HN 4.58 (#SUP 6.61)
&rst
ixpk= 6, nxpk= 0, iat= -1,2456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=2448,2449,2450,
&end
#
# 94 PHE HA 161 GLY HN 5.11 (#SUP 4.29)
&rst
ixpk= 4, nxpk= 0, iat=1404,2456, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 75 HID HN 75 HID HE1 4.37 (#SUP 6.05)
&rst
ixpk= 6, nxpk= 0, iat=1113,1123, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 75 HID HE1 96 LYS HN 4.36 (#SUP 5.08)
&rst
ixpk= 5, nxpk= 0, iat=1123,1441, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 75 HID HE1 96 LYS HA 5.50 (#SUP 3.31)
&rst
ixpk= 3, nxpk= 0, iat=1123,1443, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 HID HE1 95 LEU HA 4.66 (#SUP 4.19)
&rst
ixpk= 4, nxpk= 0, iat=1123,1424, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 75 HID HE1 97 GLU HA 4.77 (#SUP 1.15)
&rst
ixpk= 1, nxpk= 0, iat=1123,1465, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 73 THR HB 75 HID HE1 3.85 (#SUP 1.43)
&rst
ixpk= 1, nxpk= 0, iat=1084,1123, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 75 HID HB2 75 HID HE1 4.81 (#SUP 4.42)
&rst
ixpk= 4, nxpk= 0, iat=1117,1123, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 75 HID HE1 95 LEU HB2 4.82 (#SUP 4.01)
&rst
ixpk= 4, nxpk= 0, iat=1123,1426, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 75 HID HE1 95 LEU HB3 3.86 (#SUP 5.91)
&rst
ixpk= 5, nxpk= 0, iat=1123,1427, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 47 ILE QD1 75 HID HE1 5.04 (#SUP 1.18)
&rst
ixpk= 1, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 695, 696, 697,
&end
#
# 73 THR QG2 75 HID HE1 3.93 (#SUP 5.50)
&rst
ixpk= 5, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1086,1087,1088,
&end
#
# 75 HID HE1 95 LEU QD2 4.14 (#SUP 9.58)
&rst
ixpk= 9, nxpk= 0, iat=1123, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1435,1436,1437,
&end
#
# 130 LEU HN 131 GLN HN 3.26 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat=1955,1974, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 131 GLN HN 132 ARG HA 4.72 (#SUP 6.98)
&rst
ixpk= 6, nxpk= 0, iat=1974,1993, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 129 GLU HA 131 GLN HN 4.10 (#SUP 7.45)
&rst
ixpk= 7, nxpk= 0, iat=1942,1974, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 131 GLN HN 131 GLN QG 3.82 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat=1974, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1981,1982,
&end
#
# 131 GLN HN 158 GLN HB2 4.05 (#SUP 9.33)
&rst
ixpk= 9, nxpk= 0, iat=1974,2410, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 131 GLN HN 131 GLN HB3 4.07 (#SUP 7.97)
&rst
ixpk= 7, nxpk= 0, iat=1974,1979, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 129 GLU HB2 131 GLN HN 4.67 (#SUP 7.82)
&rst
ixpk= 7, nxpk= 0, iat=1944,1974, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 129 GLU HG3 131 GLN HN 4.13 (#SUP 7.62)
&rst
ixpk= 7, nxpk= 0, iat=1948,1974, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 165 ASN HA 165 ASN HD21 4.90 (#SUP 5.14)
&rst
ixpk= 5, nxpk= 0, iat=2523,2530, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 165 ASN HB2 165 ASN HD21 3.83 (#SUP 5.11)
&rst
ixpk= 5, nxpk= 0, iat=2525,2530, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 141 GLN QG 141 GLN HE21 3.84 (#SUP 5.65)
&rst
ixpk= 5, nxpk= 0, iat= -1,2149, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=2144,2145,
&end
#
# 121 LEU HN 122 SER HN 3.45 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat=1815,1834, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 81 ALA HN 82 GLU HN 3.38 (#SUP 5.89)
&rst
ixpk= 5, nxpk= 0, iat=1204,1214, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 119 LEU HA 122 SER HN 3.79 (#SUP 2.41)
&rst
ixpk= 2, nxpk= 0, iat=1784,1834, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 80 LEU QD1 122 SER HN 4.69 (#SUP 3.64)
&rst
ixpk= 3, nxpk= 0, iat= -1,1834, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1194,1195,1196,
&end
#
# 35 LEU HN 36 THR HN 3.25 (#SUP 9.15)
&rst
ixpk= 9, nxpk= 0, iat= 510, 529, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 49 GLN HG2 50 LEU HN 4.57 (#SUP 7.92)
&rst
ixpk= 7, nxpk= 0, iat= 730, 740, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 131 GLN QG 131 GLN HE21 3.50 (#SUP 5.16)
&rst
ixpk= 5, nxpk= 0, iat= -1,1986, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1981,1982,
&end
#
# 35 LEU HN 35 LEU HG 3.60 (#SUP 9.27)
&rst
ixpk= 9, nxpk= 0, iat= 510, 517, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 35 LEU HN 35 LEU QQD 3.50 (#SUP 7.78)
&rst
ixpk= 7, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 523, 524, 525, 519, 520, 521,
&end
#
# 82 GLU HN 83 ILE QD1 5.28 (#SUP 5.60)
&rst
ixpk= 5, nxpk= 0, iat=1214, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=1242,1243,1244,
&end
#
# 31 LYS HN 33 GLN HN 4.28 (#SUP 5.66)
&rst
ixpk= 5, nxpk= 0, iat= 442, 483, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 31 LYS HN 32 LEU HN 3.38 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= 442, 464, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 29 VAL HN 31 LYS HN 4.74 (#SUP 6.15)
&rst
ixpk= 6, nxpk= 0, iat= 414, 442, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 30 ASP HN 31 LYS HN 3.31 (#SUP 7.30)
&rst
ixpk= 7, nxpk= 0, iat= 430, 442, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 35 LEU HN 35 LEU HB2 3.67 (#SUP 9.06)
&rst
ixpk= 9, nxpk= 0, iat= 510, 514, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 48 LYS HN 50 LEU HN 5.09 (#SUP 4.81)
&rst
ixpk= 4, nxpk= 0, iat= 701, 740, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 16 TRP HZ2 46 ASN HD22 4.75 (#SUP 5.83)
&rst
ixpk= 5, nxpk= 0, iat= 225, 678, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 16 TRP HZ2 46 ASN HD21 4.84 (#SUP 6.88)
&rst
ixpk= 6, nxpk= 0, iat= 225, 677, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 72 THR HB 156 PHE HZ 3.56 (#SUP 4.64)
&rst
ixpk= 4, nxpk= 0, iat=1070,2382, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 3 ASP HN 3 ASP HB2 3.58 (#SUP 5.29)
&rst
ixpk= 5, nxpk= 0, iat= 31, 35, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 143 VAL QG2 156 PHE HZ 4.34 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat= -1,2382, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=2175,2176,2177,
&end
#
# 16 TRP HZ2 25 LEU QD1 4.85 (#SUP 6.98)
&rst
ixpk= 6, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 356, 357, 358,
&end
#
# 72 THR QG2 156 PHE HZ 3.59 (#SUP 4.97)
&rst
ixpk= 4, nxpk= 0, iat= -1,2382, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1072,1073,1074,
&end
#
# 146 HID HN 146 HID HD2 3.89 (#SUP 8.15)
&rst
ixpk= 8, nxpk= 0, iat=2220,2233, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 72 THR HA 156 PHE QE 3.05 (#SUP 5.86)
&rst
ixpk= 5, nxpk= 0, iat=1068, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2=2380,2384,
&end
#
# 146 HID HB2 146 HID HD2 3.81 (#SUP 6.25)
&rst
ixpk= 6, nxpk= 0, iat=2224,2233, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 146 HID HB3 146 HID HD2 3.96 (#SUP 6.04)
&rst
ixpk= 6, nxpk= 0, iat=2225,2233, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 147 LEU HN 148 GLY HN 3.35 (#SUP 9.98)
&rst
ixpk= 9, nxpk= 0, iat=2237,2256, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 146 HID HA 146 HID HD2 3.63 (#SUP 5.38)
&rst
ixpk= 5, nxpk= 0, iat=2222,2233, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 143 VAL HA 148 GLY HN 4.74 (#SUP 5.93)
&rst
ixpk= 5, nxpk= 0, iat=2167,2256, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 147 LEU QD1 148 GLY HN 4.58 (#SUP 6.37)
&rst
ixpk= 6, nxpk= 0, iat= -1,2256, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=2246,2247,2248,
&end
#
# 136 THR HN 156 PHE QE 4.69 (#SUP 3.87)
&rst
ixpk= 3, nxpk= 0, iat=2063, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=2380,2384,
&end
#
# 73 THR HN 156 PHE QE 4.52 (#SUP 4.12)
&rst
ixpk= 4, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=2380,2384,
&end
#
# 97 GLU HA 156 PHE QE 4.14 (#SUP 5.48)
&rst
ixpk= 5, nxpk= 0, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=2380,2384,
&end
#
# 98 PRO HA 156 PHE QE 5.10 (#SUP 7.56)
&rst
ixpk= 7, nxpk= 0, iat=1488, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=2380,2384,
&end
#
# 144 ARG HA 148 GLY HN 3.19 (#SUP 4.99)
&rst
ixpk= 4, nxpk= 0, iat=2183,2256, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 98 PRO HD3 156 PHE QE 3.44 (#SUP 6.08)
&rst
ixpk= 6, nxpk= 0, iat=1480, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=2380,2384,
&end
#
# 139 GLU HB2 156 PHE QE 4.55 (#SUP 4.72)
&rst
ixpk= 4, nxpk= 0, iat=2110, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=2380,2384,
&end
#
# 139 GLU HB3 156 PHE QE 4.43 (#SUP 3.80)
&rst
ixpk= 3, nxpk= 0, iat=2111, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=2380,2384,
&end
#
# 98 PRO HB3 156 PHE QE 3.52 (#SUP 6.44)
&rst
ixpk= 6, nxpk= 0, iat=1486, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=2380,2384,
&end
#
# 72 THR QG2 156 PHE QE 3.60 (#SUP 5.91)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1072,1073,1074,
igr2=2380,2384,
&end
#
# 135 LEU QD1 156 PHE QE 4.18 (#SUP 7.93)
&rst
ixpk= 7, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=2053,2054,2055,
igr2=2380,2384,
&end
#
# 135 LEU QD2 156 PHE QE 4.19 (#SUP 8.55)
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1=2057,2058,2059,
igr2=2380,2384,
&end
#
# 92 CYS HB3 94 PHE HZ 4.93 (#SUP 2.86)
&rst
ixpk= 2, nxpk= 0, iat=1377,1414, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 15 VAL HN 66 GLY HN 4.76 (#SUP 5.12)
&rst
ixpk= 5, nxpk= 0, iat= 196, 992, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 94 PHE HZ 160 THR QG2 5.12 (#SUP 1.74)
&rst
ixpk= 1, nxpk= 0, iat=1414, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=2448,2449,2450,
&end
#
# 62 ILE QD1 94 PHE HZ 4.79 (#SUP 2.51)
&rst
ixpk= 2, nxpk= 0, iat= -1,1414, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 937, 938, 939,
&end
#
# 15 VAL QG2 66 GLY HN 5.25 (#SUP 7.61)
&rst
ixpk= 7, nxpk= 0, iat= -1, 992, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 206, 207, 208,
&end
#
# 10 GLN HN 11 PHE HN 4.54 (#SUP 8.66)
&rst
ixpk= 8, nxpk= 0, iat= 117, 134, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 9 GLY HN 10 GLN HN 3.72 (#SUP 8.56)
&rst
ixpk= 8, nxpk= 0, iat= 110, 117, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 8 ALA HA 10 GLN HN 3.81 (#SUP 4.55)
&rst
ixpk= 4, nxpk= 0, iat= 102, 117, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 92 CYS HB2 94 PHE HZ 4.20 (#SUP 2.60)
&rst
ixpk= 2, nxpk= 0, iat=1376,1414, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 15 VAL HB 66 GLY HN 3.35 (#SUP 7.61)
&rst
ixpk= 7, nxpk= 0, iat= 200, 992, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 10 GLN HN 10 GLN HG2 4.09 (#SUP 9.10)
&rst
ixpk= 9, nxpk= 0, iat= 117, 124, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 10 GLN HN 36 THR QG2 4.13 (#SUP 5.52)
&rst
ixpk= 5, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 535, 536, 537,
&end
#
# 11 PHE QE 41 ARG HN 4.47 (#SUP 9.57)
&rst
ixpk= 9, nxpk= 0, iat= -1, 586, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 144, 148,
&end
#
# 11 PHE HA 11 PHE QE 4.36 (#SUP 5.80)
&rst
ixpk= 5, nxpk= 0, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 144, 148,
&end
#
# 11 PHE QE 41 ARG HA 4.79 (#SUP 8.38)
&rst
ixpk= 8, nxpk= 0, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 144, 148,
&end
#
# 11 PHE QE 40 GLY HA3 4.01 (#SUP 4.74)
&rst
ixpk= 4, nxpk= 0, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 144, 148,
&end
#
# 11 PHE QE 40 GLY HA2 4.50 (#SUP 6.19)
&rst
ixpk= 6, nxpk= 0, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 144, 148,
&end
#
# 11 PHE QE 41 ARG HD2 4.50 (#SUP 7.80)
&rst
ixpk= 7, nxpk= 0, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 144, 148,
&end
#
# 11 PHE QE 41 ARG HG3 5.35 (#SUP 7.61)
&rst
ixpk= 7, nxpk= 0, iat= -1, 594, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 144, 148,
&end
#
# 11 PHE QE 41 ARG QB 3.83 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 144, 148,
igr2= 590, 591,
&end
#
# 94 PHE HN 94 PHE QE 4.85 (#SUP 6.71)
&rst
ixpk= 6, nxpk= 0, iat=1402, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1412,1416,
&end
#
# 62 ILE HA 94 PHE QE 4.91 (#SUP 2.70)
&rst
ixpk= 2, nxpk= 0, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1412,1416,
&end
#
# 94 PHE HA 94 PHE QE 4.85 (#SUP 5.12)
&rst
ixpk= 5, nxpk= 0, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1412,1416,
&end
#
# 92 CYS HB2 94 PHE QE 3.45 (#SUP 2.60)
&rst
ixpk= 2, nxpk= 0, iat=1376, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1412,1416,
&end
#
# 92 CYS HB3 94 PHE QE 3.90 (#SUP 2.86)
&rst
ixpk= 2, nxpk= 0, iat=1377, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1412,1416,
&end
#
# 94 PHE QE 130 LEU QD2 3.27 (#SUP 3.43)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1412,1416,
igr2=1968,1969,1970,
&end
#
# 62 ILE QD1 94 PHE QE 3.67 (#SUP 3.93)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 937, 938, 939,
igr2=1412,1416,
&end
#
# 94 PHE QE 130 LEU QD1 4.51 (#SUP 2.21)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1412,1416,
igr2=1964,1965,1966,
&end
#
# 64 LEU QD1 94 PHE QE 4.37 (#SUP 3.24)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 971, 972, 973,
igr2=1412,1416,
&end
#
# 34 ALA HN 35 LEU QQD 4.77 (#SUP 4.98)
&rst
ixpk= 4, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2= 523, 524, 525, 519, 520, 521,
&end
#
# 34 ALA HN 42 VAL QQG 4.90 (#SUP 4.55)
&rst
ixpk= 4, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 616, 617, 618, 620, 621, 622,
&end
#
# 33 GLN HN 34 ALA HN 3.39 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= 483, 500, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 34 ALA HN 36 THR HN 4.60 (#SUP 5.86)
&rst
ixpk= 5, nxpk= 0, iat= 500, 529, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 32 LEU HA 34 ALA HN 5.03 (#SUP 8.04)
&rst
ixpk= 8, nxpk= 0, iat= 466, 500, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 33 GLN HG2 34 ALA HN 5.00 (#SUP 8.71)
&rst
ixpk= 8, nxpk= 0, iat= 490, 500, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 33 GLN HG3 34 ALA HN 5.25 (#SUP 8.95)
&rst
ixpk= 8, nxpk= 0, iat= 491, 500, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 33 GLN HB2 34 ALA HN 3.73 (#SUP 9.21)
&rst
ixpk= 9, nxpk= 0, iat= 487, 500, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 33 GLN HB3 34 ALA HN 3.59 (#SUP 7.43)
&rst
ixpk= 7, nxpk= 0, iat= 488, 500, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 34 ALA HN 35 LEU HB2 5.86 (#SUP 7.29)
&rst
ixpk= 7, nxpk= 0, iat= 500, 514, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 34 ALA HN 35 LEU HG 5.50 (#SUP 6.92)
&rst
ixpk= 6, nxpk= 0, iat= 500, 517, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 GLN HE22 61 ASP HB3 5.34 (#SUP 6.76)
&rst
ixpk= 6, nxpk= 0, iat= 130, 917, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 10 GLN HG2 10 GLN HE22 4.03 (#SUP 5.46)
&rst
ixpk= 5, nxpk= 0, iat= 124, 130, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 11 PHE QD 41 ARG HG3 5.01 (#SUP 7.62)
&rst
ixpk= 7, nxpk= 0, iat= -1, 594, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 142, 150,
&end
#
# 11 PHE HN 11 PHE QD 4.13 (#SUP 8.20)
&rst
ixpk= 8, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 142, 150,
&end
#
# 11 PHE QD 61 ASP HN 5.50 (#SUP 5.90)
&rst
ixpk= 5, nxpk= 0, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 142, 150,
&end
#
# 11 PHE QD 12 VAL HN 4.44 (#SUP 6.80)
&rst
ixpk= 6, nxpk= 0, iat= -1, 154, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 142, 150,
&end
#
# 11 PHE QD 41 ARG HN 3.70 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= -1, 586, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 142, 150,
&end
#
# 11 PHE QD 60 PHE QE 5.12 (#SUP 2.87)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 142, 150,
igr2= 902, 906,
&end
#
# 11 PHE HA 11 PHE QD 3.43 (#SUP 6.65)
&rst
ixpk= 6, nxpk= 0, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 142, 150,
&end
#
# 11 PHE QD 40 GLY HA3 3.96 (#SUP 4.93)
&rst
ixpk= 4, nxpk= 0, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 142, 150,
&end
#
# 11 PHE QD 40 GLY HA2 4.37 (#SUP 6.40)
&rst
ixpk= 6, nxpk= 0, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 142, 150,
&end
#
# 11 PHE QD 41 ARG QB 3.55 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 142, 150,
igr2= 590, 591,
&end
#
# 11 PHE QD 36 THR QG2 5.50 (#SUP 3.71)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 142, 150,
igr2= 535, 536, 537,
&end
#
# 11 PHE QD 60 PHE QD 5.34 (#SUP 6.56)
&rst
ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 142, 150,
igr2= 900, 908,
&end
#
# 166 PHE QD 167 GLU HN 4.88 (#SUP 6.08)
&rst
ixpk= 6, nxpk= 0, iat= -1,2555, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=2543,2551,
&end
#
# 166 PHE HN 166 PHE QD 4.42 (#SUP 6.45)
&rst
ixpk= 6, nxpk= 0, iat=2535, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=2543,2551,
&end
#
# 166 PHE HA 166 PHE QD 3.50 (#SUP 4.44)
&rst
ixpk= 4, nxpk= 0, iat=2537, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2543,2551,
&end
#
# 29 VAL HA 33 GLN HE21 5.50 (#SUP 5.82)
&rst
ixpk= 5, nxpk= 0, iat= 416, 495, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 TRP HH2 46 ASN HD21 4.90 (#SUP 6.05)
&rst
ixpk= 6, nxpk= 0, iat= 227, 677, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 33 GLN HG2 33 GLN HE21 3.97 (#SUP 5.70)
&rst
ixpk= 5, nxpk= 0, iat= 490, 495, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 33 GLN HG3 33 GLN HE21 3.81 (#SUP 5.22)
&rst
ixpk= 5, nxpk= 0, iat= 491, 495, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 29 VAL QG2 33 GLN HE21 4.37 (#SUP 6.25)
&rst
ixpk= 6, nxpk= 0, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 424, 425, 426,
&end
#
# 33 GLN HE21 42 VAL QQG 5.00 (#SUP 6.98)
&rst
ixpk= 6, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 616, 617, 618, 620, 621, 622,
&end
#
# 16 TRP HH2 46 ASN HD22 4.69 (#SUP 5.46)
&rst
ixpk= 5, nxpk= 0, iat= 227, 678, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 9 GLY HA2 40 GLY HN 4.67 (#SUP 8.87)
&rst
ixpk= 8, nxpk= 0, iat= 112, 579, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 3 ASP HB2 4 PHE HN 4.27 (#SUP 6.58)
&rst
ixpk= 6, nxpk= 0, iat= 35, 43, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 4 PHE HN 5 GLY HN 4.33 (#SUP 7.48)
&rst
ixpk= 7, nxpk= 0, iat= 43, 63, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 4 PHE HN 4 PHE HB2 4.00 (#SUP 7.04)
&rst
ixpk= 7, nxpk= 0, iat= 43, 47, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 4 PHE HN 4 PHE HB3 3.85 (#SUP 6.54)
&rst
ixpk= 6, nxpk= 0, iat= 43, 48, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 121 LEU HA 124 LEU HN 5.24 (#SUP 5.64)
&rst
ixpk= 5, nxpk= 0, iat=1817,1852, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 124 LEU HN 125 VAL HN 4.57 (#SUP 7.31)
&rst
ixpk= 7, nxpk= 0, iat=1852,1871, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 122 SER HN 124 LEU HN 4.56 (#SUP 8.08)
&rst
ixpk= 8, nxpk= 0, iat=1834,1852, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 119 LEU HA 124 LEU HN 4.73 (#SUP 2.49)
&rst
ixpk= 2, nxpk= 0, iat=1784,1852, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 122 SER HB3 124 LEU HN 5.09 (#SUP 5.64)
&rst
ixpk= 5, nxpk= 0, iat=1839,1852, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 124 LEU HN 127 VAL QG2 4.97 (#SUP 1.22)
&rst
ixpk= 1, nxpk= 0, iat=1852, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1912,1913,1914,
&end
#
# 124 LEU HN 124 LEU QQD 4.07 (#SUP 6.61)
&rst
ixpk= 6, nxpk= 0, iat=1852, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1865,1866,1867,1861,1862,1863,
&end
#
# 139 GLU HB2 156 PHE QD 5.50 (#SUP 2.96)
&rst
ixpk= 2, nxpk= 0, iat=2110, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2378,2386,
&end
#
# 136 THR HN 156 PHE QD 4.99 (#SUP 5.62)
&rst
ixpk= 5, nxpk= 0, iat=2063, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=2378,2386,
&end
#
# 156 PHE HN 156 PHE QD 3.91 (#SUP 9.20)
&rst
ixpk= 9, nxpk= 0, iat=2370, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=2378,2386,
&end
#
# 99 VAL HN 156 PHE QD 4.63 (#SUP 8.56)
&rst
ixpk= 8, nxpk= 0, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=2378,2386,
&end
#
# 135 LEU HN 156 PHE QD 5.11 (#SUP 6.49)
&rst
ixpk= 6, nxpk= 0, iat=2044, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=2378,2386,
&end
#
# 156 PHE QD 157 VAL HN 3.53 (#SUP 6.50)
&rst
ixpk= 6, nxpk= 0, iat= -1,2390, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=2378,2386,
&end
#
# 97 GLU HA 156 PHE QD 4.43 (#SUP 6.47)
&rst
ixpk= 6, nxpk= 0, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=2378,2386,
&end
#
# 156 PHE HA 156 PHE QD 3.17 (#SUP 6.58)
&rst
ixpk= 6, nxpk= 0, iat=2372, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2=2378,2386,
&end
#
# 98 PRO HA 156 PHE QD 3.52 (#SUP 8.20)
&rst
ixpk= 8, nxpk= 0, iat=1488, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=2378,2386,
&end
#
# 135 LEU HA 156 PHE QD 3.84 (#SUP 6.01)
&rst
ixpk= 6, nxpk= 0, iat=2046, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=2378,2386,
&end
#
# 72 THR HA 156 PHE QD 4.56 (#SUP 4.67)
&rst
ixpk= 4, nxpk= 0, iat=1068, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=2378,2386,
&end
#
# 98 PRO HD2 156 PHE QD 5.20 (#SUP 4.80)
&rst
ixpk= 4, nxpk= 0, iat=1479, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=2378,2386,
&end
#
# 98 PRO HD3 156 PHE QD 4.76 (#SUP 7.12)
&rst
ixpk= 7, nxpk= 0, iat=1480, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=2378,2386,
&end
#
# 133 GLU QG 156 PHE QD 4.64 (#SUP 4.57)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=2022,2023,
igr2=2378,2386,
&end
#
# 98 PRO HB3 156 PHE QD 3.67 (#SUP 7.37)
&rst
ixpk= 7, nxpk= 0, iat=1486, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=2378,2386,
&end
#
# 72 THR QG2 156 PHE QD 5.01 (#SUP 4.60)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1=1072,1073,1074,
igr2=2378,2386,
&end
#
# 96 LYS QD 156 PHE QD 4.45 (#SUP 4.33)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1451,1452,
igr2=2378,2386,
&end
#
# 99 VAL QQG 156 PHE QD 5.50 (#SUP 2.94)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1498,1499,1500,1502,1503,1504,
igr2=2378,2386,
&end
#
# 135 LEU QD1 156 PHE QD 4.35 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=2053,2054,2055,
igr2=2378,2386,
&end
#
# 135 LEU QD2 156 PHE QD 3.69 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=2057,2058,2059,
igr2=2378,2386,
&end
#
# 55 HID HN 55 HID HD2 3.95 (#SUP 6.15)
&rst
ixpk= 6, nxpk= 0, iat= 816, 829, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 55 HID HD2 60 PHE QE 4.82 (#SUP 4.37)
&rst
ixpk= 4, nxpk= 0, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2= 902, 906,
&end
#
# 55 HID HA 55 HID HD2 4.52 (#SUP 4.57)
&rst
ixpk= 4, nxpk= 0, iat= 818, 829, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 54 ALA HA 55 HID HD2 5.48 (#SUP 5.24)
&rst
ixpk= 5, nxpk= 0, iat= 808, 829, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 53 SER HB3 55 HID HD2 4.65 (#SUP 4.44)
&rst
ixpk= 4, nxpk= 0, iat= 800, 829, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 55 HID HB2 55 HID HD2 3.89 (#SUP 4.78)
&rst
ixpk= 4, nxpk= 0, iat= 820, 829, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 54 ALA QB 55 HID HD2 5.46 (#SUP 6.01)
&rst
ixpk= 6, nxpk= 0, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 810, 811, 812,
&end
#
# 55 HID HD2 86 ILE QD1 4.11 (#SUP 3.10)
&rst
ixpk= 3, nxpk= 0, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1295,1296,1297,
&end
#
# 16 TRP HZ3 17 ASP HN 5.45 (#SUP 5.76)
&rst
ixpk= 5, nxpk= 0, iat= 229, 236, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 16 TRP HZ3 46 ASN HD22 5.04 (#SUP 4.27)
&rst
ixpk= 4, nxpk= 0, iat= 229, 678, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 16 TRP HZ3 46 ASN HD21 5.50 (#SUP 4.29)
&rst
ixpk= 4, nxpk= 0, iat= 229, 677, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 ASN HA 38 ASN HD21 4.71 (#SUP 2.78)
&rst
ixpk= 2, nxpk= 0, iat= 552, 559, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 38 ASN QB 38 ASN HD21 3.66 (#SUP 5.09)
&rst
ixpk= 5, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 554, 555,
&end
#
# 16 TRP HZ3 25 LEU QD1 5.15 (#SUP 5.47)
&rst
ixpk= 5, nxpk= 0, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2= 356, 357, 358,
&end
#
# 153 ASN HA 153 ASN HD22 5.50 (#SUP 5.56)
&rst
ixpk= 5, nxpk= 0, iat=2320,2328, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 TRP HB2 16 TRP HZ3 4.93 (#SUP 6.23)
&rst
ixpk= 6, nxpk= 0, iat= 216, 229, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 94 PHE HA 94 PHE QD 3.79 (#SUP 5.84)
&rst
ixpk= 5, nxpk= 0, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1410,1418,
&end
#
# 144 ARG HA 149 HID HN 3.33 (#SUP 7.71)
&rst
ixpk= 7, nxpk= 0, iat=2183,2263, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 16 TRP HB3 16 TRP HD1 3.62 (#SUP 4.98)
&rst
ixpk= 4, nxpk= 0, iat= 217, 220, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 149 HID HN 149 HID HB2 3.05 (#SUP 6.47)
&rst
ixpk= 6, nxpk= 0, iat=2263,2267, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 149 HID HN 149 HID HB3 3.61 (#SUP 5.47)
&rst
ixpk= 5, nxpk= 0, iat=2263,2268, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 143 VAL HB 149 HID HN 5.55 (#SUP 6.11)
&rst
ixpk= 6, nxpk= 0, iat=2169,2263, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 94 PHE QD 130 LEU QD2 3.28 (#SUP 6.73)
&rst
ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=1410,1418,
igr2=1968,1969,1970,
&end
#
# 64 LEU QD2 94 PHE QD 5.00 (#SUP 3.89)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 975, 976, 977,
igr2=1410,1418,
&end
#
# 64 LEU QD1 94 PHE QD 3.53 (#SUP 6.83)
&rst
ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 971, 972, 973,
igr2=1410,1418,
&end
#
# 94 PHE HN 94 PHE QD 3.34 (#SUP 7.71)
&rst
ixpk= 7, nxpk= 0, iat=1402, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=1410,1418,
&end
#
# 16 TRP HN 16 TRP HD1 3.40 (#SUP 6.60)
&rst
ixpk= 6, nxpk= 0, iat= 212, 220, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 15 VAL HA 16 TRP HD1 3.78 (#SUP 7.26)
&rst
ixpk= 7, nxpk= 0, iat= 198, 220, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 64 LEU HA 94 PHE QD 4.47 (#SUP 5.60)
&rst
ixpk= 5, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1410,1418,
&end
#
# 93 LEU HA 94 PHE QD 4.08 (#SUP 5.99)
&rst
ixpk= 5, nxpk= 0, iat=1385, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1410,1418,
&end
#
# 94 PHE QD 130 LEU HG 5.16 (#SUP 2.52)
&rst
ixpk= 2, nxpk= 0, iat= -1,1962, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=1410,1418,
&end
#
# 16 TRP HD1 44 VAL QQG 3.21 (#SUP 4.05)
&rst
ixpk= 4, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2= 643, 644, 645, 647, 648, 649,
&end
#
# 16 TRP HD1 25 LEU QD2 4.18 (#SUP 7.13)
&rst
ixpk= 7, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 360, 361, 362,
&end
#
# 16 TRP HD1 25 LEU QD1 4.25 (#SUP 7.05)
&rst
ixpk= 7, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 356, 357, 358,
&end
#
# 60 PHE HA 60 PHE QD 3.06 (#SUP 7.75)
&rst
ixpk= 7, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2= 900, 908,
&end
#
# 60 PHE QD 61 ASP HN 4.21 (#SUP 8.68)
&rst
ixpk= 8, nxpk= 0, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 900, 908,
&end
#
# 12 VAL HN 60 PHE QD 5.02 (#SUP 7.55)
&rst
ixpk= 7, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 900, 908,
&end
#
# 13 ALA HN 60 PHE QD 4.24 (#SUP 6.65)
&rst
ixpk= 6, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 900, 908,
&end
#
# 12 VAL HA 60 PHE QD 3.96 (#SUP 9.51)
&rst
ixpk= 9, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 900, 908,
&end
#
# 59 SER HB2 60 PHE QD 4.38 (#SUP 7.91)
&rst
ixpk= 7, nxpk= 0, iat= 885, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 900, 908,
&end
#
# 11 PHE HB2 60 PHE QD 3.90 (#SUP 7.65)
&rst
ixpk= 7, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 900, 908,
&end
#
# 106 ASN HB3 106 ASN HD22 4.07 (#SUP 5.64)
&rst
ixpk= 5, nxpk= 0, iat=1594,1599, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 4 PHE HZ 67 LEU HB2 4.22 (#SUP 3.18)
&rst
ixpk= 3, nxpk= 0, iat= 55,1003, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 60 PHE QD 86 ILE HG13 4.09 (#SUP 7.85)
&rst
ixpk= 7, nxpk= 0, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 900, 908,
&end
#
# 60 PHE QD 63 ILE QD1 3.34 (#SUP 5.71)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 900, 908,
igr2= 956, 957, 958,
&end
#
# 13 ALA QB 60 PHE QD 4.06 (#SUP 6.67)
&rst
ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 174, 175, 176,
igr2= 900, 908,
&end
#
# 165 ASN HA 165 ASN HD22 4.46 (#SUP 4.37)
&rst
ixpk= 4, nxpk= 0, iat=2523,2531, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 60 PHE QD 86 ILE HA 4.50 (#SUP 9.21)
&rst
ixpk= 9, nxpk= 0, iat= -1,1284, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 900, 908,
&end
#
# 90 GLY HA3 165 ASN HD22 5.23 (#SUP 3.75)
&rst
ixpk= 3, nxpk= 0, iat=1361,2531, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 55 HID HB2 60 PHE QD 5.34 (#SUP 2.13)
&rst
ixpk= 2, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 900, 908,
&end
#
# 60 PHE QD 86 ILE HB 3.44 (#SUP 9.99)
&rst
ixpk= 9, nxpk= 0, iat= -1,1286, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1= 900, 908,
&end
#
# 3 ASP HB3 4 PHE HZ 5.50 (#SUP 3.26)
&rst
ixpk= 3, nxpk= 0, iat= 36, 55, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 ALA HN 25 LEU HB2 4.91 (#SUP 6.94)
&rst
ixpk= 6, nxpk= 0, iat= 337, 351, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 4 PHE HZ 67 LEU QD1 3.46 (#SUP 2.68)
&rst
ixpk= 2, nxpk= 0, iat= 55, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1008,1009,1010,
&end
#
# 23 GLU HN 24 ALA HN 3.45 (#SUP 9.83)
&rst
ixpk= 9, nxpk= 0, iat= 322, 337, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 24 ALA HN 25 LEU HN 3.41 (#SUP 8.84)
&rst
ixpk= 8, nxpk= 0, iat= 337, 347, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 23 GLU QB 24 ALA HN 3.57 (#SUP 6.62)
&rst
ixpk= 6, nxpk= 0, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 326, 327,
&end
#
# 60 PHE QD 86 ILE HG12 3.97 (#SUP 4.63)
&rst
ixpk= 4, nxpk= 0, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 900, 908,
&end
#
# 46 ASN HB2 49 GLN HE22 5.48 (#SUP 1.28)
&rst
ixpk= 1, nxpk= 0, iat= 672, 736, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 131 GLN HE22 158 GLN HG2 5.50 (#SUP 2.88)
&rst
ixpk= 2, nxpk= 0, iat=1987,2413, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 LEU HB2 52 GLN HE22 5.36 (#SUP 4.98)
&rst
ixpk= 4, nxpk= 0, iat= 763, 791, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 131 GLN HE22 158 GLN HE21 4.44 (#SUP 4.49)
&rst
ixpk= 4, nxpk= 0, iat=1987,2418, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 4 PHE QE 31 LYS QE 4.52 (#SUP 2.42)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 53, 57,
igr2= 455, 456,
&end
#
# 131 GLN QG 131 GLN HE22 3.91 (#SUP 7.34)
&rst
ixpk= 7, nxpk= 0, iat= -1,1987, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1=1981,1982,
&end
#
# 4 PHE QE 67 LEU HB2 4.79 (#SUP 3.02)
&rst
ixpk= 3, nxpk= 0, iat= -1,1003, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 53, 57,
&end
#
# 130 LEU QD2 131 GLN HE22 4.68 (#SUP 5.74)
&rst
ixpk= 5, nxpk= 0, iat= -1,1987, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1968,1969,1970,
&end
#
# 130 LEU QD1 131 GLN HE22 4.66 (#SUP 4.92)
&rst
ixpk= 4, nxpk= 0, iat= -1,1987, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1964,1965,1966,
&end
#
# 4 PHE QE 67 LEU HG 3.58 (#SUP 4.09)
&rst
ixpk= 4, nxpk= 0, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 53, 57,
&end
#
# 4 PHE QE 64 LEU QD1 4.19 (#SUP 4.75)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 53, 57,
igr2= 971, 972, 973,
&end
#
# 13 ALA HN 60 PHE QE 5.47 (#SUP 6.20)
&rst
ixpk= 6, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 902, 906,
&end
#
# 13 ALA HA 60 PHE QE 4.44 (#SUP 3.88)
&rst
ixpk= 3, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 902, 906,
&end
#
# 56 LYS QE 60 PHE QE 4.10 (#SUP 3.81)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 846, 847,
igr2= 902, 906,
&end
#
# 60 PHE QE 86 ILE HB 4.05 (#SUP 6.73)
&rst
ixpk= 6, nxpk= 0, iat= -1,1286, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 902, 906,
&end
#
# 60 PHE QE 86 ILE QG2 4.49 (#SUP 5.45)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 902, 906,
igr2=1288,1289,1290,
&end
#
# 43 SER HN 60 PHE QE 4.27 (#SUP 5.41)
&rst
ixpk= 5, nxpk= 0, iat= 626, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 902, 906,
&end
#
# 55 HID HN 60 PHE QE 4.79 (#SUP 6.08)
&rst
ixpk= 6, nxpk= 0, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 902, 906,
&end
#
# 56 LYS HN 60 PHE QE 5.30 (#SUP 4.45)
&rst
ixpk= 4, nxpk= 0, iat= 833, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2= 902, 906,
&end
#
# 12 VAL HA 60 PHE QE 4.94 (#SUP 7.52)
&rst
ixpk= 7, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 902, 906,
&end
#
# 42 VAL HA 60 PHE QE 4.94 (#SUP 3.86)
&rst
ixpk= 3, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 902, 906,
&end
#
# 43 SER HA 60 PHE QE 4.52 (#SUP 3.22)
&rst
ixpk= 3, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 902, 906,
&end
#
# 60 PHE QE 86 ILE HA 5.40 (#SUP 5.76)
&rst
ixpk= 5, nxpk= 0, iat= -1,1284, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 902, 906,
&end
#
# 43 SER HB2 60 PHE QE 3.81 (#SUP 4.91)
&rst
ixpk= 4, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 902, 906,
&end
#
# 43 SER HB3 60 PHE QE 3.52 (#SUP 7.31)
&rst
ixpk= 7, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 902, 906,
&end
#
# 59 SER HB2 60 PHE QE 4.61 (#SUP 6.33)
&rst
ixpk= 6, nxpk= 0, iat= 885, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 902, 906,
&end
#
# 11 PHE HB2 60 PHE QE 5.30 (#SUP 4.28)
&rst
ixpk= 4, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2= 902, 906,
&end
#
# 55 HID HB2 60 PHE QE 4.36 (#SUP 4.97)
&rst
ixpk= 4, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 902, 906,
&end
#
# 55 HID HB3 60 PHE QE 4.06 (#SUP 4.97)
&rst
ixpk= 4, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 902, 906,
&end
#
# 41 ARG HD3 60 PHE QE 5.50 (#SUP 1.74)
&rst
ixpk= 1, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 902, 906,
&end
#
# 60 PHE QE 86 ILE HG13 4.44 (#SUP 5.12)
&rst
ixpk= 5, nxpk= 0, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 902, 906,
&end
#
# 60 PHE QE 86 ILE QD1 3.66 (#SUP 5.72)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 902, 906,
igr2=1295,1296,1297,
&end
#
# 13 ALA QB 60 PHE QE 3.92 (#SUP 6.87)
&rst
ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 174, 175, 176,
igr2= 902, 906,
&end
#
# 158 GLN HB2 158 GLN HE22 4.86 (#SUP 5.80)
&rst
ixpk= 5, nxpk= 0, iat=2410,2419, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 43 SER HN 60 PHE HZ 5.12 (#SUP 3.87)
&rst
ixpk= 3, nxpk= 0, iat= 626, 904, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 55 HID HD2 60 PHE HZ 5.42 (#SUP 3.23)
&rst
ixpk= 3, nxpk= 0, iat= 829, 904, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 60 PHE QD 60 PHE HZ 4.00 (#SUP 4.93)
&rst
ixpk= 4, nxpk= 0, iat= -1, 904, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 900, 908,
&end
#
# 13 ALA HA 60 PHE HZ 5.26 (#SUP 2.00)
&rst
ixpk= 2, nxpk= 0, iat= 172, 904, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 43 SER HB2 60 PHE HZ 3.89 (#SUP 3.87)
&rst
ixpk= 3, nxpk= 0, iat= 630, 904, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 43 SER HB3 60 PHE HZ 3.74 (#SUP 5.32)
&rst
ixpk= 5, nxpk= 0, iat= 631, 904, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 59 SER HB2 60 PHE HZ 5.50 (#SUP 4.68)
&rst
ixpk= 4, nxpk= 0, iat= 885, 904, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 HID HB3 60 PHE HZ 5.40 (#SUP 3.23)
&rst
ixpk= 3, nxpk= 0, iat= 821, 904, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 56 LYS QE 60 PHE HZ 5.40 (#SUP 2.56)
&rst
ixpk= 2, nxpk= 0, iat= -1, 904, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 846, 847,
&end
#
# 60 PHE HZ 86 ILE HB 5.50 (#SUP 1.99)
&rst
ixpk= 1, nxpk= 0, iat= 904,1286, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 ALA QB 60 PHE HZ 4.39 (#SUP 3.81)
&rst
ixpk= 3, nxpk= 0, iat= -1, 904, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 174, 175, 176,
&end
#
# 149 HID HD2 150 GLU HN 4.30 (#SUP 7.62)
&rst
ixpk= 7, nxpk= 0, iat=2276,2280, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 149 HID HA 149 HID HD2 4.44 (#SUP 5.71)
&rst
ixpk= 5, nxpk= 0, iat=2265,2276, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 149 HID HD2 150 GLU HA 4.79 (#SUP 7.04)
&rst
ixpk= 7, nxpk= 0, iat=2276,2282, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 149 HID HD2 151 SER HB2 4.09 (#SUP 1.54)
&rst
ixpk= 1, nxpk= 0, iat=2276,2299, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 149 HID HB3 149 HID HD2 3.97 (#SUP 4.93)
&rst
ixpk= 4, nxpk= 0, iat=2268,2276, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 149 HID HD2 154 LEU HB2 5.50 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat=2276,2336, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 VAL HB 149 HID HD2 4.73 (#SUP 4.41)
&rst
ixpk= 4, nxpk= 0, iat=1640,2276, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 109 VAL QG1 149 HID HD2 4.43 (#SUP 4.86)
&rst
ixpk= 4, nxpk= 0, iat= -1,2276, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1642,1643,1644,
&end
#
# 149 HID HD2 154 LEU QQD 3.60 (#SUP 4.13)
&rst
ixpk= 4, nxpk= 0, iat=2276, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=2345,2346,2347,2341,2342,2343,
&end
#
# 109 VAL QG2 149 HID HD2 3.95 (#SUP 6.85)
&rst
ixpk= 6, nxpk= 0, iat= -1,2276, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1646,1647,1648,
&end
#
# 6 ILE HA 10 GLN HE21 4.67 (#SUP 2.96)
&rst
ixpk= 2, nxpk= 0, iat= 72, 129, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 10 GLN HE21 61 ASP HB2 4.98 (#SUP 7.73)
&rst
ixpk= 7, nxpk= 0, iat= 129, 916, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 10 GLN HE21 61 ASP HB3 5.50 (#SUP 6.63)
&rst
ixpk= 6, nxpk= 0, iat= 129, 917, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 131 GLN QG 158 GLN HE21 4.87 (#SUP 3.54)
&rst
ixpk= 3, nxpk= 0, iat= -1,2418, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1981,1982,
&end
#
# 46 ASN HB3 46 ASN HD22 3.94 (#SUP 4.18)
&rst
ixpk= 4, nxpk= 0, iat= 673, 678, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 46 ASN HA 46 ASN HD22 5.50 (#SUP 4.06)
&rst
ixpk= 4, nxpk= 0, iat= 670, 678, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 111 THR HN 114 LYS HA 5.00 (#SUP 4.81)
&rst
ixpk= 4, nxpk= 0, iat=1674,1711, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 111 THR HN 114 LYS QB 3.54 (#SUP 4.69)
&rst
ixpk= 4, nxpk= 0, iat=1674, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2=1713,1714,
&end
#
# 110 LYS QD 111 THR HN 5.19 (#SUP 5.00)
&rst
ixpk= 5, nxpk= 0, iat= -1,1674, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1=1662,1663,
&end
#
# 110 LYS QG 111 THR HN 5.50 (#SUP 5.37)
&rst
ixpk= 5, nxpk= 0, iat= -1,1674, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1659,1660,
&end
#
# 111 THR HN 114 LYS QG 5.31 (#SUP 4.57)
&rst
ixpk= 4, nxpk= 0, iat=1674, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1716,1717,
&end
#
# 75 HID HN 75 HID HD2 5.17 (#SUP 7.60)
&rst
ixpk= 7, nxpk= 0, iat=1113,1126, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 75 HID HD2 80 LEU HN 5.30 (#SUP 7.84)
&rst
ixpk= 7, nxpk= 0, iat=1126,1185, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 75 HID HA 75 HID HD2 3.92 (#SUP 5.69)
&rst
ixpk= 5, nxpk= 0, iat=1115,1126, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 65 SER HB2 75 HID HD2 4.27 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 985,1126, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 75 HID HB2 75 HID HD2 3.84 (#SUP 5.76)
&rst
ixpk= 5, nxpk= 0, iat=1117,1126, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 75 HID HB3 75 HID HD2 3.69 (#SUP 4.44)
&rst
ixpk= 4, nxpk= 0, iat=1118,1126, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 47 ILE QG2 75 HID HD2 4.72 (#SUP 4.59)
&rst
ixpk= 4, nxpk= 0, iat= -1,1126, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 688, 689, 690,
&end
#
# 50 LEU QQD 75 HID HD2 5.37 (#SUP 0.73)
&rst
ixpk= 0, nxpk= 0, iat= -1,1126, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr1= 753, 754, 755, 749, 750, 751,
&end
#
# 75 HID HD2 80 LEU QD2 4.13 (#SUP 8.28)
&rst
ixpk= 8, nxpk= 0, iat=1126, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1198,1199,1200,
&end
#
# 73 THR QG2 75 HID HD2 4.37 (#SUP 4.66)
&rst
ixpk= 4, nxpk= 0, iat= -1,1126, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1086,1087,1088,
&end
#
# 75 HID HD2 95 LEU QD2 4.17 (#SUP 6.83)
&rst
ixpk= 6, nxpk= 0, iat=1126, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1435,1436,1437,
&end
#
# 75 HID HD2 76 SER HN 5.01 (#SUP 5.96)
&rst
ixpk= 5, nxpk= 0, iat=1126,1130, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 75 HID HD2 95 LEU HB3 5.50 (#SUP 2.49)
&rst
ixpk= 2, nxpk= 0, iat=1126,1427, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 HID HD2 79 ILE QG2 3.31 (#SUP 8.73)
&rst
ixpk= 8, nxpk= 0, iat=1126, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1172,1173,1174,
&end
#
# 47 ILE QD1 75 HID HD2 3.41 (#SUP 4.00)
&rst
ixpk= 4, nxpk= 0, iat= -1,1126, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 695, 696, 697,
&end
#
# 4 PHE QD 6 ILE HN 5.08 (#SUP 6.01)
&rst
ixpk= 6, nxpk= 0, iat= -1, 70, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 51, 59,
&end
#
# 4 PHE HN 4 PHE QD 3.88 (#SUP 7.17)
&rst
ixpk= 7, nxpk= 0, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 51, 59,
&end
#
# 4 PHE QD 4 PHE HZ 3.83 (#SUP 4.12)
&rst
ixpk= 4, nxpk= 0, iat= -1, 55, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 51, 59,
&end
#
# 3 ASP HA 4 PHE QD 4.72 (#SUP 6.37)
&rst
ixpk= 6, nxpk= 0, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 51, 59,
&end
#
# 4 PHE QD 31 LYS QE 5.50 (#SUP 2.26)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 51, 59,
igr2= 455, 456,
&end
#
# 3 ASP HB2 4 PHE QD 5.06 (#SUP 5.60)
&rst
ixpk= 5, nxpk= 0, iat= 35, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 51, 59,
&end
#
# 4 PHE QD 6 ILE HB 5.16 (#SUP 4.91)
&rst
ixpk= 4, nxpk= 0, iat= -1, 74, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 51, 59,
&end
#
# 4 PHE QD 6 ILE HG12 4.52 (#SUP 4.97)
&rst
ixpk= 4, nxpk= 0, iat= -1, 80, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 51, 59,
&end
#
# 4 PHE QD 64 LEU HB3 5.42 (#SUP 2.96)
&rst
ixpk= 2, nxpk= 0, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 51, 59,
&end
#
# 4 PHE QD 130 LEU QD1 5.50 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 51, 59,
igr2=1964,1965,1966,
&end
#
# 4 PHE QD 6 ILE QD1 3.50 (#SUP 6.98)
&rst
ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 51, 59,
igr2= 83, 84, 85,
&end
#
# 4 PHE QD 67 LEU HG 4.39 (#SUP 3.31)
&rst
ixpk= 3, nxpk= 0, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 51, 59,
&end
#
# 4 PHE QD 64 LEU QD2 4.24 (#SUP 4.97)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 51, 59,
igr2= 975, 976, 977,
&end
#
# 4 PHE QD 64 LEU QD1 4.02 (#SUP 5.91)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 51, 59,
igr2= 971, 972, 973,
&end
#
# 96 LYS HA 158 GLN HA 3.71 (#SUP 7.85)
&rst
ixpk= 7, nxpk= 0, iat=1443,2408, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 96 LYS HA 158 GLN HG2 5.20 (#SUP 7.25)
&rst
ixpk= 7, nxpk= 0, iat=1443,2413, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 95 LEU QD1 96 LYS HA 4.52 (#SUP 9.43)
&rst
ixpk= 9, nxpk= 0, iat= -1,1443, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1431,1432,1433,
&end
#
# 94 PHE HA 95 LEU HA 4.94 (#SUP 7.33)
&rst
ixpk= 7, nxpk= 0, iat=1404,1424, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 65 SER HB3 95 LEU HA 5.39 (#SUP 6.94)
&rst
ixpk= 6, nxpk= 0, iat= 986,1424, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 11 PHE HA 41 ARG HA 4.92 (#SUP 5.84)
&rst
ixpk= 5, nxpk= 0, iat= 136, 588, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 131 GLN HA 132 ARG HA 4.55 (#SUP 7.93)
&rst
ixpk= 7, nxpk= 0, iat=1976,1993, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 12 VAL HA 61 ASP HN 4.62 (#SUP 8.01)
&rst
ixpk= 8, nxpk= 0, iat= 156, 912, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 132 ARG HA 133 GLU HA 4.55 (#SUP 8.18)
&rst
ixpk= 8, nxpk= 0, iat=1993,2017, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 132 ARG HA 157 VAL HA 3.33 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat=1993,2392, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 132 ARG HA 132 ARG HD2 4.85 (#SUP 7.59)
&rst
ixpk= 7, nxpk= 0, iat=1993,2001, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 132 ARG HA 132 ARG HG3 3.99 (#SUP 8.45)
&rst
ixpk= 8, nxpk= 0, iat=1993,1999, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 158 GLN HA 159 ILE HB 4.76 (#SUP 7.91)
&rst
ixpk= 7, nxpk= 0, iat=2408,2427, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 12 VAL HA 63 ILE HA 4.54 (#SUP 7.87)
&rst
ixpk= 7, nxpk= 0, iat= 156, 945, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 95 LEU QD1 158 GLN HA 5.50 (#SUP 8.19)
&rst
ixpk= 8, nxpk= 0, iat= -1,2408, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1431,1432,1433,
&end
#
# 12 VAL HA 60 PHE HA 4.54 (#SUP 4.64)
&rst
ixpk= 4, nxpk= 0, iat= 156, 894, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 93 LEU QD2 160 THR HA 4.77 (#SUP 3.74)
&rst
ixpk= 3, nxpk= 0, iat= -1,2444, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1396,1397,1398,
&end
#
# 94 PHE HN 160 THR HA 5.50 (#SUP 4.34)
&rst
ixpk= 4, nxpk= 0, iat=1402,2444, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 PHE QE 160 THR HA 5.15 (#SUP 6.32)
&rst
ixpk= 6, nxpk= 0, iat= -1,2444, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1412,1416,
&end
#
# 94 PHE QD 160 THR HA 4.40 (#SUP 6.65)
&rst
ixpk= 6, nxpk= 0, iat= -1,2444, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1410,1418,
&end
#
# 94 PHE HA 160 THR HA 3.68 (#SUP 6.72)
&rst
ixpk= 6, nxpk= 0, iat=1404,2444, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 160 THR HA 161 GLY HA3 5.05 (#SUP 4.18)
&rst
ixpk= 4, nxpk= 0, iat=2444,2459, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 15 VAL HA 44 VAL HA 5.07 (#SUP 5.82)
&rst
ixpk= 5, nxpk= 0, iat= 198, 639, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 14 VAL HA 15 VAL HA 4.99 (#SUP 7.38)
&rst
ixpk= 7, nxpk= 0, iat= 182, 198, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 15 VAL HA 46 ASN HA 4.95 (#SUP 7.97)
&rst
ixpk= 7, nxpk= 0, iat= 198, 670, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 73 THR HN 97 GLU HA 5.17 (#SUP 3.87)
&rst
ixpk= 3, nxpk= 0, iat=1080,1465, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 96 LYS HA 97 GLU HA 5.50 (#SUP 6.36)
&rst
ixpk= 6, nxpk= 0, iat=1443,1465, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 ILE HA 93 LEU HA 4.96 (#SUP 5.28)
&rst
ixpk= 5, nxpk= 0, iat= 926,1385, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 62 ILE HA 87 LEU QQD 3.93 (#SUP 4.03)
&rst
ixpk= 4, nxpk= 0, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1314,1315,1316,1310,1311,1312,
&end
#
# 125 VAL HN 162 LYS HA 5.01 (#SUP 7.49)
&rst
ixpk= 7, nxpk= 0, iat=1871,2465, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 162 LYS HA 162 LYS HG2 3.78 (#SUP 7.41)
&rst
ixpk= 7, nxpk= 0, iat=2465,2470, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 12 VAL QG1 13 ALA HA 5.50 (#SUP 4.82)
&rst
ixpk= 4, nxpk= 0, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 160, 161, 162,
&end
#
# 13 ALA HA 42 VAL HA 4.48 (#SUP 6.24)
&rst
ixpk= 6, nxpk= 0, iat= 172, 612, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 63 ILE HA 64 LEU HA 4.39 (#SUP 7.20)
&rst
ixpk= 7, nxpk= 0, iat= 945, 964, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 13 ALA HA 44 VAL HA 4.57 (#SUP 6.08)
&rst
ixpk= 6, nxpk= 0, iat= 172, 639, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 162 LYS HA 163 LYS HA 5.30 (#SUP 5.74)
&rst
ixpk= 5, nxpk= 0, iat=2465,2487, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 161 GLY HA3 162 LYS HA 5.27 (#SUP 6.02)
&rst
ixpk= 6, nxpk= 0, iat=2459,2465, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 161 GLY HA2 162 LYS HA 5.30 (#SUP 6.03)
&rst
ixpk= 6, nxpk= 0, iat=2458,2465, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 64 LEU HA 94 PHE HB2 4.75 (#SUP 6.75)
&rst
ixpk= 6, nxpk= 0, iat= 964,1406, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 64 LEU HA 94 PHE HB3 4.54 (#SUP 6.00)
&rst
ixpk= 6, nxpk= 0, iat= 964,1407, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 162 LYS HA 163 LYS HB2 4.97 (#SUP 5.38)
&rst
ixpk= 5, nxpk= 0, iat=2465,2489, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 162 LYS HA 162 LYS HG3 4.12 (#SUP 7.88)
&rst
ixpk= 7, nxpk= 0, iat=2465,2471, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 124 LEU QQD 162 LYS HA 4.71 (#SUP 6.72)
&rst
ixpk= 6, nxpk= 0, iat= -1,2465, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1865,1866,1867,1861,1862,1863,
&end
#
# 64 LEU HA 95 LEU HA 4.79 (#SUP 3.42)
&rst
ixpk= 3, nxpk= 0, iat= 964,1424, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 92 CYS HA 93 LEU HN 2.95 (#SUP 6.31)
&rst
ixpk= 6, nxpk= 0, iat=1374,1383, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 92 CYS HA 162 LYS QE 5.50 (#SUP 7.76)
&rst
ixpk= 7, nxpk= 0, iat=1374, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2476,2477,
&end
#
# 92 CYS HA 162 LYS HB2 4.53 (#SUP 7.70)
&rst
ixpk= 7, nxpk= 0, iat=1374,2467, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 92 CYS HA 162 LYS HG3 4.89 (#SUP 5.05)
&rst
ixpk= 5, nxpk= 0, iat=1374,2471, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 87 LEU QQD 92 CYS HA 4.03 (#SUP 6.82)
&rst
ixpk= 6, nxpk= 0, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1314,1315,1316,1310,1311,1312,
&end
#
# 92 CYS HA 124 LEU HG 5.13 (#SUP 1.98)
&rst
ixpk= 1, nxpk= 0, iat=1374,1859, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 92 CYS HA 162 LYS HA 3.31 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat=1374,2465, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 92 CYS HA 93 LEU HA 5.07 (#SUP 6.47)
&rst
ixpk= 6, nxpk= 0, iat=1374,1385, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 91 GLY HA3 92 CYS HA 5.13 (#SUP 4.76)
&rst
ixpk= 4, nxpk= 0, iat=1368,1374, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 91 GLY HA2 92 CYS HA 5.36 (#SUP 4.42)
&rst
ixpk= 4, nxpk= 0, iat=1367,1374, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 92 CYS HA 93 LEU HB2 4.53 (#SUP 5.73)
&rst
ixpk= 5, nxpk= 0, iat=1374,1387, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 92 CYS HA 93 LEU HB3 4.40 (#SUP 6.51)
&rst
ixpk= 6, nxpk= 0, iat=1374,1388, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 92 CYS HA 124 LEU QQD 5.46 (#SUP 2.94)
&rst
ixpk= 2, nxpk= 0, iat=1374, -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
igr2=1865,1866,1867,1861,1862,1863,
&end
#
# 16 TRP HA 66 GLY HA2 4.20 (#SUP 2.61)
&rst
ixpk= 2, nxpk= 0, iat= 214, 994, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 16 TRP HA 66 GLY HN 5.50 (#SUP 5.53)
&rst
ixpk= 5, nxpk= 0, iat= 214, 992, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 VAL HA 16 TRP HA 4.78 (#SUP 7.19)
&rst
ixpk= 7, nxpk= 0, iat= 198, 214, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 16 TRP HA 20 SER HB2 4.64 (#SUP 1.94)
&rst
ixpk= 1, nxpk= 0, iat= 214, 285, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 16 TRP HA 17 ASP HA 5.08 (#SUP 6.76)
&rst
ixpk= 6, nxpk= 0, iat= 214, 238, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 16 TRP HA 25 LEU QD2 4.66 (#SUP 8.40)
&rst
ixpk= 8, nxpk= 0, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 360, 361, 362,
&end
#
# 133 GLU HA 134 PRO HG2 4.37 (#SUP 6.86)
&rst
ixpk= 6, nxpk= 0, iat=2017,2034, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 133 GLU HA 155 LEU QD2 4.43 (#SUP 5.30)
&rst
ixpk= 5, nxpk= 0, iat=2017, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=2364,2365,2366,
&end
#
# 130 LEU HG 159 ILE HA 4.05 (#SUP 8.39)
&rst
ixpk= 8, nxpk= 0, iat=1962,2425, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 101 THR QG2 154 LEU HA 4.73 (#SUP 5.91)
&rst
ixpk= 5, nxpk= 0, iat= -1,2334, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1529,1530,1531,
&end
#
# 46 ASN HD21 47 ILE HN 5.22 (#SUP 7.70)
&rst
ixpk= 7, nxpk= 0, iat= 677, 682, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 129 GLU HG3 159 ILE HA 5.50 (#SUP 6.60)
&rst
ixpk= 6, nxpk= 0, iat=1948,2425, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 SER HA 67 LEU QD2 4.07 (#SUP 5.27)
&rst
ixpk= 5, nxpk= 0, iat= 983, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1012,1013,1014,
&end
#
# 99 VAL HA 111 THR HA 4.19 (#SUP 3.87)
&rst
ixpk= 3, nxpk= 0, iat=1494,1676, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 14 VAL HA 64 LEU HB2 4.77 (#SUP 7.10)
&rst
ixpk= 7, nxpk= 0, iat= 182, 966, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 14 VAL HA 63 ILE HA 5.40 (#SUP 5.45)
&rst
ixpk= 5, nxpk= 0, iat= 182, 945, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 74 LEU HA 75 HID HB2 4.72 (#SUP 5.35)
&rst
ixpk= 5, nxpk= 0, iat=1096,1117, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 57 GLU HG2 86 ILE HA 5.50 (#SUP 2.99)
&rst
ixpk= 2, nxpk= 0, iat= 862,1284, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 PHE QD 41 ARG HA 5.27 (#SUP 8.28)
&rst
ixpk= 8, nxpk= 0, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 142, 150,
&end
#
# 21 PRO HA 22 VAL HA 4.33 (#SUP 6.94)
&rst
ixpk= 6, nxpk= 0, iat= 302, 308, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 36 THR QG2 41 ARG HA 5.50 (#SUP 2.41)
&rst
ixpk= 2, nxpk= 0, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 535, 536, 537,
&end
#
# 41 ARG HA 42 VAL HA 4.75 (#SUP 8.15)
&rst
ixpk= 8, nxpk= 0, iat= 588, 612, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 72 THR HA 73 THR HN 3.41 (#SUP 4.70)
&rst
ixpk= 4, nxpk= 0, iat=1068,1080, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 72 THR HA 97 GLU HA 5.25 (#SUP 2.46)
&rst
ixpk= 2, nxpk= 0, iat=1068,1465, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 142 SER HB3 143 VAL HN 3.38 (#SUP 6.55)
&rst
ixpk= 6, nxpk= 0, iat=2159,2165, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 141 GLN HN 142 SER HB3 4.64 (#SUP 5.05)
&rst
ixpk= 5, nxpk= 0, iat=2137,2159, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 110 LYS HA 111 THR HN 3.55 (#SUP 5.62)
&rst
ixpk= 5, nxpk= 0, iat=1654,1674, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 155 LEU HA 156 PHE HB2 4.62 (#SUP 7.64)
&rst
ixpk= 7, nxpk= 0, iat=2353,2374, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 155 LEU HA 156 PHE HN 3.20 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat=2353,2370, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 155 LEU HA 156 PHE HA 4.47 (#SUP 7.56)
&rst
ixpk= 7, nxpk= 0, iat=2353,2372, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 134 PRO HA 155 LEU HA 4.45 (#SUP 5.43)
&rst
ixpk= 5, nxpk= 0, iat=2040,2353, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 20 SER HA 21 PRO HD2 3.82 (#SUP 4.61)
&rst
ixpk= 4, nxpk= 0, iat= 283, 293, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 155 LEU HA 155 LEU QD1 4.12 (#SUP 8.00)
&rst
ixpk= 8, nxpk= 0, iat=2353, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=2360,2361,2362,
&end
#
# 135 LEU QD2 155 LEU HA 3.48 (#SUP 9.81)
&rst
ixpk= 9, nxpk= 0, iat= -1,2353, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=2057,2058,2059,
&end
#
# 110 LYS HA 114 LYS QE 5.50 (#SUP 1.13)
&rst
ixpk= 1, nxpk= 0, iat=1654, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1722,1723,
&end
#
# 38 ASN HA 40 GLY HN 5.01 (#SUP 3.94)
&rst
ixpk= 3, nxpk= 0, iat= 552, 579, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 38 ASN HA 38 ASN QB 2.68 (#SUP 5.52)
&rst
ixpk= 5, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,
igr2= 554, 555,
&end
#
# 151 SER HA 152 ASP HA 4.39 (#SUP 6.06)
&rst
ixpk= 6, nxpk= 0, iat=2297,2308, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 151 SER HA 152 ASP HN 3.13 (#SUP 5.76)
&rst
ixpk= 5, nxpk= 0, iat=2297,2306, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 129 GLU HA 159 ILE HN 5.00 (#SUP 6.53)
&rst
ixpk= 6, nxpk= 0, iat=1942,2423, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 128 LYS HA 129 GLU HA 4.29 (#SUP 8.27)
&rst
ixpk= 8, nxpk= 0, iat=1920,1942, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 129 GLU HA 159 ILE HA 3.21 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat=1942,2425, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 30 ASP HA 33 GLN HN 3.81 (#SUP 8.74)
&rst
ixpk= 8, nxpk= 0, iat= 432, 483, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 120 THR HA 123 GLY HN 4.27 (#SUP 4.62)
&rst
ixpk= 4, nxpk= 0, iat=1803,1845, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 30 ASP HA 30 ASP HB3 3.02 (#SUP 4.54)
&rst
ixpk= 4, nxpk= 0, iat= 432, 435, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 30 ASP HA 33 GLN HB3 3.80 (#SUP 5.82)
&rst
ixpk= 5, nxpk= 0, iat= 432, 488, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 120 THR HA 127 VAL QG2 3.77 (#SUP 4.47)
&rst
ixpk= 4, nxpk= 0, iat=1803, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1912,1913,1914,
&end
#
# 17 ASP HN 17 ASP HA 2.86 (#SUP 6.30)
&rst
ixpk= 6, nxpk= 0, iat= 236, 238, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 6 ILE HA 7 SER HN 2.66 (#SUP 5.66)
&rst
ixpk= 5, nxpk= 0, iat= 72, 89, r1= 1.30, r2= 1.80, r3= 2.66, r4= 3.16, &end
#
# 30 ASP HA 33 GLN HG3 3.94 (#SUP 6.83)
&rst
ixpk= 6, nxpk= 0, iat= 432, 491, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 120 THR HA 120 THR QG2 2.92 (#SUP 4.21)
&rst
ixpk= 4, nxpk= 0, iat=1803, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2=1807,1808,1809,
&end
#
# 8 ALA HA 9 GLY HN 3.03 (#SUP 4.64)
&rst
ixpk= 4, nxpk= 0, iat= 102, 110, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 17 ASP HA 47 ILE HN 4.24 (#SUP 7.09)
&rst
ixpk= 7, nxpk= 0, iat= 238, 682, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 16 TRP HE3 17 ASP HA 4.08 (#SUP 4.91)
&rst
ixpk= 4, nxpk= 0, iat= 231, 238, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 16 TRP HZ3 17 ASP HA 5.13 (#SUP 6.33)
&rst
ixpk= 6, nxpk= 0, iat= 229, 238, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 17 ASP HA 46 ASN HD22 4.47 (#SUP 4.75)
&rst
ixpk= 4, nxpk= 0, iat= 238, 678, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 8 ALA HA 9 GLY HA2 4.46 (#SUP 4.23)
&rst
ixpk= 4, nxpk= 0, iat= 102, 112, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 8 ALA HA 40 GLY HN 4.39 (#SUP 2.61)
&rst
ixpk= 2, nxpk= 0, iat= 102, 579, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 101 THR HN 101 THR HB 3.71 (#SUP 3.90)
&rst
ixpk= 3, nxpk= 0, iat=1523,1527, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 101 THR HB 153 ASN HB3 5.34 (#SUP 3.06)
&rst
ixpk= 3, nxpk= 0, iat=1527,2323, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 120 THR HN 120 THR HB 2.91 (#SUP 5.86)
&rst
ixpk= 5, nxpk= 0, iat=1801,1805, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 36 THR HA 37 GLY HN 3.54 (#SUP 6.02)
&rst
ixpk= 6, nxpk= 0, iat= 531, 543, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 88 ARG HA 88 ARG HG2 3.34 (#SUP 7.90)
&rst
ixpk= 7, nxpk= 0, iat=1322,1327, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 36 THR HA 36 THR QG2 2.83 (#SUP 2.95)
&rst
ixpk= 2, nxpk= 0, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2= 535, 536, 537,
&end
#
# 87 LEU HA 88 ARG HA 5.07 (#SUP 7.23)
&rst
ixpk= 7, nxpk= 0, iat=1303,1322, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 121 LEU HB3 122 SER HA 4.49 (#SUP 5.80)
&rst
ixpk= 5, nxpk= 0, iat=1820,1836, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 10 GLN HA 10 GLN HE21 5.05 (#SUP 6.46)
&rst
ixpk= 6, nxpk= 0, iat= 119, 129, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 10 GLN HA 11 PHE HA 4.42 (#SUP 8.30)
&rst
ixpk= 8, nxpk= 0, iat= 119, 136, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 122 SER HA 122 SER HB3 3.00 (#SUP 3.87)
&rst
ixpk= 3, nxpk= 0, iat=1836,1839, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 88 ARG HA 89 PRO HD3 3.02 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat=1322,1346, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 10 GLN HA 11 PHE HN 3.17 (#SUP 8.82)
&rst
ixpk= 8, nxpk= 0, iat= 119, 134, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 100 GLU HA 101 THR HA 4.50 (#SUP 6.07)
&rst
ixpk= 6, nxpk= 0, iat=1510,1525, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 101 THR HA 102 ALA HA 4.81 (#SUP 3.45)
&rst
ixpk= 3, nxpk= 0, iat=1525,1539, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 137 PRO HA 140 VAL QG1 3.60 (#SUP 4.47)
&rst
ixpk= 4, nxpk= 0, iat=2087, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=2127,2128,2129,
&end
#
# 3 ASP HA 4 PHE QE 5.50 (#SUP 4.95)
&rst
ixpk= 4, nxpk= 0, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 53, 57,
&end
#
# 75 HID HA 76 SER HB2 4.69 (#SUP 5.60)
&rst
ixpk= 5, nxpk= 0, iat=1115,1134, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 75 HID HA 80 LEU QD2 4.97 (#SUP 4.09)
&rst
ixpk= 4, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1198,1199,1200,
&end
#
# 73 THR QG2 75 HID HA 4.87 (#SUP 6.62)
&rst
ixpk= 6, nxpk= 0, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=1086,1087,1088,
&end
#
# 75 HID HA 95 LEU QD2 5.50 (#SUP 3.34)
&rst
ixpk= 3, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1435,1436,1437,
&end
#
# 149 HID HA 150 GLU HA 4.67 (#SUP 6.46)
&rst
ixpk= 6, nxpk= 0, iat=2265,2282, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 23 GLU HN 24 ALA HA 5.42 (#SUP 7.07)
&rst
ixpk= 7, nxpk= 0, iat= 322, 339, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 112 ALA HN 113 SER HA 5.50 (#SUP 4.86)
&rst
ixpk= 4, nxpk= 0, iat=1688,1700, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 SER HA 121 LEU HN 4.27 (#SUP 3.34)
&rst
ixpk= 3, nxpk= 0, iat=1763,1815, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 113 SER HA 116 CYS HB2 3.37 (#SUP 3.44)
&rst
ixpk= 3, nxpk= 0, iat=1700,1754, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 139 GLU HA 139 GLU HG3 3.82 (#SUP 4.81)
&rst
ixpk= 4, nxpk= 0, iat=2108,2114, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 135 LEU QD1 139 GLU HA 4.99 (#SUP 4.86)
&rst
ixpk= 4, nxpk= 0, iat= -1,2108, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=2053,2054,2055,
&end
#
# 139 GLU HA 139 GLU HG2 3.85 (#SUP 4.71)
&rst
ixpk= 4, nxpk= 0, iat=2108,2113, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 72 THR QG2 139 GLU HA 3.64 (#SUP 3.00)
&rst
ixpk= 3, nxpk= 0, iat= -1,2108, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=1072,1073,1074,
&end
#
# 142 SER HB2 146 HID HD2 4.33 (#SUP 1.54)
&rst
ixpk= 1, nxpk= 0, iat=2158,2233, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 18 LYS HA 18 LYS HB2 2.96 (#SUP 2.15)
&rst
ixpk= 2, nxpk= 0, iat= 250, 252, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 81 ALA HA 122 SER HB3 4.25 (#SUP 3.13)
&rst
ixpk= 3, nxpk= 0, iat=1206,1839, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 81 ALA HA 85 ARG HN 4.29 (#SUP 3.45)
&rst
ixpk= 3, nxpk= 0, iat=1206,1258, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 114 LYS HA 114 LYS QD 3.08 (#SUP 5.10)
&rst
ixpk= 5, nxpk= 0, iat=1711, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2=1719,1720,
&end
#
# 50 LEU HA 53 SER HB3 4.88 (#SUP 3.10)
&rst
ixpk= 3, nxpk= 0, iat= 742, 800, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 103 VAL HA 104 ASP HA 4.41 (#SUP 4.54)
&rst
ixpk= 4, nxpk= 0, iat=1549,1565, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 48 LYS HA 48 LYS QE 4.71 (#SUP 5.83)
&rst
ixpk= 5, nxpk= 0, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 714, 715,
&end
#
# 53 SER HN 53 SER HA 2.91 (#SUP 6.07)
&rst
ixpk= 6, nxpk= 0, iat= 795, 797, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 52 GLN HA 54 ALA HN 3.74 (#SUP 4.70)
&rst
ixpk= 4, nxpk= 0, iat= 780, 806, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 78 GLU HA 78 GLU HG2 3.08 (#SUP 6.02)
&rst
ixpk= 6, nxpk= 0, iat=1153,1158, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 109 VAL HA 109 VAL QG2 3.57 (#SUP 5.59)
&rst
ixpk= 5, nxpk= 0, iat=1638, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1646,1647,1648,
&end
#
# 141 GLN HA 145 GLU HN 4.26 (#SUP 3.44)
&rst
ixpk= 3, nxpk= 0, iat=2139,2205, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 141 GLN HA 141 GLN QB 2.89 (#SUP 5.40)
&rst
ixpk= 5, nxpk= 0, iat=2139, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2=2141,2142,
&end
#
# 168 VAL HA 168 VAL QQG 3.45 (#SUP 5.45)
&rst
ixpk= 5, nxpk= 0, iat=2572, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=2576,2577,2578,2580,2581,2582,
&end
#
# 67 LEU HA 96 LYS QE 5.50 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1454,1455,
&end
#
# 115 LEU HA 118 ALA HN 3.98 (#SUP 2.93)
&rst
ixpk= 2, nxpk= 0, iat=1733,1772, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 23 GLU HA 23 GLU QB 2.75 (#SUP 5.49)
&rst
ixpk= 5, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,
igr2= 326, 327,
&end
#
# 23 GLU HA 26 LYS QB 3.96 (#SUP 4.99)
&rst
ixpk= 4, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 370, 371,
&end
#
# 103 VAL QG1 107 SER HB2 4.01 (#SUP 4.38)
&rst
ixpk= 4, nxpk= 0, iat= -1,1607, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=1553,1554,1555,
&end
#
# 77 ALA HA 80 LEU QD1 3.65 (#SUP 4.85)
&rst
ixpk= 4, nxpk= 0, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1194,1195,1196,
&end
#
# 77 ALA HA 80 LEU QD2 5.14 (#SUP 3.99)
&rst
ixpk= 3, nxpk= 0, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1198,1199,1200,
&end
#
# 85 ARG HA 85 ARG QD 4.83 (#SUP 6.01)
&rst
ixpk= 6, nxpk= 0, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1268,1269,
&end
#
# 33 GLN HA 33 GLN HE21 5.36 (#SUP 5.82)
&rst
ixpk= 5, nxpk= 0, iat= 485, 495, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 33 GLN HA 33 GLN HG2 3.89 (#SUP 6.95)
&rst
ixpk= 6, nxpk= 0, iat= 485, 490, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 72 THR HB 73 THR HN 4.51 (#SUP 4.56)
&rst
ixpk= 4, nxpk= 0, iat=1070,1080, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 72 THR HB 143 VAL QG1 3.77 (#SUP 4.97)
&rst
ixpk= 4, nxpk= 0, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=2171,2172,2173,
&end
#
# 72 THR HB 156 PHE QD 5.50 (#SUP 4.32)
&rst
ixpk= 4, nxpk= 0, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2378,2386,
&end
#
# 144 ARG HA 149 HID HB2 4.84 (#SUP 4.25)
&rst
ixpk= 4, nxpk= 0, iat=2183,2267, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 72 THR HB 143 VAL QG2 4.48 (#SUP 2.94)
&rst
ixpk= 2, nxpk= 0, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=2175,2176,2177,
&end
#
# 144 ARG HA 144 ARG QD 4.09 (#SUP 8.39)
&rst
ixpk= 8, nxpk= 0, iat=2183, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=2191,2192,
&end
#
# 2 ALA HA 4 PHE HN 4.56 (#SUP 5.26)
&rst
ixpk= 5, nxpk= 0, iat= 23, 43, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 99 VAL HB 112 ALA HA 3.98 (#SUP 5.31)
&rst
ixpk= 5, nxpk= 0, iat=1496,1690, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 79 ILE HA 82 GLU HN 3.71 (#SUP 4.07)
&rst
ixpk= 4, nxpk= 0, iat=1168,1214, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 79 ILE HA 79 ILE QG2 3.50 (#SUP 7.48)
&rst
ixpk= 7, nxpk= 0, iat=1168, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1172,1173,1174,
&end
#
# 75 HID HD2 80 LEU HA 5.38 (#SUP 3.50)
&rst
ixpk= 3, nxpk= 0, iat=1126,1187, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 107 SER HB3 108 LYS HN 3.66 (#SUP 6.57)
&rst
ixpk= 6, nxpk= 0, iat=1608,1614, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 114 LYS HA 117 SER HB3 3.66 (#SUP 3.87)
&rst
ixpk= 3, nxpk= 0, iat=1711,1766, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 107 SER HB3 108 LYS QE 5.02 (#SUP 5.01)
&rst
ixpk= 5, nxpk= 0, iat=1608, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1627,1628,
&end
#
# 145 GLU HA 147 LEU HN 4.43 (#SUP 5.26)
&rst
ixpk= 5, nxpk= 0, iat=2207,2237, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 57 GLU HA 86 ILE HA 3.08 (#SUP 4.30)
&rst
ixpk= 4, nxpk= 0, iat= 857,1284, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 113 SER HA 113 SER HB3 2.80 (#SUP 4.47)
&rst
ixpk= 4, nxpk= 0, iat=1700,1703, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 116 CYS HA 127 VAL QG1 3.31 (#SUP 2.96)
&rst
ixpk= 2, nxpk= 0, iat=1752, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1908,1909,1910,
&end
#
# 119 LEU HA 119 LEU HG 3.19 (#SUP 5.70)
&rst
ixpk= 5, nxpk= 0, iat=1784,1789, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 116 CYS HA 127 VAL QG2 4.13 (#SUP 2.00)
&rst
ixpk= 2, nxpk= 0, iat=1752, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1912,1913,1914,
&end
#
# 119 LEU HA 119 LEU QD1 3.22 (#SUP 6.82)
&rst
ixpk= 6, nxpk= 0, iat=1784, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1791,1792,1793,
&end
#
# 111 THR HB 113 SER HB2 5.50 (#SUP 3.62)
&rst
ixpk= 3, nxpk= 0, iat=1678,1702, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 SER HA 88 ARG HN 4.60 (#SUP 4.65)
&rst
ixpk= 4, nxpk= 0, iat= 872,1320, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 25 LEU HA 29 VAL HN 4.78 (#SUP 5.01)
&rst
ixpk= 5, nxpk= 0, iat= 349, 414, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 24 ALA HN 25 LEU HA 5.01 (#SUP 7.55)
&rst
ixpk= 7, nxpk= 0, iat= 337, 349, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 25 LEU HA 25 LEU QD1 4.09 (#SUP 7.89)
&rst
ixpk= 7, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 356, 357, 358,
&end
#
# 84 ALA HA 87 LEU HB2 3.56 (#SUP 3.13)
&rst
ixpk= 3, nxpk= 0, iat=1250,1305, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 25 LEU HA 25 LEU QD2 3.19 (#SUP 7.19)
&rst
ixpk= 7, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 360, 361, 362,
&end
#
# 19 SER HA 72 THR HN 4.54 (#SUP 3.37)
&rst
ixpk= 3, nxpk= 0, iat= 272,1066, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 95 LEU HN 160 THR HB 4.62 (#SUP 5.18)
&rst
ixpk= 5, nxpk= 0, iat=1422,2446, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 160 THR HN 160 THR HB 4.14 (#SUP 4.95)
&rst
ixpk= 4, nxpk= 0, iat=2442,2446, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 66 GLY HA2 68 VAL HN 4.91 (#SUP 3.80)
&rst
ixpk= 3, nxpk= 0, iat= 994,1018, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 66 GLY HA2 67 LEU HN 3.39 (#SUP 5.53)
&rst
ixpk= 5, nxpk= 0, iat= 994, 999, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 94 PHE QE 160 THR HB 3.82 (#SUP 4.65)
&rst
ixpk= 4, nxpk= 0, iat= -1,2446, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1412,1416,
&end
#
# 94 PHE QD 160 THR HB 3.56 (#SUP 5.09)
&rst
ixpk= 5, nxpk= 0, iat= -1,2446, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1410,1418,
&end
#
# 130 LEU QD2 160 THR HB 3.60 (#SUP 3.35)
&rst
ixpk= 3, nxpk= 0, iat= -1,2446, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1968,1969,1970,
&end
#
# 53 SER HB2 55 HID HD2 4.95 (#SUP 4.27)
&rst
ixpk= 4, nxpk= 0, iat= 799, 829, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 94 PHE HB2 160 THR HB 5.50 (#SUP 2.34)
&rst
ixpk= 2, nxpk= 0, iat=1406,2446, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 LEU QQD 91 GLY HA2 3.41 (#SUP 7.11)
&rst
ixpk= 7, nxpk= 0, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1314,1315,1316,1310,1311,1312,
&end
#
# 88 ARG HN 91 GLY HA3 4.86 (#SUP 5.57)
&rst
ixpk= 5, nxpk= 0, iat=1320,1368, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 61 ASP HB2 91 GLY HA3 5.03 (#SUP 1.11)
&rst
ixpk= 1, nxpk= 0, iat= 916,1368, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 88 ARG HB2 91 GLY HA3 3.81 (#SUP 2.59)
&rst
ixpk= 2, nxpk= 0, iat=1324,1368, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 62 ILE HG13 91 GLY HA2 4.92 (#SUP 2.81)
&rst
ixpk= 2, nxpk= 0, iat= 935,1367, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 4 PHE HN 5 GLY HA2 4.75 (#SUP 5.91)
&rst
ixpk= 5, nxpk= 0, iat= 43, 65, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 25 LEU QD1 26 LYS HA 4.82 (#SUP 8.05)
&rst
ixpk= 8, nxpk= 0, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 356, 357, 358,
&end
#
# 26 LYS HA 29 VAL HN 3.77 (#SUP 7.17)
&rst
ixpk= 7, nxpk= 0, iat= 368, 414, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 26 LYS HA 29 VAL HB 4.70 (#SUP 4.31)
&rst
ixpk= 4, nxpk= 0, iat= 368, 418, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 26 LYS HA 26 LYS HG2 3.76 (#SUP 6.86)
&rst
ixpk= 6, nxpk= 0, iat= 368, 373, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 26 LYS HA 26 LYS HG3 3.67 (#SUP 7.03)
&rst
ixpk= 7, nxpk= 0, iat= 368, 374, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 26 LYS HA 29 VAL QG1 3.87 (#SUP 5.57)
&rst
ixpk= 5, nxpk= 0, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 420, 421, 422,
&end
#
# 25 LEU QD2 26 LYS HA 4.59 (#SUP 7.83)
&rst
ixpk= 7, nxpk= 0, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 360, 361, 362,
&end
#
# 80 LEU QD1 122 SER HB3 5.01 (#SUP 6.68)
&rst
ixpk= 6, nxpk= 0, iat= -1,1839, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=1194,1195,1196,
&end
#
# 7 SER HA 7 SER QB 2.77 (#SUP 4.93)
&rst
ixpk= 4, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr2= 93, 94,
&end
#
# 7 SER QB 10 GLN HE22 4.74 (#SUP 5.66)
&rst
ixpk= 5, nxpk= 0, iat= -1, 130, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 93, 94,
&end
#
# 68 VAL HA 68 VAL QG2 3.40 (#SUP 6.87)
&rst
ixpk= 6, nxpk= 0, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=1028,1029,1030,
&end
#
# 68 VAL HA 69 PRO HD3 3.61 (#SUP 8.37)
&rst
ixpk= 8, nxpk= 0, iat=1020,1036, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 126 GLU HN 126 GLU HA 2.91 (#SUP 9.79)
&rst
ixpk= 9, nxpk= 0, iat=1887,1889, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 126 GLU HA 127 VAL QG2 4.52 (#SUP 9.21)
&rst
ixpk= 9, nxpk= 0, iat=1889, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1912,1913,1914,
&end
#
# 65 SER HB2 96 LYS HN 3.90 (#SUP 6.08)
&rst
ixpk= 6, nxpk= 0, iat= 985,1441, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 84 ALA QB 123 GLY HA3 3.38 (#SUP 2.73)
&rst
ixpk= 2, nxpk= 0, iat= -1,1848, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1=1252,1253,1254,
&end
#
# 90 GLY HA2 162 LYS HG2 3.49 (#SUP 2.84)
&rst
ixpk= 2, nxpk= 0, iat=1360,2470, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 70 GLY HN 71 SER HB3 4.83 (#SUP 3.58)
&rst
ixpk= 3, nxpk= 0, iat=1048,1060, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 13 ALA HA 43 SER HB3 3.99 (#SUP 7.64)
&rst
ixpk= 7, nxpk= 0, iat= 172, 631, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 68 VAL QG2 71 SER HB3 3.74 (#SUP 3.99)
&rst
ixpk= 3, nxpk= 0, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1028,1029,1030,
&end
#
# 13 ALA QB 43 SER HB3 3.99 (#SUP 7.65)
&rst
ixpk= 7, nxpk= 0, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 174, 175, 176,
&end
#
# 71 SER HB3 96 LYS QG 4.64 (#SUP 2.00)
&rst
ixpk= 2, nxpk= 0, iat=1060, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1448,1449,
&end
#
# 68 VAL HN 71 SER HB3 4.46 (#SUP 2.96)
&rst
ixpk= 2, nxpk= 0, iat=1018,1060, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 73 THR HN 73 THR HB 3.59 (#SUP 4.86)
&rst
ixpk= 4, nxpk= 0, iat=1080,1084, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 143 VAL HA 146 HID HB2 5.17 (#SUP 5.19)
&rst
ixpk= 5, nxpk= 0, iat=2167,2224, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 72 THR QG2 143 VAL HA 4.46 (#SUP 3.24)
&rst
ixpk= 3, nxpk= 0, iat= -1,2167, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=1072,1073,1074,
&end
#
# 143 VAL HA 143 VAL QG2 3.46 (#SUP 4.46)
&rst
ixpk= 4, nxpk= 0, iat=2167, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=2175,2176,2177,
&end
#
# 143 VAL HA 143 VAL QG1 3.38 (#SUP 5.22)
&rst
ixpk= 5, nxpk= 0, iat=2167, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=2171,2172,2173,
&end
#
# 21 PRO HB2 22 VAL HA 5.32 (#SUP 8.37)
&rst
ixpk= 8, nxpk= 0, iat= 299, 308, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 22 VAL HA 26 LYS QB 4.90 (#SUP 6.93)
&rst
ixpk= 6, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 370, 371,
&end
#
# 22 VAL HA 25 LEU HN 3.64 (#SUP 7.69)
&rst
ixpk= 7, nxpk= 0, iat= 308, 347, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 22 VAL HA 24 ALA HN 4.46 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= 308, 337, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 22 VAL HA 23 GLU QG 5.44 (#SUP 7.83)
&rst
ixpk= 7, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 329, 330,
&end
#
# 22 VAL HA 22 VAL HB 2.99 (#SUP 6.43)
&rst
ixpk= 6, nxpk= 0, iat= 308, 310, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 22 VAL HA 25 LEU HB2 3.55 (#SUP 7.59)
&rst
ixpk= 7, nxpk= 0, iat= 308, 351, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 22 VAL HA 25 LEU HG 4.24 (#SUP 5.27)
&rst
ixpk= 5, nxpk= 0, iat= 308, 354, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 22 VAL HA 22 VAL QG2 3.09 (#SUP 5.69)
&rst
ixpk= 5, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2= 316, 317, 318,
&end
#
# 22 VAL HA 22 VAL QG1 3.30 (#SUP 6.15)
&rst
ixpk= 6, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 312, 313, 314,
&end
#
# 22 VAL HA 25 LEU QD1 3.64 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 356, 357, 358,
&end
#
# 160 THR HA 161 GLY HA2 5.08 (#SUP 4.02)
&rst
ixpk= 4, nxpk= 0, iat=2444,2458, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 11 PHE HB2 60 PHE HA 3.50 (#SUP 4.18)
&rst
ixpk= 4, nxpk= 0, iat= 138, 894, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 124 LEU HB2 161 GLY HA3 4.47 (#SUP 4.97)
&rst
ixpk= 4, nxpk= 0, iat=1856,2459, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 124 LEU QQD 161 GLY HA2 5.50 (#SUP 6.00)
&rst
ixpk= 6, nxpk= 0, iat= -1,2458, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1865,1866,1867,1861,1862,1863,
&end
#
# 151 SER HN 151 SER HB3 3.72 (#SUP 5.79)
&rst
ixpk= 5, nxpk= 0, iat=2295,2300, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 82 GLU HN 83 ILE HA 5.35 (#SUP 6.92)
&rst
ixpk= 6, nxpk= 0, iat=1214,1231, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 149 HID HD2 151 SER HB3 4.55 (#SUP 2.24)
&rst
ixpk= 2, nxpk= 0, iat=2276,2300, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 140 VAL HA 143 VAL HB 4.50 (#SUP 3.75)
&rst
ixpk= 3, nxpk= 0, iat=2123,2169, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 63 ILE HG13 83 ILE HA 3.86 (#SUP 2.01)
&rst
ixpk= 2, nxpk= 0, iat= 954,1231, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 83 ILE HA 86 ILE HG13 3.91 (#SUP 5.84)
&rst
ixpk= 5, nxpk= 0, iat=1231,1293, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 140 VAL HA 140 VAL QG1 3.18 (#SUP 5.28)
&rst
ixpk= 5, nxpk= 0, iat=2123, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=2127,2128,2129,
&end
#
# 68 VAL QG1 69 PRO HD3 3.21 (#SUP 6.56)
&rst
ixpk= 6, nxpk= 0, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1=1024,1025,1026,
&end
#
# 151 SER HB3 154 LEU HG 3.35 (#SUP 8.37)
&rst
ixpk= 8, nxpk= 0, iat=2300,2339, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 83 ILE HA 83 ILE QG2 3.59 (#SUP 6.52)
&rst
ixpk= 6, nxpk= 0, iat=1231, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1235,1236,1237,
&end
#
# 151 SER HB3 154 LEU QQD 3.33 (#SUP 7.70)
&rst
ixpk= 7, nxpk= 0, iat=2300, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2345,2346,2347,2341,2342,2343,
&end
#
# 63 ILE QG2 83 ILE HA 4.18 (#SUP 6.00)
&rst
ixpk= 6, nxpk= 0, iat= -1,1231, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 949, 950, 951,
&end
#
# 135 LEU QD1 140 VAL HA 3.49 (#SUP 6.45)
&rst
ixpk= 6, nxpk= 0, iat= -1,2123, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1=2053,2054,2055,
&end
#
# 29 VAL HA 32 LEU HN 3.83 (#SUP 6.78)
&rst
ixpk= 6, nxpk= 0, iat= 416, 464, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 29 VAL HA 31 LYS HN 5.14 (#SUP 7.70)
&rst
ixpk= 7, nxpk= 0, iat= 416, 442, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 29 VAL HA 33 GLN HG2 5.01 (#SUP 6.22)
&rst
ixpk= 6, nxpk= 0, iat= 416, 490, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 29 VAL HA 32 LEU HB3 4.25 (#SUP 4.46)
&rst
ixpk= 4, nxpk= 0, iat= 416, 469, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 29 VAL HA 29 VAL QG1 3.20 (#SUP 5.08)
&rst
ixpk= 5, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 420, 421, 422,
&end
#
# 29 VAL HA 32 LEU QQD 3.46 (#SUP 7.55)
&rst
ixpk= 7, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 477, 478, 479, 473, 474, 475,
&end
#
# 19 SER QB 71 SER HA 4.61 (#SUP 1.63)
&rst
ixpk= 1, nxpk= 0, iat= -1,1057, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 274, 275,
&end
#
# 141 GLN HA 144 ARG QD 3.99 (#SUP 4.22)
&rst
ixpk= 4, nxpk= 0, iat=2139, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=2191,2192,
&end
#
# 141 GLN QB 144 ARG QD 4.86 (#SUP 3.64)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=2141,2142,
igr2=2191,2192,
&end
#
# 144 ARG HB2 144 ARG QD 3.68 (#SUP 8.18)
&rst
ixpk= 8, nxpk= 0, iat=2185, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=2191,2192,
&end
#
# 140 VAL QG2 144 ARG QD 4.87 (#SUP 1.53)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=2131,2132,2133,
igr2=2191,2192,
&end
#
# 18 LYS HG2 18 LYS QE 3.77 (#SUP 4.10)
&rst
ixpk= 4, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 261, 262,
&end
#
# 142 SER HA 146 HID HB2 5.01 (#SUP 5.05)
&rst
ixpk= 5, nxpk= 0, iat=2156,2224, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 132 ARG HN 132 ARG HD2 5.41 (#SUP 8.57)
&rst
ixpk= 8, nxpk= 0, iat=1991,2001, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 60 PHE HA 88 ARG HD2 3.50 (#SUP 1.47)
&rst
ixpk= 1, nxpk= 0, iat= 894,1330, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 134 PRO HA 156 PHE HB2 5.30 (#SUP 6.02)
&rst
ixpk= 6, nxpk= 0, iat=2040,2374, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 96 LYS HB3 96 LYS QE 4.50 (#SUP 3.28)
&rst
ixpk= 3, nxpk= 0, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1454,1455,
&end
#
# 96 LYS QE 133 GLU HB3 4.68 (#SUP 2.69)
&rst
ixpk= 2, nxpk= 0, iat= -1,2020, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1454,1455,
&end
#
# 75 HID HB2 80 LEU QD1 4.27 (#SUP 6.82)
&rst
ixpk= 6, nxpk= 0, iat=1117, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1194,1195,1196,
&end
#
# 75 HID HB2 79 ILE QG2 4.69 (#SUP 8.53)
&rst
ixpk= 8, nxpk= 0, iat=1117, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1172,1173,1174,
&end
#
# 108 LYS HN 108 LYS QE 4.56 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1627,1628,
&end
#
# 114 LYS QE 117 SER HB3 5.29 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat= -1,1766, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1722,1723,
&end
#
# 108 LYS HB2 108 LYS QE 4.14 (#SUP 5.47)
&rst
ixpk= 5, nxpk= 0, iat=1618, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1627,1628,
&end
#
# 108 LYS QG 108 LYS QE 3.33 (#SUP 7.20)
&rst
ixpk= 7, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1621,1622,
igr2=1627,1628,
&end
#
# 114 LYS HA 114 LYS QE 4.44 (#SUP 5.50)
&rst
ixpk= 5, nxpk= 0, iat=1711, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1722,1723,
&end
#
# 56 LYS QD 56 LYS QE 3.01 (#SUP 4.50)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 843, 844,
igr2= 846, 847,
&end
#
# 114 LYS QB 114 LYS QE 4.75 (#SUP 3.93)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1713,1714,
igr2=1722,1723,
&end
#
# 153 ASN HB2 154 LEU HA 5.27 (#SUP 7.32)
&rst
ixpk= 7, nxpk= 0, iat=2322,2334, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 48 LYS QD 48 LYS QE 2.92 (#SUP 5.23)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 711, 712,
igr2= 714, 715,
&end
#
# 48 LYS HG3 48 LYS QE 3.36 (#SUP 4.64)
&rst
ixpk= 4, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 714, 715,
&end
#
# 31 LYS QE 32 LEU HG 5.21 (#SUP 4.47)
&rst
ixpk= 4, nxpk= 0, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 455, 456,
&end
#
# 48 LYS HN 48 LYS QE 5.03 (#SUP 7.86)
&rst
ixpk= 7, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2= 714, 715,
&end
#
# 59 SER HB3 60 PHE QE 5.34 (#SUP 4.95)
&rst
ixpk= 4, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 902, 906,
&end
#
# 46 ASN HD22 48 LYS QE 5.45 (#SUP 3.03)
&rst
ixpk= 3, nxpk= 0, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 714, 715,
&end
#
# 31 LYS HA 31 LYS QE 5.50 (#SUP 5.44)
&rst
ixpk= 5, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 455, 456,
&end
#
# 31 LYS QD 31 LYS QE 2.97 (#SUP 5.67)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1= 452, 453,
igr2= 455, 456,
&end
#
# 31 LYS HN 31 LYS QE 5.29 (#SUP 9.34)
&rst
ixpk= 9, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 455, 456,
&end
#
# 166 PHE HA 166 PHE HB3 3.01 (#SUP 4.42)
&rst
ixpk= 4, nxpk= 0, iat=2537,2540, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 31 LYS HB3 31 LYS QE 3.94 (#SUP 5.20)
&rst
ixpk= 5, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 455, 456,
&end
#
# 11 PHE HN 61 ASP HB2 4.40 (#SUP 8.55)
&rst
ixpk= 8, nxpk= 0, iat= 134, 916, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 133 GLU HB2 156 PHE HB3 4.75 (#SUP 4.80)
&rst
ixpk= 4, nxpk= 0, iat=2019,2375, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 12 VAL QG1 61 ASP HB2 5.42 (#SUP 2.46)
&rst
ixpk= 2, nxpk= 0, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 160, 161, 162,
&end
#
# 106 ASN HB2 106 ASN HD21 4.08 (#SUP 4.00)
&rst
ixpk= 4, nxpk= 0, iat=1593,1598, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 135 LEU QD2 156 PHE HB3 5.20 (#SUP 5.85)
&rst
ixpk= 5, nxpk= 0, iat= -1,2375, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=2057,2058,2059,
&end
#
# 98 PRO HA 156 PHE HB3 5.50 (#SUP 1.44)
&rst
ixpk= 1, nxpk= 0, iat=1488,2375, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 CYS HB3 127 VAL QG1 3.74 (#SUP 1.50)
&rst
ixpk= 1, nxpk= 0, iat=1755, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1908,1909,1910,
&end
#
# 26 LYS HG2 26 LYS QE 4.00 (#SUP 3.43)
&rst
ixpk= 3, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 379, 380,
&end
#
# 128 LYS HG3 128 LYS HE3 4.18 (#SUP 4.50)
&rst
ixpk= 4, nxpk= 0, iat=1926,1932, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 162 LYS HG3 162 LYS QE 3.64 (#SUP 8.37)
&rst
ixpk= 8, nxpk= 0, iat=2471, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2=2476,2477,
&end
#
# 162 LYS HN 162 LYS QE 5.16 (#SUP 8.54)
&rst
ixpk= 8, nxpk= 0, iat=2463, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=2476,2477,
&end
#
# 162 LYS HA 162 LYS QE 4.89 (#SUP 8.56)
&rst
ixpk= 8, nxpk= 0, iat=2465, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=2476,2477,
&end
#
# 38 ASN QB 39 GLU HA 4.79 (#SUP 8.11)
&rst
ixpk= 8, nxpk= 0, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 554, 555,
&end
#
# 37 GLY HA2 38 ASN QB 5.08 (#SUP 5.61)
&rst
ixpk= 5, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 554, 555,
&end
#
# 162 LYS HB3 162 LYS QE 3.68 (#SUP 9.21)
&rst
ixpk= 9, nxpk= 0, iat=2468, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=2476,2477,
&end
#
# 105 ASN QB 105 ASN HD22 3.77 (#SUP 4.03)
&rst
ixpk= 4, nxpk= 0, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1579,1580,
&end
#
# 164 PRO HA 165 ASN HB2 4.77 (#SUP 6.34)
&rst
ixpk= 6, nxpk= 0, iat=2517,2525, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 104 ASP HB3 105 ASN HN 4.70 (#SUP 4.30)
&rst
ixpk= 4, nxpk= 0, iat=1568,1575, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 104 ASP HB3 105 ASN HA 4.86 (#SUP 3.63)
&rst
ixpk= 3, nxpk= 0, iat=1568,1577, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 148 GLY HN 149 HID HB2 5.07 (#SUP 6.14)
&rst
ixpk= 6, nxpk= 0, iat=2256,2267, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 147 LEU QD2 149 HID HB2 5.13 (#SUP 3.40)
&rst
ixpk= 3, nxpk= 0, iat= -1,2267, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=2250,2251,2252,
&end
#
# 27 GLY QA 30 ASP HB3 4.09 (#SUP 5.67)
&rst
ixpk= 5, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 390, 391,
&end
#
# 75 HID HB3 80 LEU HG 4.35 (#SUP 5.03)
&rst
ixpk= 5, nxpk= 0, iat=1118,1192, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 152 ASP HB3 153 ASN HD22 5.07 (#SUP 5.54)
&rst
ixpk= 5, nxpk= 0, iat=2311,2328, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 21 PRO HB2 23 GLU HN 4.52 (#SUP 9.15)
&rst
ixpk= 9, nxpk= 0, iat= 299, 322, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 141 GLN QG 143 VAL HN 5.39 (#SUP 6.37)
&rst
ixpk= 6, nxpk= 0, iat= -1,2165, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2144,2145,
&end
#
# 96 LYS HA 97 GLU HB3 4.92 (#SUP 7.02)
&rst
ixpk= 7, nxpk= 0, iat=1443,1468, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 97 GLU HB3 98 PRO HD2 4.00 (#SUP 6.66)
&rst
ixpk= 6, nxpk= 0, iat=1468,1479, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 136 THR QG2 139 GLU HG2 4.99 (#SUP 4.46)
&rst
ixpk= 4, nxpk= 0, iat= -1,2113, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=2069,2070,2071,
&end
#
# 97 GLU HB3 115 LEU QD2 3.73 (#SUP 4.93)
&rst
ixpk= 4, nxpk= 0, iat=1468, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1744,1745,1746,
&end
#
# 95 LEU QD2 97 GLU HB3 4.72 (#SUP 3.05)
&rst
ixpk= 3, nxpk= 0, iat= -1,1468, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1435,1436,1437,
&end
#
# 89 PRO HB3 166 PHE HN 4.23 (#SUP 3.30)
&rst
ixpk= 3, nxpk= 0, iat=1352,2535, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 62 ILE HG12 92 CYS HB3 5.44 (#SUP 3.87)
&rst
ixpk= 3, nxpk= 0, iat= 934,1377, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 72 THR QG2 139 GLU HG2 4.97 (#SUP 3.00)
&rst
ixpk= 3, nxpk= 0, iat= -1,2113, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1072,1073,1074,
&end
#
# 60 PHE HB3 87 LEU QQD 4.29 (#SUP 5.72)
&rst
ixpk= 5, nxpk= 0, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1314,1315,1316,1310,1311,1312,
&end
#
# 92 CYS HN 92 CYS HB3 3.98 (#SUP 4.92)
&rst
ixpk= 4, nxpk= 0, iat=1372,1377, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 62 ILE QG2 92 CYS HB3 4.45 (#SUP 6.28)
&rst
ixpk= 6, nxpk= 0, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 930, 931, 932,
&end
#
# 52 GLN QG 53 SER HN 4.47 (#SUP 6.59)
&rst
ixpk= 6, nxpk= 0, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 785, 786,
&end
#
# 125 VAL HB 126 GLU HN 3.01 (#SUP 7.19)
&rst
ixpk= 7, nxpk= 0, iat=1875,1887, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 49 GLN HA 52 GLN QG 3.81 (#SUP 3.83)
&rst
ixpk= 3, nxpk= 0, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 785, 786,
&end
#
# 125 VAL HB 126 GLU HA 4.25 (#SUP 7.45)
&rst
ixpk= 7, nxpk= 0, iat=1875,1889, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 134 PRO HB2 135 LEU HN 3.82 (#SUP 6.62)
&rst
ixpk= 6, nxpk= 0, iat=2037,2044, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 125 VAL HB 127 VAL QG2 5.50 (#SUP 4.35)
&rst
ixpk= 4, nxpk= 0, iat=1875, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1912,1913,1914,
&end
#
# 142 SER HN 143 VAL HB 5.11 (#SUP 4.80)
&rst
ixpk= 4, nxpk= 0, iat=2154,2169, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 143 VAL HB 149 HID HB2 5.04 (#SUP 3.67)
&rst
ixpk= 3, nxpk= 0, iat=2169,2267, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 10 GLN HB2 36 THR QG2 4.64 (#SUP 2.85)
&rst
ixpk= 2, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 535, 536, 537,
&end
#
# 15 VAL HB 65 SER HA 3.69 (#SUP 6.98)
&rst
ixpk= 6, nxpk= 0, iat= 200, 983, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 15 VAL HB 65 SER HB3 4.32 (#SUP 5.91)
&rst
ixpk= 5, nxpk= 0, iat= 200, 986, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 48 LYS HN 49 GLN HG2 5.39 (#SUP 7.02)
&rst
ixpk= 7, nxpk= 0, iat= 701, 730, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 59 SER HN 86 ILE HB 4.96 (#SUP 7.14)
&rst
ixpk= 7, nxpk= 0, iat= 881,1286, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 49 GLN HN 49 GLN HG2 4.13 (#SUP 8.23)
&rst
ixpk= 8, nxpk= 0, iat= 723, 730, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 23 GLU HN 23 GLU QG 3.34 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 329, 330,
&end
#
# 86 ILE HA 86 ILE HB 2.73 (#SUP 7.03)
&rst
ixpk= 7, nxpk= 0, iat=1284,1286, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23, &end
#
# 23 GLU HA 23 GLU QG 3.04 (#SUP 7.06)
&rst
ixpk= 7, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2= 329, 330,
&end
#
# 38 ASN QB 39 GLU HG2 4.28 (#SUP 6.61)
&rst
ixpk= 6, nxpk= 0, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 554, 555,
&end
#
# 21 PRO HG2 24 ALA QB 4.16 (#SUP 7.22)
&rst
ixpk= 7, nxpk= 0, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 341, 342, 343,
&end
#
# 9 GLY HN 39 GLU HB2 4.56 (#SUP 6.61)
&rst
ixpk= 6, nxpk= 0, iat= 110, 568, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 70 GLY HA2 133 GLU QG 5.04 (#SUP 1.91)
&rst
ixpk= 1, nxpk= 0, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=2022,2023,
&end
#
# 133 GLU HN 133 GLU QG 3.85 (#SUP 8.18)
&rst
ixpk= 8, nxpk= 0, iat=2015, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=2022,2023,
&end
#
# 133 GLU QG 156 PHE HB2 4.43 (#SUP 7.06)
&rst
ixpk= 7, nxpk= 0, iat= -1,2374, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=2022,2023,
&end
#
# 133 GLU QG 156 PHE HB3 5.20 (#SUP 6.29)
&rst
ixpk= 6, nxpk= 0, iat= -1,2375, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=2022,2023,
&end
#
# 133 GLU HB3 133 GLU QG 2.74 (#SUP 4.38)
&rst
ixpk= 4, nxpk= 0, iat=2020, -1, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,
igr2=2022,2023,
&end
#
# 133 GLU HA 133 GLU QG 3.45 (#SUP 8.10)
&rst
ixpk= 8, nxpk= 0, iat=2017, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=2022,2023,
&end
#
# 133 GLU QG 134 PRO QD 4.07 (#SUP 7.49)
&rst
ixpk= 7, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=2022,2023,
igr2=2031,2032,
&end
#
# 136 THR HB 137 PRO HG2 4.55 (#SUP 4.96)
&rst
ixpk= 4, nxpk= 0, iat=2067,2081, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 69 PRO HB2 70 GLY HN 4.16 (#SUP 4.81)
&rst
ixpk= 4, nxpk= 0, iat=1041,1048, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 33 GLN HB2 33 GLN HE21 4.81 (#SUP 6.37)
&rst
ixpk= 6, nxpk= 0, iat= 487, 495, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 33 GLN HN 33 GLN HB2 3.43 (#SUP 9.54)
&rst
ixpk= 9, nxpk= 0, iat= 483, 487, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 141 GLN QB 142 SER HN 3.59 (#SUP 7.83)
&rst
ixpk= 7, nxpk= 0, iat= -1,2154, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=2141,2142,
&end
#
# 96 LYS QE 133 GLU HB2 4.74 (#SUP 2.79)
&rst
ixpk= 2, nxpk= 0, iat= -1,2019, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1454,1455,
&end
#
# 129 GLU HG2 130 LEU HN 4.50 (#SUP 9.60)
&rst
ixpk= 9, nxpk= 0, iat=1947,1955, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 131 GLN QG 158 GLN HE22 4.85 (#SUP 1.97)
&rst
ixpk= 1, nxpk= 0, iat= -1,2419, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1981,1982,
&end
#
# 131 GLN QG 157 VAL HA 5.18 (#SUP 5.08)
&rst
ixpk= 5, nxpk= 0, iat= -1,2392, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1981,1982,
&end
#
# 100 GLU HA 100 GLU HG2 3.25 (#SUP 5.80)
&rst
ixpk= 5, nxpk= 0, iat=1510,1515, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 129 GLU HA 129 GLU HG2 4.10 (#SUP 6.00)
&rst
ixpk= 6, nxpk= 0, iat=1942,1947, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 124 LEU QQD 163 LYS HB2 5.21 (#SUP 3.88)
&rst
ixpk= 3, nxpk= 0, iat= -1,2489, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1=1865,1866,1867,1861,1862,1863,
&end
#
# 46 ASN HB2 49 GLN HN 3.88 (#SUP 7.13)
&rst
ixpk= 7, nxpk= 0, iat= 672, 723, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 126 GLU QG 162 LYS QE 4.56 (#SUP 6.00)
&rst
ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1894,1895,
igr2=2476,2477,
&end
#
# 126 GLU HN 126 GLU QG 3.23 (#SUP 7.81)
&rst
ixpk= 7, nxpk= 0, iat=1887, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2=1894,1895,
&end
#
# 25 LEU QD2 44 VAL HB 5.50 (#SUP 2.00)
&rst
ixpk= 2, nxpk= 0, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 360, 361, 362,
&end
#
# 10 GLN HG2 61 ASP HB2 5.01 (#SUP 6.07)
&rst
ixpk= 6, nxpk= 0, iat= 124, 916, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 144 ARG QD 150 GLU HG2 4.83 (#SUP 5.29)
&rst
ixpk= 5, nxpk= 0, iat= -1,2287, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=2191,2192,
&end
#
# 3 ASP HB3 4 PHE HB2 5.40 (#SUP 6.42)
&rst
ixpk= 6, nxpk= 0, iat= 36, 47, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 78 GLU HB2 79 ILE HN 4.73 (#SUP 6.01)
&rst
ixpk= 6, nxpk= 0, iat=1155,1166, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 133 GLU HB3 156 PHE QD 5.14 (#SUP 4.34)
&rst
ixpk= 4, nxpk= 0, iat=2020, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2=2378,2386,
&end
#
# 125 VAL QG2 164 PRO QG 3.66 (#SUP 7.68)
&rst
ixpk= 7, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=1881,1882,1883,
igr2=2511,2512,
&end
#
# 13 ALA QB 45 GLU HG2 5.38 (#SUP 3.96)
&rst
ixpk= 3, nxpk= 0, iat= -1, 660, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 174, 175, 176,
&end
#
# 158 GLN HA 158 GLN HG3 4.01 (#SUP 8.35)
&rst
ixpk= 8, nxpk= 0, iat=2408,2414, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 130 LEU QD2 158 GLN HG3 4.67 (#SUP 8.07)
&rst
ixpk= 8, nxpk= 0, iat= -1,2414, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1968,1969,1970,
&end
#
# 42 VAL HN 42 VAL HB 3.48 (#SUP 8.11)
&rst
ixpk= 8, nxpk= 0, iat= 610, 614, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 135 LEU HB2 156 PHE QD 5.50 (#SUP 5.78)
&rst
ixpk= 5, nxpk= 0, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2378,2386,
&end
#
# 158 GLN HB3 158 GLN HE22 4.54 (#SUP 6.63)
&rst
ixpk= 6, nxpk= 0, iat=2411,2419, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 130 LEU QD2 158 GLN HB3 4.94 (#SUP 6.02)
&rst
ixpk= 6, nxpk= 0, iat= -1,2411, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1968,1969,1970,
&end
#
# 96 LYS HA 158 GLN HB3 5.20 (#SUP 3.33)
&rst
ixpk= 3, nxpk= 0, iat=1443,2411, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 126 GLU HB3 162 LYS QE 5.50 (#SUP 2.91)
&rst
ixpk= 2, nxpk= 0, iat=1892, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2476,2477,
&end
#
# 129 GLU HG3 130 LEU HN 3.95 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat=1948,1955, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 14 VAL HB 44 VAL HA 3.70 (#SUP 7.82)
&rst
ixpk= 7, nxpk= 0, iat= 184, 639, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 13 ALA QB 14 VAL HB 5.50 (#SUP 5.90)
&rst
ixpk= 5, nxpk= 0, iat= -1, 184, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 174, 175, 176,
&end
#
# 64 LEU HN 64 LEU HB2 3.67 (#SUP 8.22)
&rst
ixpk= 8, nxpk= 0, iat= 962, 966, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 64 LEU HB2 67 LEU QD2 4.22 (#SUP 4.45)
&rst
ixpk= 4, nxpk= 0, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1012,1013,1014,
&end
#
# 135 LEU HA 139 GLU HB3 4.93 (#SUP 4.09)
&rst
ixpk= 4, nxpk= 0, iat=2046,2111, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 61 ASP HN 62 ILE HB 5.26 (#SUP 7.07)
&rst
ixpk= 7, nxpk= 0, iat= 912, 928, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 62 ILE HN 62 ILE HB 3.60 (#SUP 8.84)
&rst
ixpk= 8, nxpk= 0, iat= 924, 928, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 48 LYS HA 48 LYS HB2 2.81 (#SUP 5.81)
&rst
ixpk= 5, nxpk= 0, iat= 703, 705, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end
#
# 12 VAL HN 62 ILE HB 5.42 (#SUP 2.95)
&rst
ixpk= 2, nxpk= 0, iat= 154, 928, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 48 LYS HN 48 LYS HB2 3.62 (#SUP 7.61)
&rst
ixpk= 7, nxpk= 0, iat= 701, 705, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 79 ILE QG2 80 LEU HG 5.37 (#SUP 5.32)
&rst
ixpk= 5, nxpk= 0, iat= -1,1192, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=1172,1173,1174,
&end
#
# 109 VAL HN 109 VAL HB 3.95 (#SUP 6.20)
&rst
ixpk= 6, nxpk= 0, iat=1636,1640, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 109 VAL HB 110 LYS HN 4.30 (#SUP 6.72)
&rst
ixpk= 6, nxpk= 0, iat=1640,1652, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 120 THR HB 121 LEU HG 4.61 (#SUP 4.36)
&rst
ixpk= 4, nxpk= 0, iat=1805,1822, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 132 ARG HA 132 ARG HG2 4.11 (#SUP 8.58)
&rst
ixpk= 8, nxpk= 0, iat=1993,1998, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 108 LYS QD 108 LYS QE 2.83 (#SUP 5.22)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr1=1624,1625,
igr2=1627,1628,
&end
#
# 56 LYS QB 59 SER HB2 5.50 (#SUP 2.40)
&rst
ixpk= 2, nxpk= 0, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 837, 838,
&end
#
# 48 LYS HN 48 LYS QD 4.54 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 711, 712,
&end
#
# 46 ASN HD22 48 LYS QD 5.38 (#SUP 4.12)
&rst
ixpk= 4, nxpk= 0, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 711, 712,
&end
#
# 130 LEU HN 130 LEU HG 3.94 (#SUP 9.95)
&rst
ixpk= 9, nxpk= 0, iat=1955,1962, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 74 LEU HB2 75 HID HA 5.12 (#SUP 7.49)
&rst
ixpk= 7, nxpk= 0, iat=1098,1115, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 144 ARG HN 144 ARG HG2 4.41 (#SUP 9.47)
&rst
ixpk= 9, nxpk= 0, iat=2181,2188, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 10 GLN HE21 62 ILE HG12 5.50 (#SUP 2.02)
&rst
ixpk= 2, nxpk= 0, iat= 129, 934, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 LEU HN 51 LEU HB3 3.87 (#SUP 5.80)
&rst
ixpk= 5, nxpk= 0, iat= 759, 764, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 130 LEU HB2 131 GLN HN 4.14 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat=1959,1974, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 94 PHE QD 130 LEU HB2 4.80 (#SUP 2.53)
&rst
ixpk= 2, nxpk= 0, iat= -1,1959, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1410,1418,
&end
#
# 61 ASP HN 88 ARG HG3 4.82 (#SUP 4.31)
&rst
ixpk= 4, nxpk= 0, iat= 912,1328, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 17 ASP HB3 47 ILE HB 4.28 (#SUP 4.31)
&rst
ixpk= 4, nxpk= 0, iat= 241, 686, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 17 ASP HB2 47 ILE HB 4.68 (#SUP 5.27)
&rst
ixpk= 5, nxpk= 0, iat= 240, 686, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 29 VAL HN 31 LYS QG 4.56 (#SUP 4.62)
&rst
ixpk= 4, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 449, 450,
&end
#
# 48 LYS HN 48 LYS HG2 4.00 (#SUP 9.23)
&rst
ixpk= 9, nxpk= 0, iat= 701, 708, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 24 ALA QB 25 LEU HA 5.00 (#SUP 6.33)
&rst
ixpk= 6, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 341, 342, 343,
&end
#
# 118 ALA QB 119 LEU HN 3.43 (#SUP 5.96)
&rst
ixpk= 5, nxpk= 0, iat= -1,1782, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1=1776,1777,1778,
&end
#
# 77 ALA QB 81 ALA HN 4.79 (#SUP 2.07)
&rst
ixpk= 2, nxpk= 0, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1145,1146,1147,
&end
#
# 26 LYS HN 26 LYS HG2 5.29 (#SUP 7.11)
&rst
ixpk= 7, nxpk= 0, iat= 366, 373, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 136 THR HN 136 THR QG2 3.43 (#SUP 7.35)
&rst
ixpk= 7, nxpk= 0, iat=2063, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=2069,2070,2071,
&end
#
# 115 LEU HG 116 CYS HN 4.57 (#SUP 8.25)
&rst
ixpk= 8, nxpk= 0, iat=1738,1750, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 159 ILE HA 159 ILE HG12 3.86 (#SUP 6.38)
&rst
ixpk= 6, nxpk= 0, iat=2425,2433, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 93 LEU HB2 94 PHE HN 4.83 (#SUP 7.62)
&rst
ixpk= 7, nxpk= 0, iat=1387,1402, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 102 ALA HN 102 ALA QB 3.25 (#SUP 5.47)
&rst
ixpk= 5, nxpk= 0, iat=1537, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2=1541,1542,1543,
&end
#
# 101 THR HN 102 ALA QB 4.34 (#SUP 4.19)
&rst
ixpk= 4, nxpk= 0, iat=1523, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1541,1542,1543,
&end
#
# 102 ALA QB 103 VAL HN 3.68 (#SUP 4.77)
&rst
ixpk= 4, nxpk= 0, iat= -1,1547, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=1541,1542,1543,
&end
#
# 102 ALA QB 153 ASN HD22 4.68 (#SUP 3.87)
&rst
ixpk= 3, nxpk= 0, iat= -1,2328, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1541,1542,1543,
&end
#
# 47 ILE HG12 75 HID HD2 5.30 (#SUP 1.50)
&rst
ixpk= 1, nxpk= 0, iat= 692,1126, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 8 ALA QB 9 GLY HA2 5.38 (#SUP 4.56)
&rst
ixpk= 4, nxpk= 0, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 104, 105, 106,
&end
#
# 72 THR QG2 139 GLU HB2 5.49 (#SUP 3.00)
&rst
ixpk= 3, nxpk= 0, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1072,1073,1074,
&end
#
# 72 THR QG2 143 VAL QG1 3.46 (#SUP 8.40)
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1072,1073,1074,
igr2=2171,2172,2173,
&end
#
# 72 THR QG2 135 LEU QD1 4.49 (#SUP 1.56)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1072,1073,1074,
igr2=2053,2054,2055,
&end
#
# 154 LEU HA 155 LEU HB3 4.68 (#SUP 6.33)
&rst
ixpk= 6, nxpk= 0, iat=2334,2356, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 112 ALA HA 115 LEU HB3 4.14 (#SUP 1.50)
&rst
ixpk= 1, nxpk= 0, iat=1690,1736, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 155 LEU HB3 155 LEU QD1 3.56 (#SUP 5.50)
&rst
ixpk= 5, nxpk= 0, iat=2356, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=2360,2361,2362,
&end
#
# 120 THR QG2 125 VAL HA 4.37 (#SUP 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1873, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1807,1808,1809,
&end
#
# 120 THR QG2 121 LEU HA 4.24 (#SUP 6.73)
&rst
ixpk= 6, nxpk= 0, iat= -1,1817, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1807,1808,1809,
&end
#
# 41 ARG HG2 42 VAL HN 3.75 (#SUP 7.51)
&rst
ixpk= 7, nxpk= 0, iat= 593, 610, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 11 PHE HA 41 ARG QB 3.84 (#SUP 8.77)
&rst
ixpk= 8, nxpk= 0, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 590, 591,
&end
#
# 35 LEU HN 35 LEU HB3 3.73 (#SUP 8.26)
&rst
ixpk= 8, nxpk= 0, iat= 510, 515, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 162 LYS HG2 163 LYS HN 4.50 (#SUP 7.04)
&rst
ixpk= 7, nxpk= 0, iat=2470,2485, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 111 THR QG2 112 ALA HN 4.06 (#SUP 5.73)
&rst
ixpk= 5, nxpk= 0, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1680,1681,1682,
&end
#
# 111 THR HN 111 THR QG2 4.04 (#SUP 4.26)
&rst
ixpk= 4, nxpk= 0, iat=1674, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1680,1681,1682,
&end
#
# 2 ALA QB 3 ASP HA 4.92 (#SUP 5.03)
&rst
ixpk= 5, nxpk= 0, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 25, 26, 27,
&end
#
# 104 ASP HB3 111 THR QG2 5.16 (#SUP 3.37)
&rst
ixpk= 3, nxpk= 0, iat=1568, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=1680,1681,1682,
&end
#
# 2 ALA QB 4 PHE HN 5.21 (#SUP 3.99)
&rst
ixpk= 3, nxpk= 0, iat= -1, 43, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 25, 26, 27,
&end
#
# 95 LEU HB2 96 LYS HN 4.00 (#SUP 6.76)
&rst
ixpk= 6, nxpk= 0, iat=1426,1441, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 9 GLY HN 36 THR QG2 4.36 (#SUP 4.17)
&rst
ixpk= 4, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 535, 536, 537,
&end
#
# 11 PHE HA 36 THR QG2 5.50 (#SUP 4.47)
&rst
ixpk= 4, nxpk= 0, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 535, 536, 537,
&end
#
# 9 GLY HA2 36 THR QG2 5.50 (#SUP 1.83)
&rst
ixpk= 1, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 535, 536, 537,
&end
#
# 12 VAL HB 36 THR QG2 4.45 (#SUP 2.91)
&rst
ixpk= 2, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 535, 536, 537,
&end
#
# 101 THR QG2 102 ALA HN 4.83 (#SUP 6.35)
&rst
ixpk= 6, nxpk= 0, iat= -1,1537, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1529,1530,1531,
&end
#
# 100 GLU HA 101 THR QG2 4.63 (#SUP 5.03)
&rst
ixpk= 5, nxpk= 0, iat=1510, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1529,1530,1531,
&end
#
# 101 THR HA 101 THR QG2 3.21 (#SUP 4.74)
&rst
ixpk= 4, nxpk= 0, iat=1525, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1529,1530,1531,
&end
#
# 65 SER HN 95 LEU HB3 4.71 (#SUP 6.20)
&rst
ixpk= 6, nxpk= 0, iat= 981,1427, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 93 LEU QD1 95 LEU HG 3.76 (#SUP 4.22)
&rst
ixpk= 4, nxpk= 0, iat= -1,1429, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1392,1393,1394,
&end
#
# 53 SER HN 54 ALA QB 4.51 (#SUP 7.19)
&rst
ixpk= 7, nxpk= 0, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 810, 811, 812,
&end
#
# 65 SER HB2 95 LEU HB3 3.38 (#SUP 6.16)
&rst
ixpk= 6, nxpk= 0, iat= 985,1427, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 94 PHE QE 160 THR QG2 4.36 (#SUP 4.97)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1412,1416,
igr2=2448,2449,2450,
&end
#
# 94 PHE HA 160 THR QG2 5.09 (#SUP 4.44)
&rst
ixpk= 4, nxpk= 0, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=2448,2449,2450,
&end
#
# 128 LYS HA 160 THR QG2 5.50 (#SUP 2.95)
&rst
ixpk= 2, nxpk= 0, iat=1920, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2448,2449,2450,
&end
#
# 128 LYS HE2 160 THR QG2 4.49 (#SUP 3.00)
&rst
ixpk= 3, nxpk= 0, iat=1931, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2448,2449,2450,
&end
#
# 130 LEU QD1 160 THR QG2 3.64 (#SUP 4.14)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1964,1965,1966,
igr2=2448,2449,2450,
&end
#
# 159 ILE HA 160 THR QG2 4.37 (#SUP 7.78)
&rst
ixpk= 7, nxpk= 0, iat=2425, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=2448,2449,2450,
&end
#
# 130 LEU HN 130 LEU QD2 4.40 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat=1955, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1968,1969,1970,
&end
#
# 130 LEU QD2 131 GLN HN 4.79 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= -1,1974, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1968,1969,1970,
&end
#
# 94 PHE HA 130 LEU QD2 4.77 (#SUP 2.34)
&rst
ixpk= 2, nxpk= 0, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=1968,1969,1970,
&end
#
# 130 LEU HA 130 LEU QD2 4.21 (#SUP 8.05)
&rst
ixpk= 8, nxpk= 0, iat=1957, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1968,1969,1970,
&end
#
# 93 LEU HB3 94 PHE HN 4.44 (#SUP 8.08)
&rst
ixpk= 8, nxpk= 0, iat=1388,1402, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 130 LEU QD2 158 GLN HE22 5.43 (#SUP 3.52)
&rst
ixpk= 3, nxpk= 0, iat= -1,2419, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=1968,1969,1970,
&end
#
# 143 VAL QG2 149 HID HB2 3.69 (#SUP 7.34)
&rst
ixpk= 7, nxpk= 0, iat= -1,2267, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=2175,2176,2177,
&end
#
# 143 VAL QG2 147 LEU HB3 4.40 (#SUP 2.50)
&rst
ixpk= 2, nxpk= 0, iat= -1,2242, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=2175,2176,2177,
&end
#
# 62 ILE QG2 63 ILE HA 5.03 (#SUP 6.89)
&rst
ixpk= 6, nxpk= 0, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 930, 931, 932,
&end
#
# 143 VAL QG2 144 ARG HA 4.55 (#SUP 6.09)
&rst
ixpk= 6, nxpk= 0, iat= -1,2183, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=2175,2176,2177,
&end
#
# 62 ILE QG2 92 CYS HN 4.21 (#SUP 6.76)
&rst
ixpk= 6, nxpk= 0, iat= -1,1372, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 930, 931, 932,
&end
#
# 93 LEU HB3 161 GLY HN 4.68 (#SUP 5.92)
&rst
ixpk= 5, nxpk= 0, iat=1388,2456, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 4 PHE QD 62 ILE QG2 5.15 (#SUP 2.22)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 51, 59,
igr2= 930, 931, 932,
&end
#
# 10 GLN HE22 62 ILE QG2 4.74 (#SUP 3.65)
&rst
ixpk= 3, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 930, 931, 932,
&end
#
# 10 GLN HE21 62 ILE QG2 4.43 (#SUP 3.25)
&rst
ixpk= 3, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 930, 931, 932,
&end
#
# 62 ILE HA 62 ILE QG2 3.97 (#SUP 6.52)
&rst
ixpk= 6, nxpk= 0, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 930, 931, 932,
&end
#
# 5 GLY HA3 62 ILE QG2 5.28 (#SUP 1.75)
&rst
ixpk= 1, nxpk= 0, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 930, 931, 932,
&end
#
# 61 ASP HB2 62 ILE QG2 5.22 (#SUP 6.22)
&rst
ixpk= 6, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2= 930, 931, 932,
&end
#
# 62 ILE QG2 92 CYS HB2 3.92 (#SUP 6.71)
&rst
ixpk= 6, nxpk= 0, iat= -1,1376, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 930, 931, 932,
&end
#
# 62 ILE QG2 62 ILE HG13 3.37 (#SUP 5.34)
&rst
ixpk= 5, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 930, 931, 932,
&end
#
# 135 LEU HA 135 LEU HG 4.20 (#SUP 6.25)
&rst
ixpk= 6, nxpk= 0, iat=2046,2051, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 136 THR HN 140 VAL QG1 5.09 (#SUP 8.87)
&rst
ixpk= 8, nxpk= 0, iat=2063, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=2127,2128,2129,
&end
#
# 130 LEU HN 159 ILE HG13 5.37 (#SUP 4.00)
&rst
ixpk= 4, nxpk= 0, iat=1955,2434, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 79 ILE QG2 95 LEU QD2 5.23 (#SUP 1.87)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
igr1=1172,1173,1174,
igr2=1435,1436,1437,
&end
#
# 79 ILE QG2 82 GLU HN 5.50 (#SUP 4.53)
&rst
ixpk= 4, nxpk= 0, iat= -1,1214, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1172,1173,1174,
&end
#
# 135 LEU QD1 143 VAL QG1 3.50 (#SUP 0.70)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2053,2054,2055,
igr2=2171,2172,2173,
&end
#
# 99 VAL HN 157 VAL QQG 5.19 (#SUP 2.67)
&rst
ixpk= 2, nxpk= 0, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2=2396,2397,2398,2400,2401,2402,
&end
#
# 68 VAL HN 68 VAL QG1 3.68 (#SUP 6.18)
&rst
ixpk= 6, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1024,1025,1026,
&end
#
# 12 VAL HN 12 VAL QG2 4.08 (#SUP 6.25)
&rst
ixpk= 6, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 164, 165, 166,
&end
#
# 156 PHE QD 157 VAL QQG 4.54 (#SUP 5.63)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1=2378,2386,
igr2=2396,2397,2398,2400,2401,2402,
&end
#
# 132 ARG HA 157 VAL QQG 3.40 (#SUP 3.62)
&rst
ixpk= 3, nxpk= 0, iat=1993, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=2396,2397,2398,2400,2401,2402,
&end
#
# 12 VAL QG2 63 ILE HA 5.01 (#SUP 4.74)
&rst
ixpk= 4, nxpk= 0, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 164, 165, 166,
&end
#
# 12 VAL QG2 36 THR QG2 4.05 (#SUP 2.90)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 164, 165, 166,
igr2= 535, 536, 537,
&end
#
# 125 VAL HA 125 VAL QG1 2.78 (#SUP 5.70)
&rst
ixpk= 5, nxpk= 0, iat=1873, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2=1877,1878,1879,
&end
#
# 15 VAL QG1 47 ILE HG12 3.78 (#SUP 3.94)
&rst
ixpk= 3, nxpk= 0, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 202, 203, 204,
&end
#
# 15 VAL HA 15 VAL QG1 3.69 (#SUP 6.45)
&rst
ixpk= 6, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 202, 203, 204,
&end
#
# 127 VAL HA 127 VAL QG1 3.43 (#SUP 6.09)
&rst
ixpk= 6, nxpk= 0, iat=1904, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1908,1909,1910,
&end
#
# 130 LEU HN 130 LEU QD1 4.47 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat=1955, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1964,1965,1966,
&end
#
# 44 VAL QQG 45 GLU HA 3.79 (#SUP 6.14)
&rst
ixpk= 6, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 643, 644, 645, 647, 648, 649,
&end
#
# 16 TRP HB3 44 VAL QQG 4.99 (#SUP 1.60)
&rst
ixpk= 1, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 643, 644, 645, 647, 648, 649,
&end
#
# 51 LEU HN 51 LEU QD1 3.84 (#SUP 6.78)
&rst
ixpk= 6, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 768, 769, 770,
&end
#
# 121 LEU HA 121 LEU QQD 2.83 (#SUP 6.89)
&rst
ixpk= 6, nxpk= 0, iat=1817, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1828,1829,1830,1824,1825,1826,
&end
#
# 79 ILE QD1 80 LEU HN 5.21 (#SUP 8.51)
&rst
ixpk= 8, nxpk= 0, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1=1179,1180,1181,
&end
#
# 86 ILE QG2 87 LEU HN 4.18 (#SUP 8.05)
&rst
ixpk= 8, nxpk= 0, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1288,1289,1290,
&end
#
# 51 LEU HA 51 LEU QD1 3.36 (#SUP 6.35)
&rst
ixpk= 6, nxpk= 0, iat= 761, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 768, 769, 770,
&end
#
# 143 VAL QG2 147 LEU QD2 3.45 (#SUP 3.68)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=2175,2176,2177,
igr2=2250,2251,2252,
&end
#
# 147 LEU HB2 147 LEU QD2 3.72 (#SUP 5.32)
&rst
ixpk= 5, nxpk= 0, iat=2241, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=2250,2251,2252,
&end
#
# 29 VAL HN 29 VAL QG2 4.07 (#SUP 8.11)
&rst
ixpk= 8, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 424, 425, 426,
&end
#
# 6 ILE HN 6 ILE QG2 3.80 (#SUP 8.09)
&rst
ixpk= 8, nxpk= 0, iat= 70, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 76, 77, 78,
&end
#
# 35 LEU HA 35 LEU QQD 3.37 (#SUP 5.36)
&rst
ixpk= 5, nxpk= 0, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 523, 524, 525, 519, 520, 521,
&end
#
# 134 PRO HA 155 LEU QD2 3.29 (#SUP 8.55)
&rst
ixpk= 8, nxpk= 0, iat=2040, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=2364,2365,2366,
&end
#
# 4 PHE HN 6 ILE QD1 4.06 (#SUP 5.97)
&rst
ixpk= 5, nxpk= 0, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 83, 84, 85,
&end
#
# 63 ILE QG2 83 ILE QG2 3.35 (#SUP 5.60)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 949, 950, 951,
igr2=1235,1236,1237,
&end
#
# 95 LEU QD2 115 LEU QD1 4.11 (#SUP 4.37)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1435,1436,1437,
igr2=1740,1741,1742,
&end
#
# 32 LEU HN 32 LEU QQD 3.70 (#SUP 8.07)
&rst
ixpk= 8, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 477, 478, 479, 473, 474, 475,
&end
#
# 13 ALA HA 42 VAL QQG 4.38 (#SUP 5.09)
&rst
ixpk= 5, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 616, 617, 618, 620, 621, 622,
&end
#
# 42 VAL QQG 44 VAL HN 5.16 (#SUP 3.05)
&rst
ixpk= 3, nxpk= 0, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1= 616, 617, 618, 620, 621, 622,
&end
#
# 128 LYS HN 159 ILE QG2 4.25 (#SUP 5.02)
&rst
ixpk= 5, nxpk= 0, iat=1918, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=2429,2430,2431,
&end
#
# 158 GLN HA 159 ILE QD1 3.96 (#SUP 8.50)
&rst
ixpk= 8, nxpk= 0, iat=2408, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=2436,2437,2438,
&end
#
# 33 GLN HG2 42 VAL QQG 4.14 (#SUP 8.30)
&rst
ixpk= 8, nxpk= 0, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 616, 617, 618, 620, 621, 622,
&end
#
# 20 SER HA 68 VAL QG2 4.92 (#SUP 3.85)
&rst
ixpk= 3, nxpk= 0, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2=1028,1029,1030,
&end
#
# 28 LEU HA 32 LEU QQD 4.04 (#SUP 4.10)
&rst
ixpk= 4, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 477, 478, 479, 473, 474, 475,
&end
#
# 109 VAL HA 109 VAL QG1 3.48 (#SUP 5.68)
&rst
ixpk= 5, nxpk= 0, iat=1638, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1642,1643,1644,
&end
#
# 109 VAL QG1 110 LYS HN 4.31 (#SUP 7.07)
&rst
ixpk= 7, nxpk= 0, iat= -1,1652, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1642,1643,1644,
&end
#
# 155 LEU QD1 156 PHE HN 5.40 (#SUP 8.35)
&rst
ixpk= 8, nxpk= 0, iat= -1,2370, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2360,2361,2362,
&end
#
# 132 ARG HA 155 LEU QD1 4.63 (#SUP 4.91)
&rst
ixpk= 4, nxpk= 0, iat=1993, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=2360,2361,2362,
&end
#
# 93 LEU QD1 94 PHE HN 3.58 (#SUP 9.37)
&rst
ixpk= 9, nxpk= 0, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1392,1393,1394,
&end
#
# 115 LEU HN 115 LEU QD2 3.99 (#SUP 7.92)
&rst
ixpk= 7, nxpk= 0, iat=1731, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1744,1745,1746,
&end
#
# 119 LEU QD2 120 THR HN 5.04 (#SUP 6.88)
&rst
ixpk= 6, nxpk= 0, iat= -1,1801, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1795,1796,1797,
&end
#
# 115 LEU QD2 119 LEU HN 3.62 (#SUP 3.87)
&rst
ixpk= 3, nxpk= 0, iat= -1,1782, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1=1744,1745,1746,
&end
#
# 67 LEU QD2 95 LEU HA 4.96 (#SUP 3.02)
&rst
ixpk= 3, nxpk= 0, iat= -1,1424, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=1012,1013,1014,
&end
#
# 93 LEU HA 93 LEU QD1 3.57 (#SUP 6.79)
&rst
ixpk= 6, nxpk= 0, iat=1385, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1392,1393,1394,
&end
#
# 95 LEU QD1 115 LEU QD2 3.52 (#SUP 4.51)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1431,1432,1433,
igr2=1744,1745,1746,
&end
#
# 17 ASP HN 47 ILE QD1 4.64 (#SUP 3.37)
&rst
ixpk= 3, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 695, 696, 697,
&end
#
# 115 LEU QD2 117 SER HN 5.50 (#SUP 6.86)
&rst
ixpk= 6, nxpk= 0, iat= -1,1761, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1744,1745,1746,
&end
#
# 99 VAL HA 99 VAL QQG 3.28 (#SUP 4.24)
&rst
ixpk= 4, nxpk= 0, iat=1494, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1498,1499,1500,1502,1503,1504,
&end
#
# 115 LEU HB2 115 LEU QD2 3.48 (#SUP 7.28)
&rst
ixpk= 7, nxpk= 0, iat=1735, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1744,1745,1746,
&end
#
# 47 ILE HN 47 ILE QD1 4.11 (#SUP 7.23)
&rst
ixpk= 7, nxpk= 0, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 695, 696, 697,
&end
#
# 99 VAL QQG 112 ALA HA 3.35 (#SUP 3.87)
&rst
ixpk= 3, nxpk= 0, iat= -1,1690, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1498,1499,1500,1502,1503,1504,
&end
#
# 79 ILE QG2 83 ILE QD1 3.28 (#SUP 5.16)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1172,1173,1174,
igr2=1242,1243,1244,
&end
#
# 14 VAL QQG 25 LEU QD1 4.96 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,
igr1= 186, 187, 188, 190, 191, 192,
igr2= 356, 357, 358,
&end
#
# 83 ILE HN 83 ILE HG12 3.42 (#SUP 7.30)
&rst
ixpk= 7, nxpk= 0, iat=1229,1239, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 14 VAL QQG 16 TRP HB3 5.40 (#SUP 2.58)
&rst
ixpk= 2, nxpk= 0, iat= -1, 217, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 186, 187, 188, 190, 191, 192,
&end
#
# 125 VAL HA 125 VAL QG2 3.42 (#SUP 6.09)
&rst
ixpk= 6, nxpk= 0, iat=1873, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1881,1882,1883,
&end
#
# 14 VAL HA 14 VAL QQG 3.44 (#SUP 6.46)
&rst
ixpk= 6, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 186, 187, 188, 190, 191, 192,
&end
#
# 67 LEU HA 67 LEU HG 4.22 (#SUP 4.68)
&rst
ixpk= 4, nxpk= 0, iat=1001,1006, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 125 VAL QG2 162 LYS QE 5.50 (#SUP 5.29)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1881,1882,1883,
igr2=2476,2477,
&end
#
# 67 LEU HG 94 PHE HB3 3.72 (#SUP 1.68)
&rst
ixpk= 1, nxpk= 0, iat=1006,1407, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 15 VAL HN 15 VAL QG2 3.37 (#SUP 5.23)
&rst
ixpk= 5, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 206, 207, 208,
&end
#
# 12 VAL HA 63 ILE QD1 5.01 (#SUP 6.81)
&rst
ixpk= 6, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 956, 957, 958,
&end
#
# 67 LEU HG 94 PHE HB2 3.98 (#SUP 3.91)
&rst
ixpk= 3, nxpk= 0, iat=1006,1406, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 99 VAL QQG 112 ALA QB 3.25 (#SUP 3.86)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1498,1499,1500,1502,1503,1504,
igr2=1692,1693,1694,
&end
#
# 63 ILE QD1 86 ILE HG13 3.56 (#SUP 3.24)
&rst
ixpk= 3, nxpk= 0, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 956, 957, 958,
&end
#
# 15 VAL HA 15 VAL QG2 3.62 (#SUP 6.45)
&rst
ixpk= 6, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 206, 207, 208,
&end
#
# 15 VAL QG2 65 SER HB3 4.16 (#SUP 6.41)
&rst
ixpk= 6, nxpk= 0, iat= -1, 986, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 206, 207, 208,
&end
#
# 60 PHE HB2 63 ILE QD1 4.53 (#SUP 4.70)
&rst
ixpk= 4, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 956, 957, 958,
&end
#
# 55 HID HN 86 ILE QD1 4.82 (#SUP 4.58)
&rst
ixpk= 4, nxpk= 0, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1295,1296,1297,
&end
#
# 154 LEU HA 154 LEU QQD 3.36 (#SUP 6.40)
&rst
ixpk= 6, nxpk= 0, iat=2334, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=2345,2346,2347,2341,2342,2343,
&end
#
# 150 GLU HA 154 LEU QQD 4.92 (#SUP 5.88)
&rst
ixpk= 5, nxpk= 0, iat=2282, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2=2345,2346,2347,2341,2342,2343,
&end
#
# 55 HID HB2 86 ILE QD1 4.89 (#SUP 5.85)
&rst
ixpk= 5, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1295,1296,1297,
&end
#
# 63 ILE HG13 86 ILE QD1 3.61 (#SUP 2.60)
&rst
ixpk= 2, nxpk= 0, iat= 954, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1295,1296,1297,
&end
#
# 154 LEU HB3 154 LEU QQD 3.67 (#SUP 5.47)
&rst
ixpk= 5, nxpk= 0, iat=2337, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=2345,2346,2347,2341,2342,2343,
&end
#
# 125 VAL HA 127 VAL QG2 3.91 (#SUP 5.50)
&rst
ixpk= 5, nxpk= 0, iat=1873, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1912,1913,1914,
&end
#
# 87 LEU HN 87 LEU QQD 3.78 (#SUP 7.18)
&rst
ixpk= 7, nxpk= 0, iat=1301, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1314,1315,1316,1310,1311,1312,
&end
#
# 60 PHE QD 87 LEU QQD 5.10 (#SUP 5.97)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
igr1= 900, 908,
igr2=1314,1315,1316,1310,1311,1312,
&end
#
# 61 ASP HA 87 LEU QQD 4.39 (#SUP 4.91)
&rst
ixpk= 4, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=1314,1315,1316,1310,1311,1312,
&end
#
# 87 LEU HA 87 LEU QQD 3.27 (#SUP 6.71)
&rst
ixpk= 6, nxpk= 0, iat=1303, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1314,1315,1316,1310,1311,1312,
&end
#
# 87 LEU QQD 163 LYS HB2 4.50 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat= -1,2489, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1314,1315,1316,1310,1311,1312,
&end
#
# 87 LEU HB2 87 LEU QQD 3.34 (#SUP 5.91)
&rst
ixpk= 5, nxpk= 0, iat=1305, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1314,1315,1316,1310,1311,1312,
&end
#
# 93 LEU HA 93 LEU QD2 4.10 (#SUP 6.62)
&rst
ixpk= 6, nxpk= 0, iat=1385, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1396,1397,1398,
&end
#
# 76 SER HA 80 LEU QD1 5.50 (#SUP 2.67)
&rst
ixpk= 2, nxpk= 0, iat=1132, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1194,1195,1196,
&end
#
# 80 LEU QD1 118 ALA HA 4.69 (#SUP 3.25)
&rst
ixpk= 3, nxpk= 0, iat= -1,1774, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1194,1195,1196,
&end
#
# 75 HID HB3 80 LEU QD1 4.40 (#SUP 6.20)
&rst
ixpk= 6, nxpk= 0, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1194,1195,1196,
&end
#
# 80 LEU QD1 118 ALA QB 3.26 (#SUP 3.56)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1194,1195,1196,
igr2=1776,1777,1778,
&end
#
# 93 LEU QD2 95 LEU HN 5.50 (#SUP 8.16)
&rst
ixpk= 8, nxpk= 0, iat= -1,1422, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1396,1397,1398,
&end
#
# 119 LEU QD1 120 THR HN 4.50 (#SUP 7.00)
&rst
ixpk= 7, nxpk= 0, iat= -1,1801, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1791,1792,1793,
&end
#
# 119 LEU QD1 124 LEU HN 5.50 (#SUP 3.46)
&rst
ixpk= 3, nxpk= 0, iat= -1,1852, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1791,1792,1793,
&end
#
# 95 LEU QD1 119 LEU QD1 4.22 (#SUP 2.80)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1431,1432,1433,
igr2=1791,1792,1793,
&end
#
# 15 VAL HA 63 ILE QG2 5.50 (#SUP 1.11)
&rst
ixpk= 1, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 949, 950, 951,
&end
#
# 65 SER HB2 93 LEU QD2 4.77 (#SUP 2.28)
&rst
ixpk= 2, nxpk= 0, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=1396,1397,1398,
&end
#
# 63 ILE QG2 63 ILE QD1 3.04 (#SUP 6.76)
&rst
ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 949, 950, 951,
igr2= 956, 957, 958,
&end
#
# 64 LEU HA 64 LEU QD2 4.10 (#SUP 6.71)
&rst
ixpk= 6, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 975, 976, 977,
&end
#
# 14 VAL HA 64 LEU QD2 4.45 (#SUP 6.13)
&rst
ixpk= 6, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 975, 976, 977,
&end
#
# 4 PHE QE 64 LEU QD2 4.83 (#SUP 3.87)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 53, 57,
igr2= 975, 976, 977,
&end
#
# 4 PHE HB3 64 LEU QD2 5.39 (#SUP 4.09)
&rst
ixpk= 4, nxpk= 0, iat= 48, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2= 975, 976, 977,
&end
#
# 64 LEU HB2 64 LEU QD2 3.80 (#SUP 5.86)
&rst
ixpk= 5, nxpk= 0, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 975, 976, 977,
&end
#
# 124 LEU HG 164 PRO HD3 4.71 (#SUP 5.24)
&rst
ixpk= 5, nxpk= 0, iat=1859,2509, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 124 LEU HG 161 GLY HA2 4.15 (#SUP 5.69)
&rst
ixpk= 5, nxpk= 0, iat=1859,2458, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 124 LEU HA 124 LEU HG 4.24 (#SUP 4.67)
&rst
ixpk= 4, nxpk= 0, iat=1854,1859, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 124 LEU HG 161 GLY HA3 4.71 (#SUP 4.60)
&rst
ixpk= 4, nxpk= 0, iat=1859,2459, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 75 HID HN 80 LEU QD2 5.50 (#SUP 4.75)
&rst
ixpk= 4, nxpk= 0, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1198,1199,1200,
&end
#
# 80 LEU HA 80 LEU QD2 3.33 (#SUP 5.47)
&rst
ixpk= 5, nxpk= 0, iat=1187, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1198,1199,1200,
&end
#
# 75 HID HB2 80 LEU QD2 4.27 (#SUP 8.06)
&rst
ixpk= 8, nxpk= 0, iat=1117, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1198,1199,1200,
&end
#
# 75 HID HB3 80 LEU QD2 4.11 (#SUP 7.95)
&rst
ixpk= 7, nxpk= 0, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1198,1199,1200,
&end
#
# 80 LEU HB3 80 LEU QD2 4.12 (#SUP 6.30)
&rst
ixpk= 6, nxpk= 0, iat=1190, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1198,1199,1200,
&end
#
# 124 LEU HA 124 LEU QQD 3.45 (#SUP 5.54)
&rst
ixpk= 5, nxpk= 0, iat=1854, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1865,1866,1867,1861,1862,1863,
&end
#
# 124 LEU QQD 163 LYS HA 3.70 (#SUP 7.29)
&rst
ixpk= 7, nxpk= 0, iat= -1,2487, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1865,1866,1867,1861,1862,1863,
&end
#
# 124 LEU QQD 164 PRO HD2 4.52 (#SUP 6.59)
&rst
ixpk= 6, nxpk= 0, iat= -1,2508, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1865,1866,1867,1861,1862,1863,
&end
#
# 25 LEU QD2 28 LEU HB2 3.66 (#SUP 5.92)
&rst
ixpk= 5, nxpk= 0, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 360, 361, 362,
&end
#
# 124 LEU QQD 164 PRO QG 5.23 (#SUP 7.56)
&rst
ixpk= 7, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41,
igr1=1865,1866,1867,1861,1862,1863,
igr2=2511,2512,
&end
#
# 25 LEU QD2 29 VAL HN 4.93 (#SUP 9.51)
&rst
ixpk= 9, nxpk= 0, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 360, 361, 362,
&end
#
# 25 LEU QD2 26 LYS HN 4.78 (#SUP 8.54)
&rst
ixpk= 8, nxpk= 0, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 360, 361, 362,
&end
#
# 15 VAL HA 25 LEU QD2 5.50 (#SUP 4.48)
&rst
ixpk= 4, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 360, 361, 362,
&end
#
# 22 VAL HA 25 LEU QD2 4.79 (#SUP 5.27)
&rst
ixpk= 5, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 360, 361, 362,
&end
#
# 25 LEU QD2 29 VAL HA 5.43 (#SUP 4.38)
&rst
ixpk= 4, nxpk= 0, iat= -1, 416, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 360, 361, 362,
&end
#
# 16 TRP HB3 25 LEU QD2 4.25 (#SUP 8.87)
&rst
ixpk= 8, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 360, 361, 362,
&end
#
# 25 LEU QD2 29 VAL HB 5.20 (#SUP 6.25)
&rst
ixpk= 6, nxpk= 0, iat= -1, 418, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 360, 361, 362,
&end
#
# 25 LEU QD2 28 LEU HB3 5.39 (#SUP 5.72)
&rst
ixpk= 5, nxpk= 0, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 360, 361, 362,
&end
#
# 73 THR QG2 74 LEU HA 4.93 (#SUP 8.78)
&rst
ixpk= 8, nxpk= 0, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1086,1087,1088,
&end
#
# 73 THR HA 73 THR QG2 3.45 (#SUP 5.46)
&rst
ixpk= 5, nxpk= 0, iat=1082, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1086,1087,1088,
&end
#
# 17 ASP HB3 73 THR QG2 5.50 (#SUP 1.50)
&rst
ixpk= 1, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1086,1087,1088,
&end
#
# 95 LEU QD1 159 ILE HN 5.04 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= -1,2423, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1431,1432,1433,
&end
#
# 95 LEU HA 95 LEU QD1 4.45 (#SUP 8.23)
&rst
ixpk= 8, nxpk= 0, iat=1424, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1431,1432,1433,
&end
#
# 95 LEU QD1 97 GLU HA 5.50 (#SUP 5.09)
&rst
ixpk= 5, nxpk= 0, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1431,1432,1433,
&end
#
# 135 LEU QD1 137 PRO QD 5.50 (#SUP 4.22)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2053,2054,2055,
igr2=2078,2079,
&end
#
# 95 LEU QD1 116 CYS HA 5.50 (#SUP 2.75)
&rst
ixpk= 2, nxpk= 0, iat= -1,1752, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1431,1432,1433,
&end
#
# 135 LEU QD1 156 PHE HB2 5.12 (#SUP 6.44)
&rst
ixpk= 6, nxpk= 0, iat= -1,2374, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=2053,2054,2055,
&end
#
# 95 LEU QD1 97 GLU QG 5.06 (#SUP 3.87)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1=1431,1432,1433,
igr2=1470,1471,
&end
#
# 95 LEU QD1 97 GLU HB3 3.83 (#SUP 6.44)
&rst
ixpk= 6, nxpk= 0, iat= -1,1468, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1431,1432,1433,
&end
#
# 95 LEU QD1 115 LEU QD1 3.66 (#SUP 3.46)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1431,1432,1433,
igr2=1740,1741,1742,
&end
#
# 135 LEU QD1 139 GLU HB3 3.83 (#SUP 9.27)
&rst
ixpk= 9, nxpk= 0, iat= -1,2111, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=2053,2054,2055,
&end
#
# 95 LEU QD1 159 ILE HB 4.26 (#SUP 6.62)
&rst
ixpk= 6, nxpk= 0, iat= -1,2427, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1431,1432,1433,
&end
#
# 135 LEU QD1 156 PHE HZ 5.49 (#SUP 5.47)
&rst
ixpk= 5, nxpk= 0, iat= -1,2382, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=2053,2054,2055,
&end
#
# 135 LEU HA 135 LEU QD1 4.19 (#SUP 6.43)
&rst
ixpk= 6, nxpk= 0, iat=2046, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=2053,2054,2055,
&end
#
# 135 LEU QD1 139 GLU HG3 4.60 (#SUP 6.79)
&rst
ixpk= 6, nxpk= 0, iat= -1,2114, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=2053,2054,2055,
&end
#
# 135 LEU HB2 135 LEU QD1 3.78 (#SUP 6.52)
&rst
ixpk= 6, nxpk= 0, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=2053,2054,2055,
&end
#
# 99 VAL HA 109 VAL QG2 4.54 (#SUP 3.20)
&rst
ixpk= 3, nxpk= 0, iat=1494, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=1646,1647,1648,
&end
#
# 108 LYS QE 109 VAL QG2 5.50 (#SUP 6.07)
&rst
ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1627,1628,
igr2=1646,1647,1648,
&end
#
# 109 VAL QG2 149 HID HB3 4.83 (#SUP 5.19)
&rst
ixpk= 5, nxpk= 0, iat= -1,2268, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1646,1647,1648,
&end
#
# 100 GLU HB3 109 VAL QG2 5.41 (#SUP 3.47)
&rst
ixpk= 3, nxpk= 0, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=1646,1647,1648,
&end
#
# 74 LEU QD1 109 VAL QG2 4.73 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1=1103,1104,1105,
igr2=1646,1647,1648,
&end
#
# 74 LEU QD2 109 VAL QG2 4.01 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1107,1108,1109,
igr2=1646,1647,1648,
&end
#
# 64 LEU HA 64 LEU QD1 3.70 (#SUP 7.56)
&rst
ixpk= 7, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 971, 972, 973,
&end
#
# 4 PHE HB2 64 LEU QD1 4.81 (#SUP 2.59)
&rst
ixpk= 2, nxpk= 0, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 971, 972, 973,
&end
#
# 4 PHE HB3 64 LEU QD1 3.88 (#SUP 5.11)
&rst
ixpk= 5, nxpk= 0, iat= 48, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 971, 972, 973,
&end
#
# 64 LEU QD1 94 PHE HB3 3.89 (#SUP 6.83)
&rst
ixpk= 6, nxpk= 0, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 971, 972, 973,
&end
#
# 64 LEU QD1 67 LEU HG 3.93 (#SUP 3.86)
&rst
ixpk= 3, nxpk= 0, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 971, 972, 973,
&end
#
# 63 ILE HA 64 LEU QD1 5.23 (#SUP 8.88)
&rst
ixpk= 8, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2= 971, 972, 973,
&end
#
# 64 LEU HB2 64 LEU QD1 3.94 (#SUP 6.74)
&rst
ixpk= 6, nxpk= 0, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 971, 972, 973,
&end
#
# 135 LEU HN 135 LEU QD2 4.47 (#SUP 7.40)
&rst
ixpk= 7, nxpk= 0, iat=2044, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=2057,2058,2059,
&end
#
# 135 LEU QD2 156 PHE HZ 5.50 (#SUP 5.57)
&rst
ixpk= 5, nxpk= 0, iat= -1,2382, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2057,2058,2059,
&end
#
# 135 LEU QD2 156 PHE HA 4.42 (#SUP 7.56)
&rst
ixpk= 7, nxpk= 0, iat= -1,2372, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=2057,2058,2059,
&end
#
# 135 LEU HA 135 LEU QD2 3.85 (#SUP 6.15)
&rst
ixpk= 6, nxpk= 0, iat=2046, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=2057,2058,2059,
&end
#
# 135 LEU QD2 156 PHE HB2 4.88 (#SUP 8.09)
&rst
ixpk= 8, nxpk= 0, iat= -1,2374, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=2057,2058,2059,
&end
#
# 135 LEU HB2 135 LEU QD2 4.10 (#SUP 6.15)
&rst
ixpk= 6, nxpk= 0, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=2057,2058,2059,
&end
#
# 13 ALA QB 45 GLU HN 5.50 (#SUP 8.79)
&rst
ixpk= 8, nxpk= 0, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 174, 175, 176,
&end
#
# 12 VAL HA 13 ALA QB 4.47 (#SUP 5.33)
&rst
ixpk= 5, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 174, 175, 176,
&end
#
# 13 ALA QB 15 VAL HA 5.50 (#SUP 4.29)
&rst
ixpk= 4, nxpk= 0, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 174, 175, 176,
&end
#
# 13 ALA QB 42 VAL HA 5.46 (#SUP 5.39)
&rst
ixpk= 5, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 174, 175, 176,
&end
#
# 13 ALA QB 63 ILE HA 3.94 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 174, 175, 176,
&end
#
# 13 ALA QB 44 VAL HA 5.29 (#SUP 9.30)
&rst
ixpk= 9, nxpk= 0, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 174, 175, 176,
&end
#
# 13 ALA QB 14 VAL HA 5.06 (#SUP 8.16)
&rst
ixpk= 8, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 174, 175, 176,
&end
#
# 13 ALA QB 60 PHE HB3 5.43 (#SUP 4.35)
&rst
ixpk= 4, nxpk= 0, iat= -1, 897, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 174, 175, 176,
&end
#
# 13 ALA QB 45 GLU HB3 5.50 (#SUP 4.17)
&rst
ixpk= 4, nxpk= 0, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 174, 175, 176,
&end
#
# 13 ALA QB 44 VAL QQG 5.50 (#SUP 8.25)
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 174, 175, 176,
igr2= 643, 644, 645, 647, 648, 649,
&end
#
# 13 ALA QB 63 ILE HG12 3.83 (#SUP 6.70)
&rst
ixpk= 6, nxpk= 0, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 174, 175, 176,
&end
#
# 13 ALA QB 63 ILE QD1 3.69 (#SUP 9.63)
&rst
ixpk= 9, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 174, 175, 176,
igr2= 956, 957, 958,
&end
#
# 13 ALA QB 44 VAL HN 5.50 (#SUP 6.53)
&rst
ixpk= 6, nxpk= 0, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 174, 175, 176,
&end
#
# 95 LEU QD2 159 ILE HN 5.36 (#SUP 8.03)
&rst
ixpk= 8, nxpk= 0, iat= -1,2423, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=1435,1436,1437,
&end
#
# 80 LEU HA 95 LEU QD2 5.36 (#SUP 2.79)
&rst
ixpk= 2, nxpk= 0, iat=1187, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2=1435,1436,1437,
&end
#
# 95 LEU HA 95 LEU QD2 4.36 (#SUP 7.62)
&rst
ixpk= 7, nxpk= 0, iat=1424, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1435,1436,1437,
&end
#
# 95 LEU QD2 119 LEU HA 5.12 (#SUP 4.84)
&rst
ixpk= 4, nxpk= 0, iat= -1,1784, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=1435,1436,1437,
&end
#
# 65 SER HB2 95 LEU QD2 4.71 (#SUP 7.64)
&rst
ixpk= 7, nxpk= 0, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1435,1436,1437,
&end
#
# 75 HID HB2 95 LEU QD2 4.51 (#SUP 3.75)
&rst
ixpk= 3, nxpk= 0, iat=1117, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1435,1436,1437,
&end
#
# 75 HID HB3 95 LEU QD2 4.80 (#SUP 4.60)
&rst
ixpk= 4, nxpk= 0, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1435,1436,1437,
&end
#
# 80 LEU HG 95 LEU QD2 5.31 (#SUP 3.48)
&rst
ixpk= 3, nxpk= 0, iat=1192, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2=1435,1436,1437,
&end
#
# 95 LEU QD2 159 ILE HB 4.77 (#SUP 4.55)
&rst
ixpk= 4, nxpk= 0, iat= -1,2427, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1435,1436,1437,
&end
#
# 95 LEU QD2 115 LEU HG 4.87 (#SUP 4.21)
&rst
ixpk= 4, nxpk= 0, iat= -1,1738, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=1435,1436,1437,
&end
#
# 95 LEU HB2 95 LEU QD2 3.77 (#SUP 7.21)
&rst
ixpk= 7, nxpk= 0, iat=1426, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1435,1436,1437,
&end
#
# 95 LEU QD2 115 LEU QD2 3.46 (#SUP 5.30)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1435,1436,1437,
igr2=1744,1745,1746,
&end
#
# 95 LEU QD2 119 LEU QD1 3.47 (#SUP 5.95)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=1435,1436,1437,
igr2=1791,1792,1793,
&end
#
# 80 LEU QD2 95 LEU QD2 3.66 (#SUP 2.96)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1198,1199,1200,
igr2=1435,1436,1437,
&end
#
# 16 TRP HH2 25 LEU QD1 5.50 (#SUP 6.94)
&rst
ixpk= 6, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 356, 357, 358,
&end
#
# 16 TRP HA 25 LEU QD1 5.50 (#SUP 8.83)
&rst
ixpk= 8, nxpk= 0, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 356, 357, 358,
&end
#
# 16 TRP HB2 25 LEU QD1 5.05 (#SUP 9.98)
&rst
ixpk= 9, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 356, 357, 358,
&end
#
# 16 TRP HB3 25 LEU QD1 4.81 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 356, 357, 358,
&end
#
# 25 LEU QD1 44 VAL HB 4.98 (#SUP 3.48)
&rst
ixpk= 3, nxpk= 0, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 356, 357, 358,
&end
#
# 25 LEU QD1 29 VAL HB 5.50 (#SUP 4.21)
&rst
ixpk= 4, nxpk= 0, iat= -1, 418, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 356, 357, 358,
&end
#
# 25 LEU HB2 25 LEU QD1 3.58 (#SUP 7.20)
&rst
ixpk= 7, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 356, 357, 358,
&end
#
# 24 ALA QB 25 LEU QD1 5.50 (#SUP 6.51)
&rst
ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 341, 342, 343,
igr2= 356, 357, 358,
&end
#
# 25 LEU HB3 25 LEU QD1 3.38 (#SUP 7.46)
&rst
ixpk= 7, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 356, 357, 358,
&end
#
# 25 LEU QD1 44 VAL QQG 3.42 (#SUP 1.85)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 356, 357, 358,
igr2= 643, 644, 645, 647, 648, 649,
&end
#
# 34 ALA HN 35 LEU QD1 5.68 (#peak 598)
&rst
ixpk= 598, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr2= 519, 520, 521,
&end
#
# 37 GLY HN 42 VAL QG2 4.71 (#peak 1430)
&rst
ixpk= 1430, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 620, 621, 622,
&end
#
# 32 LEU HA 36 THR HN 5.46 (#peak 1432)
&rst
ixpk= 1432, nxpk= 0, iat= 466, 529, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 1 MET HB2 4 PHE HN 6.00 (#peak 1526)
&rst
ixpk= 1526, nxpk= 0, iat= 8, 43, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 3 ASP HN 4 PHE HN 3.58 (#peak 1531)
&rst
ixpk= 1531, nxpk= 0, iat= 31, 43, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 4 PHE HN 5 GLY HN 3.75 (#peak 1532)
&rst
ixpk= 1532, nxpk= 0, iat= 43, 63, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 4 PHE HB2 6 ILE HN 4.59 (#peak 1539)
&rst
ixpk= 1539, nxpk= 0, iat= 47, 70, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 6 ILE HB 7 SER HN 4.22 (#peak 1541)
&rst
ixpk= 1541, nxpk= 0, iat= 74, 89, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 6 ILE HG12 7 SER HN 4.70 (#peak 1542)
&rst
ixpk= 1542, nxpk= 0, iat= 80, 89, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 7 SER HN 10 GLN HE22 5.41 (#peak 1544)
&rst
ixpk= 1544, nxpk= 0, iat= 89, 130, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 7 SER HN 10 GLN HG2 4.40 (#peak 1547)
&rst
ixpk= 1547, nxpk= 0, iat= 89, 124, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 8 ALA HN 35 LEU QD1 4.56 (#peak 1548)
&rst
ixpk= 1548, nxpk= 0, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 519, 520, 521,
&end
#
# 8 ALA HN 35 LEU HB2 5.56 (#peak 1549)
&rst
ixpk= 1549, nxpk= 0, iat= 100, 514, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 7 SER HN 8 ALA HN 5.07 (#peak 1550)
&rst
ixpk= 1550, nxpk= 0, iat= 89, 100, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 9 GLY HN 41 ARG HN 5.59 (#peak 1553)
&rst
ixpk= 1553, nxpk= 0, iat= 110, 586, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 9 GLY HN 39 GLU HN 6.00 (#peak 1554)
&rst
ixpk= 1554, nxpk= 0, iat= 110, 564, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 9 GLY HN 36 THR QG2 4.86 (#peak 1556)
&rst
ixpk= 1556, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 535, 536, 537,
&end
#
# 8 ALA HN 10 GLN HN 5.73 (#peak 1557)
&rst
ixpk= 1557, nxpk= 0, iat= 100, 117, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 10 GLN HN 40 GLY HA2 5.26 (#peak 1559)
&rst
ixpk= 1559, nxpk= 0, iat= 117, 581, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 7 SER QB 10 GLN HN 4.93 (#peak 1561)
&rst
ixpk= 1561, nxpk= 0, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 93, 94,
&end
#
# 8 ALA QB 10 GLN HN 4.79 (#peak 1564)
&rst
ixpk= 1564, nxpk= 0, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 104, 105, 106,
&end
#
# 2 ALA HN 3 ASP HN 3.71 (#peak 1573)
&rst
ixpk= 1573, nxpk= 0, iat= 21, 31, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 3 ASP HN 4 PHE HB2 5.87 (#peak 1574)
&rst
ixpk= 1574, nxpk= 0, iat= 31, 47, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 34 ALA QB 36 THR HN 6.00 (#peak 1580)
&rst
ixpk= 1580, nxpk= 0, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 504, 505, 506,
&end
#
# 33 GLN HN 36 THR HN 6.00 (#peak 1582)
&rst
ixpk= 1582, nxpk= 0, iat= 483, 529, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 9 GLY HN 36 THR HN 6.00 (#peak 1583)
&rst
ixpk= 1583, nxpk= 0, iat= 110, 529, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 32 LEU HN 36 THR HN 6.00 (#peak 1584)
&rst
ixpk= 1584, nxpk= 0, iat= 464, 529, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 38 ASN HN 39 GLU HN 4.83 (#peak 1585)
&rst
ixpk= 1585, nxpk= 0, iat= 550, 564, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 35 LEU HN 37 GLY HN 4.47 (#peak 1586)
&rst
ixpk= 1586, nxpk= 0, iat= 510, 543, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 33 GLN HN 37 GLY HN 5.73 (#peak 1587)
&rst
ixpk= 1587, nxpk= 0, iat= 483, 543, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 37 GLY HN 39 GLU HN 6.00 (#peak 1588)
&rst
ixpk= 1588, nxpk= 0, iat= 543, 564, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 9 GLY HN 37 GLY HN 6.00 (#peak 1589)
&rst
ixpk= 1589, nxpk= 0, iat= 110, 543, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 35 LEU HN 35 LEU HB3 3.51 (#peak 1593)
&rst
ixpk= 1593, nxpk= 0, iat= 510, 515, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 35 LEU HN 35 LEU HG 3.74 (#peak 1594)
&rst
ixpk= 1594, nxpk= 0, iat= 510, 517, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 35 LEU HG 36 THR HN 6.00 (#peak 1595)
&rst
ixpk= 1595, nxpk= 0, iat= 517, 529, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 ALA HN 35 LEU HG 4.34 (#peak 1596)
&rst
ixpk= 1596, nxpk= 0, iat= 500, 517, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 34 ALA HN 35 LEU HB3 4.45 (#peak 1597)
&rst
ixpk= 1597, nxpk= 0, iat= 500, 515, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 32 LEU HN 34 ALA HN 4.84 (#peak 1598)
&rst
ixpk= 1598, nxpk= 0, iat= 464, 500, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 34 ALA HN 36 THR HN 4.93 (#peak 1599)
&rst
ixpk= 1599, nxpk= 0, iat= 500, 529, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 36 THR HN 42 VAL QG1 6.00 (#peak 1603)
&rst
ixpk= 1603, nxpk= 0, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 616, 617, 618,
&end
#
# 33 GLN HG3 37 GLY HN 6.00 (#peak 1607)
&rst
ixpk= 1607, nxpk= 0, iat= 491, 543, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 ALA QB 37 GLY HN 5.52 (#peak 1608)
&rst
ixpk= 1608, nxpk= 0, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 504, 505, 506,
&end
#
# 31 LYS HN 33 GLN HN 5.38 (#peak 1609)
&rst
ixpk= 1609, nxpk= 0, iat= 442, 483, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 31 LYS HB3 32 LEU HN 4.00 (#peak 1610)
&rst
ixpk= 1610, nxpk= 0, iat= 447, 464, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 28 LEU HA 31 LYS HN 4.72 (#peak 1611)
&rst
ixpk= 1611, nxpk= 0, iat= 397, 442, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 27 GLY QA 31 LYS HN 5.44 (#peak 1612)
&rst
ixpk= 1612, nxpk= 0, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 390, 391,
&end
#
# 29 VAL HA 31 LYS HN 5.71 (#peak 1613)
&rst
ixpk= 1613, nxpk= 0, iat= 416, 442, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 29 VAL HN 30 ASP HN 3.54 (#peak 1614)
&rst
ixpk= 1614, nxpk= 0, iat= 414, 430, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 26 LYS HA 30 ASP HN 4.74 (#peak 1615)
&rst
ixpk= 1615, nxpk= 0, iat= 368, 430, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 27 GLY QA 30 ASP HN 4.58 (#peak 1616)
&rst
ixpk= 1616, nxpk= 0, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 390, 391,
&end
#
# 36 THR HN 37 GLY HN 3.36 (#peak 1617)
&rst
ixpk= 1617, nxpk= 0, iat= 529, 543, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 37 GLY HN 38 ASN HN 4.44 (#peak 1618)
&rst
ixpk= 1618, nxpk= 0, iat= 543, 550, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 108 LYS QE 109 VAL HN 6.26 (#peak 1619)
&rst
ixpk= 1619, nxpk= 0, iat= -1,1636, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr1=1627,1628,
&end
#
# 135 LEU HB3 140 VAL HN 5.10 (#peak 1626)
&rst
ixpk= 1626, nxpk= 0, iat=2049,2121, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 106 ASN HN 106 ASN HD21 6.00 (#peak 1635)
&rst
ixpk= 1635, nxpk= 0, iat=1589,1598, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 106 ASN HN 106 ASN HD22 6.00 (#peak 1636)
&rst
ixpk= 1636, nxpk= 0, iat=1589,1599, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 101 THR HA 103 VAL HN 5.45 (#peak 1640)
&rst
ixpk= 1640, nxpk= 0, iat=1525,1547, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 102 ALA HN 153 ASN HD22 6.00 (#peak 1648)
&rst
ixpk= 1648, nxpk= 0, iat=1537,2328, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 102 ALA HN 103 VAL QG2 4.69 (#peak 1651)
&rst
ixpk= 1651, nxpk= 0, iat=1537, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1557,1558,1559,
&end
#
# 101 THR HN 103 VAL QG2 5.98 (#peak 1658)
&rst
ixpk= 1658, nxpk= 0, iat=1523, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr2=1557,1558,1559,
&end
#
# 100 GLU HB2 101 THR HA 5.48 (#peak 237)
&rst
ixpk= 237, nxpk= 0, iat=1512,1525, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 99 VAL QG2 101 THR QG2 3.06 (#peak 2371)
&rst
ixpk= 2371, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1502,1503,1504,
igr2=1529,1530,1531,
&end
#
# 100 GLU HA 154 LEU HA 3.91 (#peak 2666)
&rst
ixpk= 2666, nxpk= 0, iat=1510,2334, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 100 GLU HA 101 THR HA 5.13 (#peak 2667)
&rst
ixpk= 2667, nxpk= 0, iat=1510,1525, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 100 GLU HA 101 THR QG2 4.36 (#peak 2668)
&rst
ixpk= 2668, nxpk= 0, iat=1510, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1529,1530,1531,
&end
#
# 100 GLU HB3 103 VAL QG1 4.48 (#peak 2670)
&rst
ixpk= 2670, nxpk= 0, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1553,1554,1555,
&end
#
# 100 GLU HB3 109 VAL QG2 4.76 (#peak 2671)
&rst
ixpk= 2671, nxpk= 0, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1646,1647,1648,
&end
#
# 100 GLU HN 100 GLU HG3 6.00 (#peak 2673)
&rst
ixpk= 2673, nxpk= 0, iat=1508,1516, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 100 GLU HN 100 GLU HG2 6.00 (#peak 2674)
&rst
ixpk= 2674, nxpk= 0, iat=1508,1515, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 101 THR QG2 154 LEU HA 5.01 (#peak 2681)
&rst
ixpk= 2681, nxpk= 0, iat= -1,2334, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=1529,1530,1531,
&end
#
# 102 ALA HA 103 VAL HN 3.22 (#peak 2682)
&rst
ixpk= 2682, nxpk= 0, iat=1539,1547, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 102 ALA QB 103 VAL HN 6.00 (#peak 2683)
&rst
ixpk= 2683, nxpk= 0, iat= -1,1547, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1541,1542,1543,
&end
#
# 102 ALA HA 103 VAL QG2 4.10 (#peak 2687)
&rst
ixpk= 2687, nxpk= 0, iat=1539, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1557,1558,1559,
&end
#
# 102 ALA QB 103 VAL HA 4.83 (#peak 2689)
&rst
ixpk= 2689, nxpk= 0, iat= -1,1549, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1541,1542,1543,
&end
#
# 103 VAL HA 104 ASP HA 4.30 (#peak 2691)
&rst
ixpk= 2691, nxpk= 0, iat=1549,1565, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 103 VAL QG1 104 ASP HA 4.90 (#peak 2693)
&rst
ixpk= 2693, nxpk= 0, iat= -1,1565, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1553,1554,1555,
&end
#
# 104 ASP HB3 111 THR QG2 5.06 (#peak 2695)
&rst
ixpk= 2695, nxpk= 0, iat=1568, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1680,1681,1682,
&end
#
# 103 VAL QG1 104 ASP HB3 4.52 (#peak 2696)
&rst
ixpk= 2696, nxpk= 0, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1553,1554,1555,
&end
#
# 105 ASN QB 105 ASN HD21 3.77 (#peak 2708)
&rst
ixpk= 2708, nxpk= 0, iat= -1,1584, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1579,1580,
&end
#
# 107 SER HB3 108 LYS HN 5.73 (#peak 2716)
&rst
ixpk= 2716, nxpk= 0, iat=1608,1614, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 107 SER HB3 109 VAL HN 4.46 (#peak 2717)
&rst
ixpk= 2717, nxpk= 0, iat=1608,1636, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 103 VAL HB 107 SER HB2 4.60 (#peak 2720)
&rst
ixpk= 2720, nxpk= 0, iat=1551,1607, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 103 VAL HB 107 SER HB3 4.55 (#peak 2721)
&rst
ixpk= 2721, nxpk= 0, iat=1551,1608, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 74 LEU QQD 109 VAL QG2 2.98 (#peak 2728)
&rst
ixpk= 2728, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=1107,1108,1109,1103,1104,1105,
igr2=1646,1647,1648,
&end
#
# 108 LYS QG 109 VAL QG2 3.82 (#peak 2730)
&rst
ixpk= 2730, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1621,1622,
igr2=1646,1647,1648,
&end
#
# 100 GLU HB2 109 VAL QG2 4.70 (#peak 2731)
&rst
ixpk= 2731, nxpk= 0, iat=1512, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1646,1647,1648,
&end
#
# 109 VAL QG2 149 HID HB2 5.00 (#peak 2733)
&rst
ixpk= 2733, nxpk= 0, iat= -1,2267, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1646,1647,1648,
&end
#
# 109 VAL HB 110 LYS HN 5.22 (#peak 2742)
&rst
ixpk= 2742, nxpk= 0, iat=1640,1652, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 109 VAL QG2 110 LYS HN 4.77 (#peak 2744)
&rst
ixpk= 2744, nxpk= 0, iat= -1,1652, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1646,1647,1648,
&end
#
# 111 THR HB 113 SER HN 4.18 (#peak 2759)
&rst
ixpk= 2759, nxpk= 0, iat=1678,1698, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 111 THR HB 112 ALA HA 4.87 (#peak 2760)
&rst
ixpk= 2760, nxpk= 0, iat=1678,1690, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 111 THR HB 112 ALA QB 4.63 (#peak 2761)
&rst
ixpk= 2761, nxpk= 0, iat=1678, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1692,1693,1694,
&end
#
# 111 THR HN 111 THR QG2 6.00 (#peak 2762)
&rst
ixpk= 2762, nxpk= 0, iat=1674, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1680,1681,1682,
&end
#
# 100 GLU HN 111 THR QG2 4.06 (#peak 2763)
&rst
ixpk= 2763, nxpk= 0, iat=1508, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1680,1681,1682,
&end
#
# 109 VAL HA 109 VAL QG2 3.55 (#peak 2764)
&rst
ixpk= 2764, nxpk= 0, iat=1638, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1646,1647,1648,
&end
#
# 102 ALA QB 103 VAL QG2 4.11 (#peak 3873)
&rst
ixpk= 3873, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1541,1542,1543,
igr2=1557,1558,1559,
&end
#
# 106 ASN HB3 107 SER HB2 5.46 (#peak 3882)
&rst
ixpk= 3882, nxpk= 0, iat=1594,1607, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 3 ASP HB3 4 PHE HA 6.00 (#peak 3883)
&rst
ixpk= 3883, nxpk= 0, iat= 36, 45, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 107 SER HB2 109 VAL QG2 5.15 (#peak 3884)
&rst
ixpk= 3884, nxpk= 0, iat=1607, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2=1646,1647,1648,
&end
#
# 107 SER HB3 109 VAL QG2 4.80 (#peak 3885)
&rst
ixpk= 3885, nxpk= 0, iat=1608, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1646,1647,1648,
&end
#
# 74 LEU QQD 109 VAL HA 3.96 (#peak 3888)
&rst
ixpk= 3888, nxpk= 0, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1107,1108,1109,1103,1104,1105,
&end
#
# 110 LYS HA 110 LYS QD 6.00 (#peak 3892)
&rst
ixpk= 3892, nxpk= 0, iat=1654, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1662,1663,
&end
#
# 109 VAL HA 110 LYS HN 3.43 (#peak 3902)
&rst
ixpk= 3902, nxpk= 0, iat=1638,1652, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
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