NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
532029 |
2lfj   |
17762 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# ----- dyana2amber, v.2.2 -----
# run by roberta on matisse on ven mag 13 17:54:45 CEST 2011
# reading mapFile /home/roberta/bin/map_dyana2amberWrap
# reading pdbFile amberModel_1.pdb
# reading uplFile /home/roberta/cyana/bs_190210/mbs_caliba_cor.upl
# 2 GLU- HN 2 GLU- HA 1.800 3.050
&rst iat= 26, 28, r1=1.300, r2=1.800, r3=3.050, r4= 3.550,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 2 GLU- HN 2 GLU- HB3 1.800 3.700
&rst iat= 26, 31, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 2 GLU- HN 2 GLU- HB2 1.800 3.730
&rst iat= 26, 30, r1=1.300, r2=1.800, r3=3.730, r4= 4.230,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 2 GLU- HN 3 SER HN 1.800 5.500
&rst iat= 26, 41, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 4 ALA HN 7 LYS+ HN 1.800 5.500
&rst iat= 52, 82, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 4 ALA HN 5 ALA HN 1.800 4.010
&rst iat= 52, 62, r1=1.300, r2=1.800, r3=4.010, r4= 4.510,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 4 ALA HN 4 ALA HA 1.800 4.140
&rst iat= 52, 54, r1=1.300, r2=1.800, r3=4.140, r4= 4.640,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 3 SER HA 4 ALA HN 1.800 3.610
&rst iat= 43, 52, r1=1.300, r2=1.800, r3=3.610, r4= 4.110,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 5 ALA HN 6 ALA HN 1.800 3.640
&rst iat= 62, 72, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 5 ALA HN 5 ALA HA 1.800 3.550
&rst iat= 62, 64, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 4 ALA HA 5 ALA HN 1.800 4.790
&rst iat= 54, 62, r1=1.300, r2=1.800, r3=4.790, r4= 5.290,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 6 ALA HN 7 LYS+ HN 1.800 3.640
&rst iat= 72, 82, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 6 ALA HN 6 ALA HA 1.800 3.700
&rst iat= 72, 74, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 5 ALA HA 6 ALA HN 1.800 4.570
&rst iat= 64, 72, r1=1.300, r2=1.800, r3=4.570, r4= 5.070,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 7 LYS+ HN 8 PHE HN 1.800 3.730
&rst iat= 82, 104, r1=1.300, r2=1.800, r3=3.730, r4= 4.230,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 7 LYS+ HN 7 LYS+ HA 1.800 3.830
&rst iat= 82, 84, r1=1.300, r2=1.800, r3=3.830, r4= 4.330,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 6 ALA HA 7 LYS+ HN 1.800 4.820
&rst iat= 74, 82, r1=1.300, r2=1.800, r3=4.820, r4= 5.320,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 5 ALA HA 7 LYS+ HN 1.800 5.500
&rst iat= 64, 82, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 7 LYS+ HN 7 LYS+ HB3 1.800 3.790
&rst iat= 82, 87, r1=1.300, r2=1.800, r3=3.790, r4= 4.290,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 7 LYS+ HN 7 LYS+ HB2 1.800 3.700
&rst iat= 82, 86, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 8 PHE HN 9 GLU- HN 1.800 3.890
&rst iat= 104, 124, r1=1.300, r2=1.800, r3=3.890, r4= 4.390,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 8 PHE HN 8 PHE HA 1.800 3.830
&rst iat= 104, 106, r1=1.300, r2=1.800, r3=3.830, r4= 4.330,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 4 ALA HA 8 PHE HN 1.800 5.410
&rst iat= 54, 104, r1=1.300, r2=1.800, r3=5.410, r4= 5.910,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 7 LYS+ HA 8 PHE HN 1.800 5.040
&rst iat= 84, 104, r1=1.300, r2=1.800, r3=5.040, r4= 5.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 8 PHE HN 8 PHE HB2 1.800 3.580
&rst iat= 104, 108, r1=1.300, r2=1.800, r3=3.580, r4= 4.080,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 8 PHE HN 8 PHE HB3 1.800 3.390
&rst iat= 104, 109, r1=1.300, r2=1.800, r3=3.390, r4= 3.890,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 7 LYS+ HB2 8 PHE HN 1.800 3.950
&rst iat= 86, 104, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 7 LYS+ HB3 8 PHE HN 1.800 4.420
&rst iat= 87, 104, r1=1.300, r2=1.800, r3=4.420, r4= 4.920,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 8 PHE HB2 9 GLU- HN 1.800 4.010
&rst iat= 108, 124, r1=1.300, r2=1.800, r3=4.010, r4= 4.510,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 6 ALA HA 9 GLU- HN 1.800 4.350
&rst iat= 74, 124, r1=1.300, r2=1.800, r3=4.350, r4= 4.850,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 8 PHE HA 9 GLU- HN 1.800 5.160
&rst iat= 106, 124, r1=1.300, r2=1.800, r3=5.160, r4= 5.660,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 8 PHE HB3 9 GLU- HN 1.800 4.380
&rst iat= 109, 124, r1=1.300, r2=1.800, r3=4.380, r4= 4.880,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 9 GLU- HN 9 GLU- HB2 1.800 3.450
&rst iat= 124, 128, r1=1.300, r2=1.800, r3=3.450, r4= 3.950,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 8 PHE HN 10 ARG+ HN 1.800 5.500
&rst iat= 104, 139, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 10 ARG+ HN 10 ARG+ HA 1.800 4.260
&rst iat= 139, 141, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 9 GLU- HA 10 ARG+ HN 1.800 5.500
&rst iat= 126, 139, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 7 LYS+ HA 10 ARG+ HN 1.800 5.070
&rst iat= 84, 139, r1=1.300, r2=1.800, r3=5.070, r4= 5.570,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 9 GLU- HB2 10 ARG+ HN 1.800 4.540
&rst iat= 128, 139, r1=1.300, r2=1.800, r3=4.540, r4= 5.040,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 9 GLU- HB3 10 ARG+ HN 1.800 3.640
&rst iat= 129, 139, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 10 ARG+ HN 10 ARG+ HB2 1.800 3.890
&rst iat= 139, 143, r1=1.300, r2=1.800, r3=3.890, r4= 4.390,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 10 ARG+ HN 10 ARG+ HB3 1.800 3.950
&rst iat= 139, 144, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 10 ARG+ HN 11 GLN HN 1.800 4.480
&rst iat= 139, 163, r1=1.300, r2=1.800, r3=4.480, r4= 4.980,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 12 HIS+ HN 13 MET HN 1.800 3.640
&rst iat= 180, 198, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 11 GLN HN 13 MET HN 1.800 5.500
&rst iat= 163, 198, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 11 GLN HN 12 HIS+ HN 1.800 3.730
&rst iat= 163, 180, r1=1.300, r2=1.800, r3=3.730, r4= 4.230,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 11 GLN HN 11 GLN HA 1.800 4.480
&rst iat= 163, 165, r1=1.300, r2=1.800, r3=4.480, r4= 4.980,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 7 LYS+ HA 11 GLN HN 1.800 5.500
&rst iat= 84, 163, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 8 PHE HA 11 GLN HN 1.800 5.500
&rst iat= 106, 163, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 10 ARG+ HA 11 GLN HN 1.800 5.500
&rst iat= 141, 163, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 11 GLN HN 11 GLN HB3 1.800 4.540
&rst iat= 163, 168, r1=1.300, r2=1.800, r3=4.540, r4= 5.040,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 11 GLN HN 11 GLN HB2 1.800 3.730
&rst iat= 163, 167, r1=1.300, r2=1.800, r3=3.730, r4= 4.230,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 10 ARG+ HB3 11 GLN HN 1.800 4.970
&rst iat= 144, 163, r1=1.300, r2=1.800, r3=4.970, r4= 5.470,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 9 GLU- HB3 11 GLN HN 1.800 5.500
&rst iat= 129, 163, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 12 HIS+ HN 12 HIS+ HA 1.800 4.540
&rst iat= 180, 182, r1=1.300, r2=1.800, r3=4.540, r4= 5.040,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 8 PHE HA 12 HIS+ HN 1.800 5.380
&rst iat= 106, 180, r1=1.300, r2=1.800, r3=5.380, r4= 5.880,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 11 GLN HA 12 HIS+ HN 1.800 5.500
&rst iat= 165, 180, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 9 GLU- HA 12 HIS+ HN 1.800 5.500
&rst iat= 126, 180, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 12 HIS+ HN 12 HIS+ HB2 1.800 4.510
&rst iat= 180, 184, r1=1.300, r2=1.800, r3=4.510, r4= 5.010,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 12 HIS+ HN 12 HIS+ HB3 1.800 3.790
&rst iat= 180, 185, r1=1.300, r2=1.800, r3=3.790, r4= 4.290,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 11 GLN HB2 12 HIS+ HN 1.800 4.630
&rst iat= 167, 180, r1=1.300, r2=1.800, r3=4.630, r4= 5.130,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 11 GLN HB3 12 HIS+ HN 1.800 5.500
&rst iat= 168, 180, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 13 MET HN 13 MET HA 1.800 4.140
&rst iat= 198, 200, r1=1.300, r2=1.800, r3=4.140, r4= 4.640,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 12 HIS+ HA 13 MET HN 1.800 5.500
&rst iat= 182, 198, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 9 GLU- HA 13 MET HN 1.800 4.510
&rst iat= 126, 198, r1=1.300, r2=1.800, r3=4.510, r4= 5.010,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 13 MET HN 13 MET HB3 1.800 5.000
&rst iat= 198, 203, r1=1.300, r2=1.800, r3=5.000, r4= 5.500,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 13 MET HN 13 MET HB2 1.800 4.200
&rst iat= 198, 202, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 14 ASP- HN 47 VAL HN 1.800 5.310
&rst iat= 217, 711, r1=1.300, r2=1.800, r3=5.310, r4= 5.810,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 13 MET HA 14 ASP- HN 1.800 3.080
&rst iat= 200, 217, r1=1.300, r2=1.800, r3=3.080, r4= 3.580,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 14 ASP- HN 14 ASP- HB3 1.800 5.040
&rst iat= 217, 222, r1=1.300, r2=1.800, r3=5.040, r4= 5.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 14 ASP- HN 14 ASP- HB2 1.800 5.500
&rst iat= 217, 221, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 14 ASP- HN 15 SER HN 1.800 5.500
&rst iat= 217, 229, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 15 SER HN 15 SER HA 1.800 4.540
&rst iat= 229, 231, r1=1.300, r2=1.800, r3=4.540, r4= 5.040,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 15 SER HN 15 SER HB3 1.800 4.170
&rst iat= 229, 234, r1=1.300, r2=1.800, r3=4.170, r4= 4.670,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 15 SER HN 15 SER HB2 1.800 4.910
&rst iat= 229, 233, r1=1.300, r2=1.800, r3=4.910, r4= 5.410,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 14 ASP- HA 15 SER HN 1.800 3.330
&rst iat= 219, 229, r1=1.300, r2=1.800, r3=3.330, r4= 3.830,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 14 ASP- HB2 15 SER HN 1.800 5.500
&rst iat= 221, 229, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 15 SER HN 16 GLY HN 1.800 5.280
&rst iat= 229, 240, r1=1.300, r2=1.800, r3=5.280, r4= 5.780,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 16 GLY HN 16 GLY HA1 1.800 4.260
&rst iat= 240, 242, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 16 GLY HN 16 GLY HA2 1.800 3.760
&rst iat= 240, 243, r1=1.300, r2=1.800, r3=3.760, r4= 4.260,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 15 SER HB3 16 GLY HN 1.800 5.500
&rst iat= 234, 240, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 15 SER HA 16 GLY HN 1.800 3.670
&rst iat= 231, 240, r1=1.300, r2=1.800, r3=3.670, r4= 4.170,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 17 ASN HN 18 SER HN 1.800 5.250
&rst iat= 247, 261, r1=1.300, r2=1.800, r3=5.250, r4= 5.750,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 16 GLY HN 17 ASN HN 1.800 4.820
&rst iat= 240, 247, r1=1.300, r2=1.800, r3=4.820, r4= 5.320,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 17 ASN HN 17 ASN HA 1.800 4.690
&rst iat= 247, 249, r1=1.300, r2=1.800, r3=4.690, r4= 5.190,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 16 GLY HA1 17 ASN HN 1.800 4.010
&rst iat= 242, 247, r1=1.300, r2=1.800, r3=4.010, r4= 4.510,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 16 GLY HA2 17 ASN HN 1.800 4.260
&rst iat= 243, 247, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 17 ASN HN 17 ASN HB2 1.800 4.420
&rst iat= 247, 251, r1=1.300, r2=1.800, r3=4.420, r4= 4.920,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 17 ASN HN 17 ASN HB3 1.800 4.350
&rst iat= 247, 252, r1=1.300, r2=1.800, r3=4.350, r4= 4.850,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 18 SER HN 18 SER HA 1.800 4.320
&rst iat= 261, 263, r1=1.300, r2=1.800, r3=4.320, r4= 4.820,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 17 ASN HA 18 SER HN 1.800 3.640
&rst iat= 249, 261, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 18 SER HN 18 SER HB3 1.800 3.830
&rst iat= 261, 266, r1=1.300, r2=1.800, r3=3.830, r4= 4.330,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 18 SER HN 18 SER HB2 1.800 4.510
&rst iat= 261, 265, r1=1.300, r2=1.800, r3=4.510, r4= 5.010,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 17 ASN HB3 18 SER HN 1.800 4.760
&rst iat= 252, 261, r1=1.300, r2=1.800, r3=4.760, r4= 5.260,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 17 ASN HB2 18 SER HN 1.800 4.660
&rst iat= 251, 261, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 20 SER HN 21 SER HN 1.800 5.280
&rst iat= 286, 297, r1=1.300, r2=1.800, r3=5.280, r4= 5.780,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 20 SER HN 20 SER HA 1.800 3.360
&rst iat= 286, 288, r1=1.300, r2=1.800, r3=3.360, r4= 3.860,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 20 SER HN 20 SER HB2 1.800 3.980
&rst iat= 286, 290, r1=1.300, r2=1.800, r3=3.980, r4= 4.480,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 20 SER HN 20 SER HB3 1.800 4.350
&rst iat= 286, 291, r1=1.300, r2=1.800, r3=4.350, r4= 4.850,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 19 PRO HA 20 SER HN 1.800 3.420
&rst iat= 282, 286, r1=1.300, r2=1.800, r3=3.420, r4= 3.920,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 21 SER HN 21 SER HA 1.800 3.920
&rst iat= 297, 299, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 21 SER HN 22 SER HN 1.800 4.660
&rst iat= 297, 308, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 20 SER HA 21 SER HN 1.800 3.950
&rst iat= 288, 297, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 21 SER HN 21 SER HB2 1.800 3.700
&rst iat= 297, 301, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 20 SER HB2 21 SER HN 1.800 5.250
&rst iat= 290, 297, r1=1.300, r2=1.800, r3=5.250, r4= 5.750,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 20 SER HB3 21 SER HN 1.800 5.500
&rst iat= 291, 297, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 22 SER HN 22 SER HA 1.800 4.040
&rst iat= 308, 310, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 21 SER HA 22 SER HN 1.800 4.200
&rst iat= 299, 308, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 22 SER HN 22 SER HB2 1.800 4.540
&rst iat= 308, 312, r1=1.300, r2=1.800, r3=4.540, r4= 5.040,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 22 SER HN 22 SER HB3 1.800 4.290
&rst iat= 308, 313, r1=1.300, r2=1.800, r3=4.290, r4= 4.790,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 22 SER HA 23 SER HN 1.800 4.630
&rst iat= 310, 319, r1=1.300, r2=1.800, r3=4.630, r4= 5.130,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 23 SER HN 23 SER HB2 1.800 5.500
&rst iat= 319, 323, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 23 SER HN 23 SER HB3 1.800 5.500
&rst iat= 319, 324, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 24 ASN HN 25 TYR HN 1.800 4.850
&rst iat= 330, 344, r1=1.300, r2=1.800, r3=4.850, r4= 5.350,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 24 ASN HN 24 ASN HA 1.800 5.040
&rst iat= 330, 332, r1=1.300, r2=1.800, r3=5.040, r4= 5.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 24 ASN HN 24 ASN HB2 1.800 4.850
&rst iat= 330, 334, r1=1.300, r2=1.800, r3=4.850, r4= 5.350,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 24 ASN HN 24 ASN HB3 1.800 3.860
&rst iat= 330, 335, r1=1.300, r2=1.800, r3=3.860, r4= 4.360,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 25 TYR HN 25 TYR HA 1.800 3.670
&rst iat= 344, 346, r1=1.300, r2=1.800, r3=3.670, r4= 4.170,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 24 ASN HA 25 TYR HN 1.800 4.140
&rst iat= 332, 344, r1=1.300, r2=1.800, r3=4.140, r4= 4.640,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 25 TYR HN 25 TYR HB2 1.800 3.390
&rst iat= 344, 348, r1=1.300, r2=1.800, r3=3.390, r4= 3.890,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 25 TYR HN 25 TYR HB3 1.800 4.070
&rst iat= 344, 349, r1=1.300, r2=1.800, r3=4.070, r4= 4.570,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 26 CYSS HN 26 CYSS HA 1.800 4.260
&rst iat= 365, 367, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 25 TYR HB2 26 CYSS HN 1.800 4.510
&rst iat= 348, 365, r1=1.300, r2=1.800, r3=4.510, r4= 5.010,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 25 TYR HA 26 CYSS HN 1.800 5.500
&rst iat= 346, 365, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 25 TYR HB3 26 CYSS HN 1.800 4.350
&rst iat= 349, 365, r1=1.300, r2=1.800, r3=4.350, r4= 4.850,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 26 CYSS HN 26 CYSS HB2 1.800 4.070
&rst iat= 365, 369, r1=1.300, r2=1.800, r3=4.070, r4= 4.570,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 24 ASN HA 26 CYSS HN 1.800 4.070
&rst iat= 332, 365, r1=1.300, r2=1.800, r3=4.070, r4= 4.570,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 26 CYSS HN 26 CYSS HB3 1.800 4.630
&rst iat= 365, 370, r1=1.300, r2=1.800, r3=4.630, r4= 5.130,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 27 ASN HN 27 ASN HA 1.800 4.290
&rst iat= 377, 379, r1=1.300, r2=1.800, r3=4.290, r4= 4.790,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 27 ASN HN 27 ASN HB2 1.800 4.040
&rst iat= 377, 381, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 26 CYSS HB2 27 ASN HN 1.800 4.600
&rst iat= 369, 377, r1=1.300, r2=1.800, r3=4.600, r4= 5.100,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 24 ASN HA 27 ASN HN 1.800 4.480
&rst iat= 332, 377, r1=1.300, r2=1.800, r3=4.480, r4= 4.980,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 26 CYSS HB3 27 ASN HN 1.800 5.190
&rst iat= 370, 377, r1=1.300, r2=1.800, r3=5.190, r4= 5.690,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 27 ASN HN 28 LEU HN 1.800 3.760
&rst iat= 377, 391, r1=1.300, r2=1.800, r3=3.760, r4= 4.260,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 28 LEU HN 29 MET HN 1.800 3.790
&rst iat= 391, 410, r1=1.300, r2=1.800, r3=3.790, r4= 4.290,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 28 LEU HN 28 LEU HA 1.800 3.920
&rst iat= 391, 393, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 27 ASN HA 28 LEU HN 1.800 5.310
&rst iat= 379, 391, r1=1.300, r2=1.800, r3=5.310, r4= 5.810,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 25 TYR HA 28 LEU HN 1.800 5.500
&rst iat= 346, 391, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 28 LEU HN 31 CYS HB2 1.800 5.500
&rst iat= 391, 452, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 27 ASN HB2 28 LEU HN 1.800 3.450
&rst iat= 381, 391, r1=1.300, r2=1.800, r3=3.450, r4= 3.950,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 28 LEU HN 28 LEU HB2 1.800 3.330
&rst iat= 391, 395, r1=1.300, r2=1.800, r3=3.330, r4= 3.830,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 29 MET HN 29 MET HA 1.800 4.720
&rst iat= 410, 412, r1=1.300, r2=1.800, r3=4.720, r4= 5.220,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 28 LEU HA 29 MET HN 1.800 5.310
&rst iat= 393, 410, r1=1.300, r2=1.800, r3=5.310, r4= 5.810,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 26 CYSS HA 29 MET HN 1.800 5.440
&rst iat= 367, 410, r1=1.300, r2=1.800, r3=5.440, r4= 5.940,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 25 TYR HA 29 MET HN 1.800 5.500
&rst iat= 346, 410, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 29 MET HN 29 MET HB2 1.800 4.230
&rst iat= 410, 414, r1=1.300, r2=1.800, r3=4.230, r4= 4.730,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 28 LEU HB2 29 MET HN 1.800 3.580
&rst iat= 395, 410, r1=1.300, r2=1.800, r3=3.580, r4= 4.080,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 29 MET HN 30 MET HN 1.800 4.010
&rst iat= 410, 429, r1=1.300, r2=1.800, r3=4.010, r4= 4.510,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 30 MET HN 31 CYS HN 1.800 3.760
&rst iat= 429, 448, r1=1.300, r2=1.800, r3=3.760, r4= 4.260,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 28 LEU HN 30 MET HN 1.800 5.500
&rst iat= 391, 429, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 31 CYS HN 32 CYS HN 1.800 3.700
&rst iat= 448, 461, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 30 MET HN 30 MET HA 1.800 4.510
&rst iat= 429, 431, r1=1.300, r2=1.800, r3=4.510, r4= 5.010,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 29 MET HA 30 MET HN 1.800 5.500
&rst iat= 412, 429, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 26 CYSS HA 30 MET HN 1.800 5.130
&rst iat= 367, 429, r1=1.300, r2=1.800, r3=5.130, r4= 5.630,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 30 MET HN 31 CYS HB3 1.800 5.470
&rst iat= 429, 453, r1=1.300, r2=1.800, r3=5.470, r4= 5.970,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 30 MET HN 30 MET HB2 1.800 3.610
&rst iat= 429, 433, r1=1.300, r2=1.800, r3=3.610, r4= 4.110,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 30 MET HN 30 MET HB3 1.800 4.540
&rst iat= 429, 434, r1=1.300, r2=1.800, r3=4.540, r4= 5.040,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 29 MET HB2 30 MET HN 1.800 4.540
&rst iat= 414, 429, r1=1.300, r2=1.800, r3=4.540, r4= 5.040,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 26 CYSS HB3 30 MET HN 1.800 5.500
&rst iat= 370, 429, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 31 CYS HN 31 CYS HA 1.800 4.200
&rst iat= 448, 450, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 27 ASN HA 31 CYS HN 1.800 5.500
&rst iat= 379, 448, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 30 MET HA 31 CYS HN 1.800 5.500
&rst iat= 431, 448, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 28 LEU HA 31 CYS HN 1.800 5.500
&rst iat= 393, 448, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 31 CYS HN 31 CYS HB2 1.800 3.700
&rst iat= 448, 452, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 31 CYS HN 31 CYS HB3 1.800 4.100
&rst iat= 448, 453, r1=1.300, r2=1.800, r3=4.100, r4= 4.600,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 30 MET HB2 31 CYS HN 1.800 5.340
&rst iat= 433, 448, r1=1.300, r2=1.800, r3=5.340, r4= 5.840,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 30 MET HB3 31 CYS HN 1.800 5.500
&rst iat= 434, 448, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 32 CYS HN 33 ARG+ HN 1.800 4.040
&rst iat= 461, 474, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 32 CYS HN 32 CYS HA 1.800 4.200
&rst iat= 461, 463, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 31 CYS HA 32 CYS HN 1.800 5.500
&rst iat= 450, 461, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 29 MET HA 32 CYS HN 1.800 4.540
&rst iat= 412, 461, r1=1.300, r2=1.800, r3=4.540, r4= 5.040,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 28 LEU HA 32 CYS HN 1.800 5.500
&rst iat= 393, 461, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 32 CYS HN 32 CYS HB2 1.800 4.070
&rst iat= 461, 465, r1=1.300, r2=1.800, r3=4.070, r4= 4.570,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 32 CYS HN 32 CYS HB3 1.800 3.890
&rst iat= 461, 466, r1=1.300, r2=1.800, r3=3.890, r4= 4.390,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 31 CYS HB2 32 CYS HN 1.800 4.070
&rst iat= 452, 461, r1=1.300, r2=1.800, r3=4.070, r4= 4.570,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 31 CYS HN 33 ARG+ HN 1.800 5.500
&rst iat= 448, 474, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 33 ARG+ HN 33 ARG+ HA 1.800 5.500
&rst iat= 474, 476, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 32 CYS HA 33 ARG+ HN 1.800 5.380
&rst iat= 463, 474, r1=1.300, r2=1.800, r3=5.380, r4= 5.880,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 29 MET HA 33 ARG+ HN 1.800 5.500
&rst iat= 412, 474, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 32 CYS HB3 33 ARG+ HN 1.800 5.100
&rst iat= 466, 474, r1=1.300, r2=1.800, r3=5.100, r4= 5.600,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 32 CYS HB2 33 ARG+ HN 1.800 5.100
&rst iat= 465, 474, r1=1.300, r2=1.800, r3=5.100, r4= 5.600,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 33 ARG+ HN 33 ARG+ HB2 1.800 4.660
&rst iat= 474, 478, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 33 ARG+ HN 33 ARG+ HB3 1.800 4.290
&rst iat= 474, 479, r1=1.300, r2=1.800, r3=4.290, r4= 4.790,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 33 ARG+ HN 34 LYS+ HN 1.800 4.970
&rst iat= 474, 498, r1=1.300, r2=1.800, r3=4.970, r4= 5.470,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 34 LYS+ HN 34 LYS+ HA 1.800 3.270
&rst iat= 498, 500, r1=1.300, r2=1.800, r3=3.270, r4= 3.770,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 33 ARG+ HA 34 LYS+ HN 1.800 4.970
&rst iat= 476, 498, r1=1.300, r2=1.800, r3=4.970, r4= 5.470,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 31 CYS HA 34 LYS+ HN 1.800 5.160
&rst iat= 450, 498, r1=1.300, r2=1.800, r3=5.160, r4= 5.660,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 34 LYS+ HN 34 LYS+ HB2 1.800 5.100
&rst iat= 498, 502, r1=1.300, r2=1.800, r3=5.100, r4= 5.600,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 34 LYS+ HN 34 LYS+ HB3 1.800 4.820
&rst iat= 498, 503, r1=1.300, r2=1.800, r3=4.820, r4= 5.320,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 33 ARG+ HB2 34 LYS+ HN 1.800 5.500
&rst iat= 478, 498, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 34 LYS+ HN 35 MET HN 1.800 4.350
&rst iat= 498, 520, r1=1.300, r2=1.800, r3=4.350, r4= 4.850,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 35 MET HN 37 GLN HN 1.800 5.410
&rst iat= 520, 553, r1=1.300, r2=1.800, r3=5.410, r4= 5.910,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 35 MET HN 35 MET HA 1.800 4.570
&rst iat= 520, 522, r1=1.300, r2=1.800, r3=4.570, r4= 5.070,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 34 LYS+ HA 35 MET HN 1.800 4.450
&rst iat= 500, 520, r1=1.300, r2=1.800, r3=4.450, r4= 4.950,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 34 LYS+ HB2 35 MET HN 1.800 5.250
&rst iat= 502, 520, r1=1.300, r2=1.800, r3=5.250, r4= 5.750,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 35 MET HN 35 MET HB2 1.800 5.220
&rst iat= 520, 524, r1=1.300, r2=1.800, r3=5.220, r4= 5.720,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 35 MET HN 35 MET HB3 1.800 4.200
&rst iat= 520, 525, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 35 MET HN 36 THR HN 1.800 3.330
&rst iat= 520, 539, r1=1.300, r2=1.800, r3=3.330, r4= 3.830,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 36 THR HN 36 THR HA 1.800 4.420
&rst iat= 539, 541, r1=1.300, r2=1.800, r3=4.420, r4= 4.920,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 36 THR HN 36 THR HB 1.800 5.220
&rst iat= 539, 543, r1=1.300, r2=1.800, r3=5.220, r4= 5.720,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 36 THR HN 37 GLN HA 1.800 5.500
&rst iat= 539, 555, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 34 LYS+ HA 36 THR HN 1.800 4.760
&rst iat= 500, 539, r1=1.300, r2=1.800, r3=4.760, r4= 5.260,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 36 THR HN 37 GLN HB2 1.800 5.500
&rst iat= 539, 557, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 35 MET HB2 36 THR HN 1.800 4.940
&rst iat= 524, 539, r1=1.300, r2=1.800, r3=4.940, r4= 5.440,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 36 THR HN 37 GLN HN 1.800 3.450
&rst iat= 539, 553, r1=1.300, r2=1.800, r3=3.450, r4= 3.950,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 37 GLN HN 37 GLN HA 1.800 4.040
&rst iat= 553, 555, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 36 THR HA 37 GLN HN 1.800 4.260
&rst iat= 541, 553, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 34 LYS+ HA 37 GLN HN 1.800 5.500
&rst iat= 500, 553, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 37 GLN HN 37 GLN HB2 1.800 3.050
&rst iat= 553, 557, r1=1.300, r2=1.800, r3=3.050, r4= 3.550,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 38 GLY HN 38 GLY HA2 1.800 4.600
&rst iat= 570, 573, r1=1.300, r2=1.800, r3=4.600, r4= 5.100,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 38 GLY HN 38 GLY HA1 1.800 4.910
&rst iat= 570, 572, r1=1.300, r2=1.800, r3=4.910, r4= 5.410,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 37 GLN HA 38 GLY HN 1.800 4.200
&rst iat= 555, 570, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 37 GLN HB2 38 GLY HN 1.800 5.500
&rst iat= 557, 570, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 38 GLY HN 39 LYS+ HN 1.800 5.250
&rst iat= 570, 577, r1=1.300, r2=1.800, r3=5.250, r4= 5.750,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 39 LYS+ HN 40 CYSS HN 1.800 5.310
&rst iat= 577, 599, r1=1.300, r2=1.800, r3=5.310, r4= 5.810,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 39 LYS+ HN 39 LYS+ HA 1.800 3.920
&rst iat= 577, 579, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 38 GLY HA2 39 LYS+ HN 1.800 4.790
&rst iat= 573, 577, r1=1.300, r2=1.800, r3=4.790, r4= 5.290,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 38 GLY HA1 39 LYS+ HN 1.800 4.290
&rst iat= 572, 577, r1=1.300, r2=1.800, r3=4.290, r4= 4.790,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 37 GLN HA 39 LYS+ HN 1.800 5.500
&rst iat= 555, 577, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 36 THR HA 39 LYS+ HN 1.800 5.500
&rst iat= 541, 577, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 37 GLN HB2 39 LYS+ HN 1.800 5.500
&rst iat= 557, 577, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 39 LYS+ HN 39 LYS+ HB3 1.800 4.540
&rst iat= 577, 582, r1=1.300, r2=1.800, r3=4.540, r4= 5.040,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 39 LYS+ HN 39 LYS+ HB2 1.800 4.660
&rst iat= 577, 581, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 40 CYSS HN 40 CYSS HA 1.800 4.350
&rst iat= 599, 601, r1=1.300, r2=1.800, r3=4.350, r4= 4.850,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 36 THR HA 40 CYSS HN 1.800 5.500
&rst iat= 541, 599, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 39 LYS+ HA 40 CYSS HN 1.800 3.610
&rst iat= 579, 599, r1=1.300, r2=1.800, r3=3.610, r4= 4.110,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 40 CYSS HN 40 CYSS HB2 1.800 4.690
&rst iat= 599, 603, r1=1.300, r2=1.800, r3=4.690, r4= 5.190,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 40 CYSS HN 40 CYSS HB3 1.800 3.610
&rst iat= 599, 604, r1=1.300, r2=1.800, r3=3.610, r4= 4.110,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 39 LYS+ HB2 40 CYSS HN 1.800 4.350
&rst iat= 581, 599, r1=1.300, r2=1.800, r3=4.350, r4= 4.850,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 39 LYS+ HB3 40 CYSS HN 1.800 3.860
&rst iat= 582, 599, r1=1.300, r2=1.800, r3=3.860, r4= 4.360,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 40 CYSS HA 41 LYS+ HN 1.800 3.580
&rst iat= 601, 611, r1=1.300, r2=1.800, r3=3.580, r4= 4.080,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 36 THR HA 41 LYS+ HN 1.800 4.910
&rst iat= 541, 611, r1=1.300, r2=1.800, r3=4.910, r4= 5.410,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 41 LYS+ HN 41 LYS+ HA 1.800 4.570
&rst iat= 611, 613, r1=1.300, r2=1.800, r3=4.570, r4= 5.070,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 40 CYSS HB2 41 LYS+ HN 1.800 5.190
&rst iat= 603, 611, r1=1.300, r2=1.800, r3=5.190, r4= 5.690,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 41 LYS+ HN 41 LYS+ HB2 1.800 3.580
&rst iat= 611, 615, r1=1.300, r2=1.800, r3=3.580, r4= 4.080,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 43 VAL HN 43 VAL HA 1.800 4.070
&rst iat= 647, 649, r1=1.300, r2=1.800, r3=4.070, r4= 4.570,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 42 PRO HA 43 VAL HN 1.800 4.140
&rst iat= 643, 647, r1=1.300, r2=1.800, r3=4.140, r4= 4.640,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 43 VAL HN 43 VAL HB 1.800 3.790
&rst iat= 647, 651, r1=1.300, r2=1.800, r3=3.790, r4= 4.290,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 42 PRO HB2 43 VAL HN 1.800 4.970
&rst iat= 640, 647, r1=1.300, r2=1.800, r3=4.970, r4= 5.470,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 43 VAL HN 44 ASN HN 1.800 5.470
&rst iat= 647, 663, r1=1.300, r2=1.800, r3=5.470, r4= 5.970,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 44 ASN HN 44 ASN HA 1.800 4.230
&rst iat= 663, 665, r1=1.300, r2=1.800, r3=4.230, r4= 4.730,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 44 ASN HN 44 ASN HB2 1.800 5.220
&rst iat= 663, 667, r1=1.300, r2=1.800, r3=5.220, r4= 5.720,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 44 ASN HN 44 ASN HB3 1.800 4.260
&rst iat= 663, 668, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 44 ASN HN 83 ASP- HA 1.800 5.500
&rst iat= 663, 1274, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 44 ASN HN 45 THR HN 1.800 5.500
&rst iat= 663, 677, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 44 ASN HA 45 THR HN 1.800 3.450
&rst iat= 665, 677, r1=1.300, r2=1.800, r3=3.450, r4= 3.950,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 45 THR HN 45 THR HB 1.800 4.200
&rst iat= 677, 681, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 44 ASN HB2 45 THR HN 1.800 5.500
&rst iat= 667, 677, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 46 PHE HN 46 PHE HB2 1.800 5.040
&rst iat= 691, 695, r1=1.300, r2=1.800, r3=5.040, r4= 5.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 46 PHE HN 81 ILE HA 1.800 5.500
&rst iat= 691, 1241, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 82 THR HN 82 THR HA 1.800 4.850
&rst iat=1258, 1260, r1=1.300, r2=1.800, r3=4.850, r4= 5.350,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 46 PHE HA 47 VAL HN 1.800 3.920
&rst iat= 693, 711, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 47 VAL HN 47 VAL HA 1.800 5.000
&rst iat= 711, 713, r1=1.300, r2=1.800, r3=5.000, r4= 5.500,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 47 VAL HN 47 VAL HB 1.800 3.950
&rst iat= 711, 715, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 48 HIS+ HN 49 GLU- HN 1.800 4.820
&rst iat= 727, 745, r1=1.300, r2=1.800, r3=4.820, r4= 5.320,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 47 VAL HA 48 HIS+ HN 1.800 4.010
&rst iat= 713, 727, r1=1.300, r2=1.800, r3=4.010, r4= 4.510,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 48 HIS+ HN 81 ILE HA 1.800 5.280
&rst iat= 727, 1241, r1=1.300, r2=1.800, r3=5.280, r4= 5.780,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 48 HIS+ HN 48 HIS+ HB3 1.800 5.410
&rst iat= 727, 732, r1=1.300, r2=1.800, r3=5.410, r4= 5.910,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 48 HIS+ HN 48 HIS+ HB2 1.800 5.470
&rst iat= 727, 731, r1=1.300, r2=1.800, r3=5.470, r4= 5.970,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 48 HIS+ HN 48 HIS+ HA 1.800 5.380
&rst iat= 727, 729, r1=1.300, r2=1.800, r3=5.380, r4= 5.880,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 48 HIS+ HA 49 GLU- HN 1.800 4.660
&rst iat= 729, 745, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 49 GLU- HN 49 GLU- HA 1.800 4.570
&rst iat= 745, 747, r1=1.300, r2=1.800, r3=4.570, r4= 5.070,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 15 SER HA 49 GLU- HN 1.800 4.910
&rst iat= 231, 745, r1=1.300, r2=1.800, r3=4.910, r4= 5.410,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 49 GLU- HN 49 GLU- HB2 1.800 4.290
&rst iat= 745, 749, r1=1.300, r2=1.800, r3=4.290, r4= 4.790,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 49 GLU- HN 50 SER HN 1.800 5.500
&rst iat= 745, 760, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 50 SER HN 51 LEU HN 1.800 5.500
&rst iat= 760, 771, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 50 SER HN 50 SER HA 1.800 5.250
&rst iat= 760, 762, r1=1.300, r2=1.800, r3=5.250, r4= 5.750,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 49 GLU- HA 50 SER HN 1.800 3.520
&rst iat= 747, 760, r1=1.300, r2=1.800, r3=3.520, r4= 4.020,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 50 SER HN 50 SER HB3 1.800 4.140
&rst iat= 760, 765, r1=1.300, r2=1.800, r3=4.140, r4= 4.640,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 50 SER HN 50 SER HB2 1.800 5.500
&rst iat= 760, 764, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 50 SER HN 53 ASP- HB2 1.800 4.880
&rst iat= 760, 804, r1=1.300, r2=1.800, r3=4.880, r4= 5.380,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 50 SER HN 53 ASP- HB3 1.800 5.500
&rst iat= 760, 805, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 49 GLU- HB2 50 SER HN 1.800 4.720
&rst iat= 749, 760, r1=1.300, r2=1.800, r3=4.720, r4= 5.220,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 51 LEU HN 52 ALA HN 1.800 4.010
&rst iat= 771, 790, r1=1.300, r2=1.800, r3=4.010, r4= 4.510,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 51 LEU HN 53 ASP- HN 1.800 5.500
&rst iat= 771, 800, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 51 LEU HN 51 LEU HA 1.800 3.980
&rst iat= 771, 773, r1=1.300, r2=1.800, r3=3.980, r4= 4.480,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 50 SER HA 51 LEU HN 1.800 3.420
&rst iat= 762, 771, r1=1.300, r2=1.800, r3=3.420, r4= 3.920,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 13 MET HB2 14 ASP- HN 1.800 5.500
&rst iat= 202, 217, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 51 LEU HN 51 LEU HB2 1.800 3.480
&rst iat= 771, 775, r1=1.300, r2=1.800, r3=3.480, r4= 3.980,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 51 LEU HA 52 ALA HN 1.800 4.420
&rst iat= 773, 790, r1=1.300, r2=1.800, r3=4.420, r4= 4.920,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 52 ALA HN 52 ALA HA 1.800 3.420
&rst iat= 790, 792, r1=1.300, r2=1.800, r3=3.420, r4= 3.920,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 50 SER HA 52 ALA HN 1.800 5.500
&rst iat= 762, 790, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 50 SER HB2 52 ALA HN 1.800 5.000
&rst iat= 764, 790, r1=1.300, r2=1.800, r3=5.000, r4= 5.500,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 51 LEU HB2 52 ALA HN 1.800 4.540
&rst iat= 775, 790, r1=1.300, r2=1.800, r3=4.540, r4= 5.040,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 52 ALA HN 53 ASP- HN 1.800 4.200
&rst iat= 790, 800, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 53 ASP- HN 55 LYS+ HN 1.800 5.500
&rst iat= 800, 828, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 52 ALA HN 54 VAL HN 1.800 5.500
&rst iat= 790, 812, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 53 ASP- HN 53 ASP- HA 1.800 4.010
&rst iat= 800, 802, r1=1.300, r2=1.800, r3=4.010, r4= 4.510,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 52 ALA HA 53 ASP- HN 1.800 4.880
&rst iat= 792, 800, r1=1.300, r2=1.800, r3=4.880, r4= 5.380,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 53 ASP- HN 53 ASP- HB2 1.800 3.950
&rst iat= 800, 804, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 50 SER HA 53 ASP- HN 1.800 5.500
&rst iat= 762, 800, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 51 LEU HA 54 VAL HN 1.800 4.690
&rst iat= 773, 812, r1=1.300, r2=1.800, r3=4.690, r4= 5.190,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 53 ASP- HA 54 VAL HN 1.800 5.100
&rst iat= 802, 812, r1=1.300, r2=1.800, r3=5.100, r4= 5.600,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 54 VAL HN 55 LYS+ HB2 1.800 5.500
&rst iat= 812, 832, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 53 ASP- HB3 54 VAL HN 1.800 5.190
&rst iat= 805, 812, r1=1.300, r2=1.800, r3=5.190, r4= 5.690,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 53 ASP- HB2 54 VAL HN 1.800 4.820
&rst iat= 804, 812, r1=1.300, r2=1.800, r3=4.820, r4= 5.320,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 54 VAL HN 55 LYS+ HN 1.800 3.580
&rst iat= 812, 828, r1=1.300, r2=1.800, r3=3.580, r4= 4.080,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 54 VAL HA 55 LYS+ HN 1.800 5.130
&rst iat= 814, 828, r1=1.300, r2=1.800, r3=5.130, r4= 5.630,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 55 LYS+ HN 55 LYS+ HB3 1.800 3.550
&rst iat= 828, 833, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 54 VAL HN 56 ALA HN 1.800 5.500
&rst iat= 812, 850, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 55 LYS+ HN 56 ALA HN 1.800 3.550
&rst iat= 828, 850, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 56 ALA HN 56 ALA HA 1.800 3.730
&rst iat= 850, 852, r1=1.300, r2=1.800, r3=3.730, r4= 4.230,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 53 ASP- HA 56 ALA HN 1.800 4.720
&rst iat= 802, 850, r1=1.300, r2=1.800, r3=4.720, r4= 5.220,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 55 LYS+ HA 56 ALA HN 1.800 4.910
&rst iat= 830, 850, r1=1.300, r2=1.800, r3=4.910, r4= 5.410,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 54 VAL HA 56 ALA HN 1.800 5.500
&rst iat= 814, 850, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 55 LYS+ HB3 56 ALA HN 1.800 4.200
&rst iat= 833, 850, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 57 VAL HN 58 CYSS HN 1.800 3.920
&rst iat= 860, 876, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 57 VAL HN 59 SER HN 1.800 5.500
&rst iat= 860, 888, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 55 LYS+ HN 57 VAL HN 1.800 5.500
&rst iat= 828, 860, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 57 VAL HN 57 VAL HB 1.800 3.080
&rst iat= 860, 864, r1=1.300, r2=1.800, r3=3.080, r4= 3.580,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 56 ALA HA 57 VAL HN 1.800 4.720
&rst iat= 852, 860, r1=1.300, r2=1.800, r3=4.720, r4= 5.220,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 56 ALA HA 58 CYSS HN 1.800 5.440
&rst iat= 852, 876, r1=1.300, r2=1.800, r3=5.440, r4= 5.940,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 55 LYS+ HA 58 CYSS HN 1.800 5.500
&rst iat= 830, 876, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 54 VAL HA 58 CYSS HN 1.800 5.500
&rst iat= 814, 876, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 58 CYSS HN 58 CYSS HB3 1.800 3.790
&rst iat= 876, 881, r1=1.300, r2=1.800, r3=3.790, r4= 4.290,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 57 VAL HB 58 CYSS HN 1.800 4.570
&rst iat= 864, 876, r1=1.300, r2=1.800, r3=4.570, r4= 5.070,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 59 SER HN 60 GLN HN 1.800 3.520
&rst iat= 888, 899, r1=1.300, r2=1.800, r3=3.520, r4= 4.020,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 58 CYSS HN 59 SER HN 1.800 3.670
&rst iat= 876, 888, r1=1.300, r2=1.800, r3=3.670, r4= 4.170,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 59 SER HN 59 SER HA 1.800 3.980
&rst iat= 888, 890, r1=1.300, r2=1.800, r3=3.980, r4= 4.480,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 58 CYSS HA 59 SER HN 1.800 4.880
&rst iat= 878, 888, r1=1.300, r2=1.800, r3=4.880, r4= 5.380,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 57 VAL HA 59 SER HN 1.800 4.910
&rst iat= 862, 888, r1=1.300, r2=1.800, r3=4.910, r4= 5.410,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 56 ALA HA 59 SER HN 1.800 4.820
&rst iat= 852, 888, r1=1.300, r2=1.800, r3=4.820, r4= 5.320,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 59 SER HN 59 SER HB2 1.800 4.320
&rst iat= 888, 892, r1=1.300, r2=1.800, r3=4.320, r4= 4.820,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 59 SER HN 59 SER HB3 1.800 4.480
&rst iat= 888, 893, r1=1.300, r2=1.800, r3=4.480, r4= 4.980,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 58 CYSS HB2 59 SER HN 1.800 4.820
&rst iat= 880, 888, r1=1.300, r2=1.800, r3=4.820, r4= 5.320,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 58 CYSS HB3 59 SER HN 1.800 5.250
&rst iat= 881, 888, r1=1.300, r2=1.800, r3=5.250, r4= 5.750,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 59 SER HN 60 GLN HB2 1.800 5.500
&rst iat= 888, 903, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 60 GLN HN 61 LYS+ HN 1.800 4.790
&rst iat= 899, 916, r1=1.300, r2=1.800, r3=4.790, r4= 5.290,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 58 CYSS HN 60 GLN HN 1.800 5.340
&rst iat= 876, 899, r1=1.300, r2=1.800, r3=5.340, r4= 5.840,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 59 SER HA 60 GLN HN 1.800 3.860
&rst iat= 890, 899, r1=1.300, r2=1.800, r3=3.860, r4= 4.360,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 59 SER HB3 60 GLN HN 1.800 5.500
&rst iat= 893, 899, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 58 CYSS HA 60 GLN HN 1.800 5.500
&rst iat= 878, 899, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 57 VAL HA 60 GLN HN 1.800 4.820
&rst iat= 862, 899, r1=1.300, r2=1.800, r3=4.820, r4= 5.320,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 60 GLN HN 60 GLN HB2 1.800 3.330
&rst iat= 899, 903, r1=1.300, r2=1.800, r3=3.330, r4= 3.830,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 58 CYSS HB3 60 GLN HN 1.800 5.500
&rst iat= 881, 899, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 61 LYS+ HN 62 LYS+ HN 1.800 5.500
&rst iat= 916, 938, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 61 LYS+ HN 74 GLN HN 1.800 5.130
&rst iat= 916, 1121, r1=1.300, r2=1.800, r3=5.130, r4= 5.630,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 63 VAL HN 74 GLN HN 1.800 5.500
&rst iat= 960, 1121, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 61 LYS+ HN 76 LYS+ HN 1.800 5.500
&rst iat= 916, 1149, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 61 LYS+ HN 61 LYS+ HA 1.800 4.450
&rst iat= 916, 918, r1=1.300, r2=1.800, r3=4.450, r4= 4.950,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 60 GLN HA 61 LYS+ HN 1.800 4.480
&rst iat= 901, 916, r1=1.300, r2=1.800, r3=4.480, r4= 4.980,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 61 LYS+ HN 61 LYS+ HB2 1.800 4.070
&rst iat= 916, 920, r1=1.300, r2=1.800, r3=4.070, r4= 4.570,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 61 LYS+ HN 61 LYS+ HB3 1.800 3.640
&rst iat= 916, 921, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 57 VAL HA 61 LYS+ HN 1.800 5.500
&rst iat= 862, 916, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 60 GLN HB2 61 LYS+ HN 1.800 4.260
&rst iat= 903, 916, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 62 LYS+ HN 62 LYS+ HA 1.800 3.730
&rst iat= 938, 940, r1=1.300, r2=1.800, r3=3.730, r4= 4.230,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 61 LYS+ HA 62 LYS+ HN 1.800 3.020
&rst iat= 918, 938, r1=1.300, r2=1.800, r3=3.020, r4= 3.520,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 62 LYS+ HN 62 LYS+ HB3 1.800 3.700
&rst iat= 938, 943, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 62 LYS+ HN 62 LYS+ HB2 1.800 3.830
&rst iat= 938, 942, r1=1.300, r2=1.800, r3=3.830, r4= 4.330,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 61 LYS+ HB2 62 LYS+ HN 1.800 5.500
&rst iat= 920, 938, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 61 LYS+ HB3 62 LYS+ HN 1.800 5.160
&rst iat= 921, 938, r1=1.300, r2=1.800, r3=5.160, r4= 5.660,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 63 VAL HN 72 CYSS HN 1.800 5.500
&rst iat= 960, 1088, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 63 VAL HN 63 VAL HA 1.800 4.420
&rst iat= 960, 962, r1=1.300, r2=1.800, r3=4.420, r4= 4.920,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 63 VAL HN 73 TYR HA 1.800 4.320
&rst iat= 960, 1102, r1=1.300, r2=1.800, r3=4.320, r4= 4.820,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 63 VAL HN 63 VAL HB 1.800 5.040
&rst iat= 960, 964, r1=1.300, r2=1.800, r3=5.040, r4= 5.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 62 LYS+ HB2 63 VAL HN 1.800 4.540
&rst iat= 942, 960, r1=1.300, r2=1.800, r3=4.540, r4= 5.040,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 64 THR HN 64 THR HA 1.800 4.260
&rst iat= 976, 978, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 63 VAL HA 64 THR HN 1.800 3.610
&rst iat= 962, 976, r1=1.300, r2=1.800, r3=3.610, r4= 4.110,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 64 THR HN 64 THR HB 1.800 3.700
&rst iat= 976, 980, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 63 VAL HB 64 THR HN 1.800 3.050
&rst iat= 964, 976, r1=1.300, r2=1.800, r3=3.050, r4= 3.550,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 64 THR HN 65 CYSS HN 1.800 5.500
&rst iat= 976, 990, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 65 CYSS HN 65 CYSS HA 1.800 4.320
&rst iat= 990, 992, r1=1.300, r2=1.800, r3=4.320, r4= 4.820,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 65 CYSS HN 65 CYSS HB2 1.800 4.450
&rst iat= 990, 994, r1=1.300, r2=1.800, r3=4.450, r4= 4.950,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 65 CYSS HN 65 CYSS HB3 1.800 3.830
&rst iat= 990, 995, r1=1.300, r2=1.800, r3=3.830, r4= 4.330,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 64 THR HB 65 CYSS HN 1.800 5.070
&rst iat= 980, 990, r1=1.300, r2=1.800, r3=5.070, r4= 5.570,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 64 THR HA 65 CYSS HN 1.800 3.520
&rst iat= 978, 990, r1=1.300, r2=1.800, r3=3.520, r4= 4.020,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 65 CYSS HN 66 LYS+ HN 1.800 5.500
&rst iat= 990, 1002, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 66 LYS+ HN 66 LYS+ HA 1.800 4.230
&rst iat=1002, 1004, r1=1.300, r2=1.800, r3=4.230, r4= 4.730,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 65 CYSS HA 66 LYS+ HN 1.800 3.550
&rst iat= 992, 1002, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 65 CYSS HB2 66 LYS+ HN 1.800 4.010
&rst iat= 994, 1002, r1=1.300, r2=1.800, r3=4.010, r4= 4.510,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 65 CYSS HB3 66 LYS+ HN 1.800 4.660
&rst iat= 995, 1002, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 66 LYS+ HN 66 LYS+ HB2 1.800 4.170
&rst iat=1002, 1006, r1=1.300, r2=1.800, r3=4.170, r4= 4.670,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 66 LYS+ HN 66 LYS+ HB3 1.800 4.600
&rst iat=1002, 1007, r1=1.300, r2=1.800, r3=4.600, r4= 5.100,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 65 CYSS HN 67 ASP- HN 1.800 5.500
&rst iat= 990, 1024, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 65 CYSS HN 68 GLY HN 1.800 5.500
&rst iat= 990, 1036, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 66 LYS+ HN 67 ASP- HN 1.800 4.230
&rst iat=1002, 1024, r1=1.300, r2=1.800, r3=4.230, r4= 4.730,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 67 ASP- HN 67 ASP- HA 1.800 4.660
&rst iat=1024, 1026, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 67 ASP- HN 67 ASP- HB3 1.800 3.670
&rst iat=1024, 1029, r1=1.300, r2=1.800, r3=3.670, r4= 4.170,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 67 ASP- HN 67 ASP- HB2 1.800 4.260
&rst iat=1024, 1028, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 66 LYS+ HA 67 ASP- HN 1.800 4.720
&rst iat=1004, 1024, r1=1.300, r2=1.800, r3=4.720, r4= 5.220,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 65 CYSS HB2 67 ASP- HN 1.800 3.610
&rst iat= 994, 1024, r1=1.300, r2=1.800, r3=3.610, r4= 4.110,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 65 CYSS HB3 67 ASP- HN 1.800 4.380
&rst iat= 995, 1024, r1=1.300, r2=1.800, r3=4.380, r4= 4.880,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 66 LYS+ HB2 67 ASP- HN 1.800 4.570
&rst iat=1006, 1024, r1=1.300, r2=1.800, r3=4.570, r4= 5.070,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 66 LYS+ HB3 67 ASP- HN 1.800 4.720
&rst iat=1007, 1024, r1=1.300, r2=1.800, r3=4.720, r4= 5.220,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 68 GLY HN 68 GLY HA1 1.800 3.700
&rst iat=1036, 1038, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 68 GLY HN 68 GLY HA2 1.800 3.360
&rst iat=1036, 1039, r1=1.300, r2=1.800, r3=3.360, r4= 3.860,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 67 ASP- HA 68 GLY HN 1.800 4.420
&rst iat=1026, 1036, r1=1.300, r2=1.800, r3=4.420, r4= 4.920,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 66 LYS+ HA 68 GLY HN 1.800 5.250
&rst iat=1004, 1036, r1=1.300, r2=1.800, r3=5.250, r4= 5.750,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 67 ASP- HB2 68 GLY HN 1.800 5.500
&rst iat=1028, 1036, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 68 GLY HN 69 GLN HB2 1.800 5.500
&rst iat=1036, 1047, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 69 GLN HN 69 GLN HA 1.800 4.420
&rst iat=1043, 1045, r1=1.300, r2=1.800, r3=4.420, r4= 4.920,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 68 GLY HA2 69 GLN HN 1.800 5.500
&rst iat=1039, 1043, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 68 GLY HA1 69 GLN HN 1.800 5.100
&rst iat=1038, 1043, r1=1.300, r2=1.800, r3=5.100, r4= 5.600,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 67 ASP- HA 69 GLN HN 1.800 5.500
&rst iat=1026, 1043, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 69 GLN HN 69 GLN HB2 1.800 4.170
&rst iat=1043, 1047, r1=1.300, r2=1.800, r3=4.170, r4= 4.670,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 69 GLN HN 69 GLN HB3 1.800 3.950
&rst iat=1043, 1048, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 65 CYSS HB3 69 GLN HN 1.800 4.790
&rst iat= 995, 1043, r1=1.300, r2=1.800, r3=4.790, r4= 5.290,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 69 GLN HN 70 THR HN 1.800 4.760
&rst iat=1043, 1060, r1=1.300, r2=1.800, r3=4.760, r4= 5.260,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 70 THR HN 71 ASN HN 1.800 5.250
&rst iat=1060, 1074, r1=1.300, r2=1.800, r3=5.250, r4= 5.750,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 70 THR HN 70 THR HA 1.800 5.280
&rst iat=1060, 1062, r1=1.300, r2=1.800, r3=5.280, r4= 5.780,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 69 GLN HA 70 THR HN 1.800 4.350
&rst iat=1045, 1060, r1=1.300, r2=1.800, r3=4.350, r4= 4.850,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 70 THR HN 70 THR HB 1.800 4.100
&rst iat=1060, 1064, r1=1.300, r2=1.800, r3=4.100, r4= 4.600,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 69 GLN HB2 70 THR HN 1.800 4.510
&rst iat=1047, 1060, r1=1.300, r2=1.800, r3=4.510, r4= 5.010,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 69 GLN HB3 70 THR HN 1.800 5.500
&rst iat=1048, 1060, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 71 ASN HN 72 CYSS HN 1.800 5.250
&rst iat=1074, 1088, r1=1.300, r2=1.800, r3=5.250, r4= 5.750,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 71 ASN HN 71 ASN HA 1.800 4.600
&rst iat=1074, 1076, r1=1.300, r2=1.800, r3=4.600, r4= 5.100,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 70 THR HA 71 ASN HN 1.800 4.200
&rst iat=1062, 1074, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 70 THR HB 71 ASN HN 1.800 4.940
&rst iat=1064, 1074, r1=1.300, r2=1.800, r3=4.940, r4= 5.440,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 71 ASN HN 71 ASN HB2 1.800 4.850
&rst iat=1074, 1078, r1=1.300, r2=1.800, r3=4.850, r4= 5.350,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 71 ASN HN 71 ASN HB3 1.800 5.160
&rst iat=1074, 1079, r1=1.300, r2=1.800, r3=5.160, r4= 5.660,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 72 CYSS HN 72 CYSS HA 1.800 5.310
&rst iat=1088, 1090, r1=1.300, r2=1.800, r3=5.310, r4= 5.810,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 71 ASN HA 72 CYSS HN 1.800 3.920
&rst iat=1076, 1088, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 72 CYSS HN 72 CYSS HB2 1.800 5.500
&rst iat=1088, 1092, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 72 CYSS HN 72 CYSS HB3 1.800 5.190
&rst iat=1088, 1093, r1=1.300, r2=1.800, r3=5.190, r4= 5.690,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 72 CYSS HA 73 TYR HN 1.800 3.890
&rst iat=1090, 1100, r1=1.300, r2=1.800, r3=3.890, r4= 4.390,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 72 CYSS HB2 73 TYR HN 1.800 4.660
&rst iat=1092, 1100, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 72 CYSS HB3 73 TYR HN 1.800 4.260
&rst iat=1093, 1100, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 74 GLN HN 75 SER HN 1.800 5.500
&rst iat=1121, 1138, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 74 GLN HN 107 ILE HA 1.800 5.500
&rst iat=1121, 1651, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 73 TYR HA 74 GLN HN 1.800 2.990
&rst iat=1102, 1121, r1=1.300, r2=1.800, r3=2.990, r4= 3.490,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 73 TYR HB2 74 GLN HN 1.800 4.850
&rst iat=1104, 1121, r1=1.300, r2=1.800, r3=4.850, r4= 5.350,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 74 GLN HN 74 GLN HB3 1.800 3.890
&rst iat=1121, 1126, r1=1.300, r2=1.800, r3=3.890, r4= 4.390,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 75 SER HN 76 LYS+ HN 1.800 5.500
&rst iat=1138, 1149, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 75 SER HN 75 SER HA 1.800 4.540
&rst iat=1138, 1140, r1=1.300, r2=1.800, r3=4.540, r4= 5.040,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 74 GLN HB2 75 SER HN 1.800 4.200
&rst iat=1125, 1138, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 74 GLN HB3 75 SER HN 1.800 5.500
&rst iat=1126, 1138, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 76 LYS+ HN 77 SER HN 1.800 3.640
&rst iat=1149, 1171, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 76 LYS+ HN 76 LYS+ HA 1.800 3.920
&rst iat=1149, 1151, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 75 SER HA 76 LYS+ HN 1.800 3.300
&rst iat=1140, 1149, r1=1.300, r2=1.800, r3=3.300, r4= 3.800,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 75 SER HB2 76 LYS+ HN 1.800 4.690
&rst iat=1142, 1149, r1=1.300, r2=1.800, r3=4.690, r4= 5.190,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 76 LYS+ HN 76 LYS+ HB2 1.800 3.520
&rst iat=1149, 1153, r1=1.300, r2=1.800, r3=3.520, r4= 4.020,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 77 SER HN 77 SER HA 1.800 4.200
&rst iat=1171, 1173, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 76 LYS+ HA 77 SER HN 1.800 4.660
&rst iat=1151, 1171, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 77 SER HN 77 SER HB3 1.800 3.730
&rst iat=1171, 1176, r1=1.300, r2=1.800, r3=3.730, r4= 4.230,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 77 SER HN 77 SER HB2 1.800 4.480
&rst iat=1171, 1175, r1=1.300, r2=1.800, r3=4.480, r4= 4.980,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 75 SER HA 77 SER HN 1.800 4.660
&rst iat=1140, 1171, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 76 LYS+ HB2 77 SER HN 1.800 3.520
&rst iat=1153, 1171, r1=1.300, r2=1.800, r3=3.520, r4= 4.020,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 77 SER HN 78 THR HN 1.800 5.190
&rst iat=1171, 1182, r1=1.300, r2=1.800, r3=5.190, r4= 5.690,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 78 THR HN 78 THR HA 1.800 4.230
&rst iat=1182, 1184, r1=1.300, r2=1.800, r3=4.230, r4= 4.730,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 78 THR HN 78 THR HB 1.800 4.540
&rst iat=1182, 1186, r1=1.300, r2=1.800, r3=4.540, r4= 5.040,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 77 SER HB3 78 THR HN 1.800 4.350
&rst iat=1176, 1182, r1=1.300, r2=1.800, r3=4.350, r4= 4.850,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 77 SER HB2 78 THR HN 1.800 3.980
&rst iat=1175, 1182, r1=1.300, r2=1.800, r3=3.980, r4= 4.480,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 77 SER HA 78 THR HN 1.800 3.390
&rst iat=1173, 1182, r1=1.300, r2=1.800, r3=3.390, r4= 3.890,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 79 MET HN 104 LYS+ HN 1.800 4.100
&rst iat=1196, 1590, r1=1.300, r2=1.800, r3=4.100, r4= 4.600,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 79 MET HN 80 ARG+ HN 1.800 5.500
&rst iat=1196, 1215, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 78 THR HN 79 MET HN 1.800 5.500
&rst iat=1182, 1196, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 79 MET HN 104 LYS+ HA 1.800 4.660
&rst iat=1196, 1592, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 79 MET HN 79 MET HB2 1.800 4.200
&rst iat=1196, 1200, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 79 MET HN 105 HIS+ HA 1.800 5.040
&rst iat=1196, 1614, r1=1.300, r2=1.800, r3=5.040, r4= 5.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 80 ARG+ HN 80 ARG+ HA 1.800 4.880
&rst iat=1215, 1217, r1=1.300, r2=1.800, r3=4.880, r4= 5.380,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 79 MET HA 80 ARG+ HN 1.800 3.450
&rst iat=1198, 1215, r1=1.300, r2=1.800, r3=3.450, r4= 3.950,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 80 ARG+ HN 80 ARG+ HB2 1.800 3.830
&rst iat=1215, 1219, r1=1.300, r2=1.800, r3=3.830, r4= 4.330,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 81 ILE HN 104 LYS+ HN 1.800 5.410
&rst iat=1239, 1590, r1=1.300, r2=1.800, r3=5.410, r4= 5.910,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 81 ILE HN 81 ILE HA 1.800 4.970
&rst iat=1239, 1241, r1=1.300, r2=1.800, r3=4.970, r4= 5.470,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 80 ARG+ HA 81 ILE HN 1.800 3.300
&rst iat=1217, 1239, r1=1.300, r2=1.800, r3=3.300, r4= 3.800,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 103 GLU- HN 103 GLU- HA 1.800 4.260
&rst iat=1575, 1577, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 81 ILE HN 81 ILE HB 1.800 4.600
&rst iat=1239, 1243, r1=1.300, r2=1.800, r3=4.600, r4= 5.100,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 81 ILE HN 82 THR HN 1.800 5.220
&rst iat=1239, 1258, r1=1.300, r2=1.800, r3=5.220, r4= 5.720,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 45 THR HA 82 THR HN 1.800 5.500
&rst iat= 679, 1258, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 83 ASP- HN 84 CYSS HN 1.800 5.500
&rst iat=1272, 1284, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 83 ASP- HN 102 VAL HN 1.800 5.500
&rst iat=1272, 1559, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 83 ASP- HN 100 THR HN 1.800 4.820
&rst iat=1272, 1528, r1=1.300, r2=1.800, r3=4.820, r4= 5.320,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 83 ASP- HN 83 ASP- HA 1.800 3.450
&rst iat=1272, 1274, r1=1.300, r2=1.800, r3=3.450, r4= 3.950,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 101 GLN HN 101 GLN HA 1.800 4.570
&rst iat=1542, 1544, r1=1.300, r2=1.800, r3=4.570, r4= 5.070,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 83 ASP- HN 101 GLN HA 1.800 4.790
&rst iat=1272, 1544, r1=1.300, r2=1.800, r3=4.790, r4= 5.290,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 83 ASP- HN 83 ASP- HB2 1.800 4.910
&rst iat=1272, 1276, r1=1.300, r2=1.800, r3=4.910, r4= 5.410,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 83 ASP- HN 83 ASP- HB3 1.800 4.380
&rst iat=1272, 1277, r1=1.300, r2=1.800, r3=4.380, r4= 4.880,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 83 ASP- HA 84 CYSS HN 1.800 3.420
&rst iat=1274, 1284, r1=1.300, r2=1.800, r3=3.420, r4= 3.920,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 45 THR HA 84 CYSS HN 1.800 5.000
&rst iat= 679, 1284, r1=1.300, r2=1.800, r3=5.000, r4= 5.500,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 84 CYSS HN 85 ARG+ HN 1.800 5.500
&rst iat=1284, 1296, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 85 ARG+ HN 98 LYS+ HN 1.800 4.480
&rst iat=1296, 1492, r1=1.300, r2=1.800, r3=4.480, r4= 4.980,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 84 CYSS HA 85 ARG+ HN 1.800 3.170
&rst iat=1286, 1296, r1=1.300, r2=1.800, r3=3.170, r4= 3.670,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 85 ARG+ HN 85 ARG+ HA 1.800 4.790
&rst iat=1296, 1298, r1=1.300, r2=1.800, r3=4.790, r4= 5.290,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 85 ARG+ HN 99 THR HA 1.800 5.500
&rst iat=1296, 1516, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 85 ARG+ HN 97 TYR HA 1.800 5.500
&rst iat=1296, 1473, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 85 ARG+ HN 85 ARG+ HB2 1.800 4.760
&rst iat=1296, 1300, r1=1.300, r2=1.800, r3=4.760, r4= 5.260,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 85 ARG+ HN 85 ARG+ HB3 1.800 4.540
&rst iat=1296, 1301, r1=1.300, r2=1.800, r3=4.540, r4= 5.040,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 84 CYSS HB2 85 ARG+ HN 1.800 5.500
&rst iat=1288, 1296, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 86 GLU- HN 86 GLU- HA 1.800 4.420
&rst iat=1320, 1322, r1=1.300, r2=1.800, r3=4.420, r4= 4.920,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 85 ARG+ HA 86 GLU- HN 1.800 3.420
&rst iat=1298, 1320, r1=1.300, r2=1.800, r3=3.420, r4= 3.920,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 86 GLU- HN 86 GLU- HB2 1.800 4.880
&rst iat=1320, 1324, r1=1.300, r2=1.800, r3=4.880, r4= 5.380,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 85 ARG+ HB2 86 GLU- HN 1.800 4.260
&rst iat=1300, 1320, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 85 ARG+ HB3 86 GLU- HN 1.800 5.470
&rst iat=1301, 1320, r1=1.300, r2=1.800, r3=5.470, r4= 5.970,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 86 GLU- HN 87 THR HN 1.800 5.500
&rst iat=1320, 1335, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 87 THR HN 98 LYS+ HN 1.800 5.500
&rst iat=1335, 1492, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 87 THR HN 87 THR HA 1.800 5.500
&rst iat=1335, 1337, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 86 GLU- HA 87 THR HN 1.800 3.860
&rst iat=1322, 1335, r1=1.300, r2=1.800, r3=3.860, r4= 4.360,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 88 GLY HN 88 GLY HA1 1.800 3.670
&rst iat=1349, 1351, r1=1.300, r2=1.800, r3=3.670, r4= 4.170,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 87 THR HB 88 GLY HN 1.800 3.610
&rst iat=1339, 1349, r1=1.300, r2=1.800, r3=3.610, r4= 4.110,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 97 TYR HN 97 TYR HA 1.800 4.910
&rst iat=1471, 1473, r1=1.300, r2=1.800, r3=4.910, r4= 5.410,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 96 ALA HN 96 ALA HA 1.800 3.920
&rst iat=1461, 1463, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 96 ALA HA 97 TYR HN 1.800 3.170
&rst iat=1463, 1471, r1=1.300, r2=1.800, r3=3.170, r4= 3.670,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 87 THR HN 97 TYR HA 1.800 4.380
&rst iat=1335, 1473, r1=1.300, r2=1.800, r3=4.380, r4= 4.880,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 87 THR HN 87 THR HB 1.800 4.630
&rst iat=1335, 1339, r1=1.300, r2=1.800, r3=4.630, r4= 5.130,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 87 THR HN 88 GLY HA1 1.800 5.500
&rst iat=1335, 1351, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 86 GLU- HB2 87 THR HN 1.800 4.450
&rst iat=1324, 1335, r1=1.300, r2=1.800, r3=4.450, r4= 4.950,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 85 ARG+ HB3 87 THR HN 1.800 5.160
&rst iat=1301, 1335, r1=1.300, r2=1.800, r3=5.160, r4= 5.660,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 88 GLY HN 89 SER HN 1.800 4.630
&rst iat=1349, 1356, r1=1.300, r2=1.800, r3=4.630, r4= 5.130,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 89 SER HN 90 SER HN 1.800 3.480
&rst iat=1356, 1367, r1=1.300, r2=1.800, r3=3.480, r4= 3.980,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 89 SER HN 89 SER HA 1.800 4.010
&rst iat=1356, 1358, r1=1.300, r2=1.800, r3=4.010, r4= 4.510,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 89 SER HN 89 SER HB2 1.800 4.420
&rst iat=1356, 1360, r1=1.300, r2=1.800, r3=4.420, r4= 4.920,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 89 SER HN 89 SER HB3 1.800 5.340
&rst iat=1356, 1361, r1=1.300, r2=1.800, r3=5.340, r4= 5.840,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 88 GLY HA1 89 SER HN 1.800 5.500
&rst iat=1351, 1356, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 87 THR HN 90 SER HN 1.800 5.500
&rst iat=1335, 1367, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 90 SER HN 96 ALA HN 1.800 5.500
&rst iat=1367, 1461, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 90 SER HN 91 LYS+ HN 1.800 5.500
&rst iat=1367, 1378, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 91 LYS+ HN 96 ALA HN 1.800 5.280
&rst iat=1378, 1461, r1=1.300, r2=1.800, r3=5.280, r4= 5.780,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 90 SER HN 90 SER HA 1.800 4.070
&rst iat=1367, 1369, r1=1.300, r2=1.800, r3=4.070, r4= 4.570,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 90 SER HN 90 SER HB2 1.800 3.920
&rst iat=1367, 1371, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 90 SER HN 90 SER HB3 1.800 4.290
&rst iat=1367, 1372, r1=1.300, r2=1.800, r3=4.290, r4= 4.790,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 89 SER HA 90 SER HN 1.800 4.660
&rst iat=1358, 1367, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 86 GLU- HB2 90 SER HN 1.800 5.250
&rst iat=1324, 1367, r1=1.300, r2=1.800, r3=5.250, r4= 5.750,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 91 LYS+ HN 92 TYR HN 1.800 5.500
&rst iat=1378, 1400, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 91 LYS+ HN 91 LYS+ HA 1.800 3.700
&rst iat=1378, 1380, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 90 SER HA 91 LYS+ HN 1.800 3.420
&rst iat=1369, 1378, r1=1.300, r2=1.800, r3=3.420, r4= 3.920,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 90 SER HB2 91 LYS+ HN 1.800 5.220
&rst iat=1371, 1378, r1=1.300, r2=1.800, r3=5.220, r4= 5.720,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 90 SER HB3 91 LYS+ HN 1.800 5.500
&rst iat=1372, 1378, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 95 CYSS HA 96 ALA HN 1.800 3.610
&rst iat=1451, 1461, r1=1.300, r2=1.800, r3=3.610, r4= 4.110,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 91 LYS+ HN 95 CYSS HA 1.800 4.790
&rst iat=1378, 1451, r1=1.300, r2=1.800, r3=4.790, r4= 5.290,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 91 LYS+ HN 91 LYS+ HB2 1.800 3.980
&rst iat=1378, 1382, r1=1.300, r2=1.800, r3=3.980, r4= 4.480,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 91 LYS+ HN 94 ASN HB2 1.800 4.720
&rst iat=1378, 1439, r1=1.300, r2=1.800, r3=4.720, r4= 5.220,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 92 TYR HN 92 TYR HA 1.800 4.170
&rst iat=1400, 1402, r1=1.300, r2=1.800, r3=4.170, r4= 4.670,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 91 LYS+ HA 92 TYR HN 1.800 3.020
&rst iat=1380, 1400, r1=1.300, r2=1.800, r3=3.020, r4= 3.520,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 92 TYR HN 92 TYR HB2 1.800 3.480
&rst iat=1400, 1404, r1=1.300, r2=1.800, r3=3.480, r4= 3.980,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 92 TYR HN 92 TYR HB3 1.800 3.860
&rst iat=1400, 1405, r1=1.300, r2=1.800, r3=3.860, r4= 4.360,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 92 TYR HN 93 PRO HA 1.800 5.500
&rst iat=1400, 1431, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 91 LYS+ HB2 92 TYR HN 1.800 4.760
&rst iat=1382, 1400, r1=1.300, r2=1.800, r3=4.760, r4= 5.260,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 91 LYS+ HN 94 ASN HN 1.800 5.500
&rst iat=1378, 1435, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 94 ASN HN 95 CYSS HN 1.800 4.820
&rst iat=1435, 1449, r1=1.300, r2=1.800, r3=4.820, r4= 5.320,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 94 ASN HN 94 ASN HA 1.800 4.320
&rst iat=1435, 1437, r1=1.300, r2=1.800, r3=4.320, r4= 4.820,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 94 ASN HN 94 ASN HB2 1.800 3.240
&rst iat=1435, 1439, r1=1.300, r2=1.800, r3=3.240, r4= 3.740,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 93 PRO HA 94 ASN HN 1.800 4.630
&rst iat=1431, 1435, r1=1.300, r2=1.800, r3=4.630, r4= 5.130,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 92 TYR HA 94 ASN HN 1.800 3.790
&rst iat=1402, 1435, r1=1.300, r2=1.800, r3=3.790, r4= 4.290,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 95 CYSS HN 96 ALA HN 1.800 5.500
&rst iat=1449, 1461, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 95 CYSS HN 95 CYSS HA 1.800 4.350
&rst iat=1449, 1451, r1=1.300, r2=1.800, r3=4.350, r4= 4.850,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 94 ASN HA 95 CYSS HN 1.800 3.330
&rst iat=1437, 1449, r1=1.300, r2=1.800, r3=3.330, r4= 3.830,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 95 CYSS HN 95 CYSS HB2 1.800 4.480
&rst iat=1449, 1453, r1=1.300, r2=1.800, r3=4.480, r4= 4.980,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 95 CYSS HN 95 CYSS HB3 1.800 4.010
&rst iat=1449, 1454, r1=1.300, r2=1.800, r3=4.010, r4= 4.510,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 94 ASN HB2 95 CYSS HN 1.800 4.690
&rst iat=1439, 1449, r1=1.300, r2=1.800, r3=4.690, r4= 5.190,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 92 TYR HA 95 CYSS HN 1.800 5.500
&rst iat=1402, 1449, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 93 PRO HB2 95 CYSS HN 1.800 5.100
&rst iat=1428, 1449, r1=1.300, r2=1.800, r3=5.100, r4= 5.600,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 90 SER HA 96 ALA HN 1.800 5.130
&rst iat=1369, 1461, r1=1.300, r2=1.800, r3=5.130, r4= 5.630,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 95 CYSS HB2 96 ALA HN 1.800 4.290
&rst iat=1453, 1461, r1=1.300, r2=1.800, r3=4.290, r4= 4.790,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 95 CYSS HB3 96 ALA HN 1.800 5.040
&rst iat=1454, 1461, r1=1.300, r2=1.800, r3=5.040, r4= 5.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 97 TYR HN 97 TYR HB2 1.800 4.820
&rst iat=1471, 1475, r1=1.300, r2=1.800, r3=4.820, r4= 5.320,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 97 TYR HN 97 TYR HB3 1.800 4.510
&rst iat=1471, 1476, r1=1.300, r2=1.800, r3=4.510, r4= 5.010,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 27 ASN HA 97 TYR HN 1.800 5.500
&rst iat= 379, 1471, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 98 LYS+ HN 98 LYS+ HA 1.800 4.570
&rst iat=1492, 1494, r1=1.300, r2=1.800, r3=4.570, r4= 5.070,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 97 TYR HA 98 LYS+ HN 1.800 3.110
&rst iat=1473, 1492, r1=1.300, r2=1.800, r3=3.110, r4= 3.610,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 86 GLU- HA 98 LYS+ HN 1.800 4.970
&rst iat=1322, 1492, r1=1.300, r2=1.800, r3=4.970, r4= 5.470,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 98 LYS+ HN 98 LYS+ HB2 1.800 4.070
&rst iat=1492, 1496, r1=1.300, r2=1.800, r3=4.070, r4= 4.570,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 98 LYS+ HN 98 LYS+ HB3 1.800 4.260
&rst iat=1492, 1497, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 97 TYR HB2 98 LYS+ HN 1.800 4.660
&rst iat=1475, 1492, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 97 TYR HB3 98 LYS+ HN 1.800 5.500
&rst iat=1476, 1492, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 98 LYS+ HN 99 THR HN 1.800 5.500
&rst iat=1492, 1514, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 99 THR HN 100 THR HN 1.800 5.500
&rst iat=1514, 1528, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 99 THR HN 99 THR HA 1.800 4.720
&rst iat=1514, 1516, r1=1.300, r2=1.800, r3=4.720, r4= 5.220,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 98 LYS+ HA 99 THR HN 1.800 3.300
&rst iat=1494, 1514, r1=1.300, r2=1.800, r3=3.300, r4= 3.800,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 99 THR HN 99 THR HB 1.800 3.830
&rst iat=1514, 1518, r1=1.300, r2=1.800, r3=3.830, r4= 4.330,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 98 LYS+ HB2 99 THR HN 1.800 5.410
&rst iat=1496, 1514, r1=1.300, r2=1.800, r3=5.410, r4= 5.910,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 98 LYS+ HB3 99 THR HN 1.800 4.970
&rst iat=1497, 1514, r1=1.300, r2=1.800, r3=4.970, r4= 5.470,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 100 THR HN 100 THR HA 1.800 4.850
&rst iat=1528, 1530, r1=1.300, r2=1.800, r3=4.850, r4= 5.350,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 84 CYSS HA 100 THR HN 1.800 4.910
&rst iat=1286, 1528, r1=1.300, r2=1.800, r3=4.910, r4= 5.410,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 99 THR HA 100 THR HN 1.800 3.480
&rst iat=1516, 1528, r1=1.300, r2=1.800, r3=3.480, r4= 3.980,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 100 THR HN 100 THR HB 1.800 4.380
&rst iat=1528, 1532, r1=1.300, r2=1.800, r3=4.380, r4= 4.880,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 102 VAL HN 103 GLU- HN 1.800 5.500
&rst iat=1559, 1575, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 81 ILE HN 103 GLU- HN 1.800 5.500
&rst iat=1239, 1575, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 101 GLN HN 102 VAL HN 1.800 5.500
&rst iat=1542, 1559, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 101 GLN HN 101 GLN HB2 1.800 4.350
&rst iat=1542, 1546, r1=1.300, r2=1.800, r3=4.350, r4= 4.850,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 101 GLN HN 101 GLN HB3 1.800 4.380
&rst iat=1542, 1547, r1=1.300, r2=1.800, r3=4.380, r4= 4.880,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 100 THR HA 101 GLN HN 1.800 3.480
&rst iat=1530, 1542, r1=1.300, r2=1.800, r3=3.480, r4= 3.980,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 100 THR HB 101 GLN HN 1.800 5.500
&rst iat=1532, 1542, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 102 VAL HN 102 VAL HB 1.800 4.660
&rst iat=1559, 1563, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 82 THR HA 102 VAL HN 1.800 4.820
&rst iat=1260, 1559, r1=1.300, r2=1.800, r3=4.820, r4= 5.320,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 101 GLN HB3 102 VAL HN 1.800 5.250
&rst iat=1547, 1559, r1=1.300, r2=1.800, r3=5.250, r4= 5.750,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 102 VAL HA 103 GLU- HN 1.800 2.930
&rst iat=1561, 1575, r1=1.300, r2=1.800, r3=2.930, r4= 3.430,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 103 GLU- HN 103 GLU- HB2 1.800 3.830
&rst iat=1575, 1579, r1=1.300, r2=1.800, r3=3.830, r4= 4.330,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 103 GLU- HN 103 GLU- HB3 1.800 4.720
&rst iat=1575, 1580, r1=1.300, r2=1.800, r3=4.720, r4= 5.220,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 103 GLU- HN 104 LYS+ HN 1.800 5.500
&rst iat=1575, 1590, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 80 ARG+ HA 104 LYS+ HN 1.800 5.500
&rst iat=1217, 1590, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 79 MET HA 104 LYS+ HN 1.800 5.500
&rst iat=1198, 1590, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 104 LYS+ HN 104 LYS+ HB3 1.800 4.100
&rst iat=1590, 1595, r1=1.300, r2=1.800, r3=4.100, r4= 4.600,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 104 LYS+ HN 104 LYS+ HB2 1.800 5.100
&rst iat=1590, 1594, r1=1.300, r2=1.800, r3=5.100, r4= 5.600,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 103 GLU- HB3 104 LYS+ HN 1.800 4.630
&rst iat=1580, 1590, r1=1.300, r2=1.800, r3=4.630, r4= 5.130,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 104 LYS+ HN 105 HIS+ HN 1.800 5.500
&rst iat=1590, 1612, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 105 HIS+ HN 124 VAL HN 1.800 4.630
&rst iat=1612, 1884, r1=1.300, r2=1.800, r3=4.630, r4= 5.130,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 105 HIS+ HN 105 HIS+ HA 1.800 4.760
&rst iat=1612, 1614, r1=1.300, r2=1.800, r3=4.760, r4= 5.260,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 104 LYS+ HA 105 HIS+ HN 1.800 3.300
&rst iat=1592, 1612, r1=1.300, r2=1.800, r3=3.300, r4= 3.800,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 105 HIS+ HN 105 HIS+ HB2 1.800 4.230
&rst iat=1612, 1616, r1=1.300, r2=1.800, r3=4.230, r4= 4.730,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 105 HIS+ HN 105 HIS+ HB3 1.800 4.320
&rst iat=1612, 1617, r1=1.300, r2=1.800, r3=4.320, r4= 4.820,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 104 LYS+ HB2 105 HIS+ HN 1.800 3.790
&rst iat=1594, 1612, r1=1.300, r2=1.800, r3=3.790, r4= 4.290,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 104 LYS+ HB3 105 HIS+ HN 1.800 4.230
&rst iat=1595, 1612, r1=1.300, r2=1.800, r3=4.230, r4= 4.730,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 75 SER HN 106 ILE HN 1.800 4.720
&rst iat=1138, 1630, r1=1.300, r2=1.800, r3=4.720, r4= 5.220,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 106 ILE HN 107 ILE HN 1.800 5.410
&rst iat=1630, 1649, r1=1.300, r2=1.800, r3=5.410, r4= 5.910,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 105 HIS+ HB2 106 ILE HN 1.800 4.510
&rst iat=1616, 1630, r1=1.300, r2=1.800, r3=4.510, r4= 5.010,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 78 THR HA 106 ILE HN 1.800 4.480
&rst iat=1184, 1630, r1=1.300, r2=1.800, r3=4.480, r4= 4.980,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 75 SER HA 106 ILE HN 1.800 5.500
&rst iat=1140, 1630, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 74 GLN HA 106 ILE HN 1.800 5.500
&rst iat=1123, 1630, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 106 ILE HN 106 ILE HB 1.800 5.100
&rst iat=1630, 1634, r1=1.300, r2=1.800, r3=5.100, r4= 5.600,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 107 ILE HN 108 VAL HN 1.800 5.500
&rst iat=1649, 1668, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 107 ILE HN 107 ILE HB 1.800 3.980
&rst iat=1649, 1653, r1=1.300, r2=1.800, r3=3.980, r4= 4.480,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 106 ILE HB 107 ILE HN 1.800 4.260
&rst iat=1634, 1649, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 73 TYR HN 108 VAL HN 1.800 5.310
&rst iat=1100, 1668, r1=1.300, r2=1.800, r3=5.310, r4= 5.810,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 107 ILE HA 108 VAL HN 1.800 3.300
&rst iat=1651, 1668, r1=1.300, r2=1.800, r3=3.300, r4= 3.800,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 108 VAL HN 108 VAL HB 1.800 4.880
&rst iat=1668, 1672, r1=1.300, r2=1.800, r3=4.880, r4= 5.380,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 107 ILE HB 108 VAL HN 1.800 5.500
&rst iat=1653, 1668, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 108 VAL HN 109 ALA HN 1.800 5.500
&rst iat=1668, 1684, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 7 LYS+ HN 8 PHE HB3 1.800 5.500
&rst iat= 82, 109, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 7 LYS+ HN 8 PHE HB2 1.800 5.500
&rst iat= 82, 108, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 109 ALA HN 120 PHE HA 1.800 5.500
&rst iat=1684, 1833, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 71 ASN HN 110 CYSS HN 1.800 5.500
&rst iat=1074, 1694, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 110 CYSS HN 110 CYSS HA 1.800 4.790
&rst iat=1694, 1696, r1=1.300, r2=1.800, r3=4.790, r4= 5.290,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 109 ALA HA 110 CYSS HN 1.800 3.640
&rst iat=1686, 1694, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 72 CYSS HA 110 CYSS HN 1.800 5.500
&rst iat=1090, 1694, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 72 CYSS HN 109 ALA HA 1.800 5.500
&rst iat=1088, 1686, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 110 CYSS HN 110 CYSS HB2 1.800 4.380
&rst iat=1694, 1698, r1=1.300, r2=1.800, r3=4.380, r4= 4.880,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 110 CYSS HN 110 CYSS HB3 1.800 5.040
&rst iat=1694, 1699, r1=1.300, r2=1.800, r3=5.040, r4= 5.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 111 GLY HN 116 VAL HN 1.800 3.550
&rst iat=1706, 1767, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 110 CYSS HN 111 GLY HN 1.800 5.500
&rst iat=1694, 1706, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 111 GLY HN 111 GLY HA1 1.800 4.140
&rst iat=1706, 1708, r1=1.300, r2=1.800, r3=4.140, r4= 4.640,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 111 GLY HN 111 GLY HA2 1.800 3.890
&rst iat=1706, 1709, r1=1.300, r2=1.800, r3=3.890, r4= 4.390,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 111 GLY HN 116 VAL HA 1.800 5.500
&rst iat=1706, 1769, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 110 CYSS HA 111 GLY HN 1.800 3.110
&rst iat=1696, 1706, r1=1.300, r2=1.800, r3=3.110, r4= 3.610,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 110 CYSS HB2 111 GLY HN 1.800 5.070
&rst iat=1698, 1706, r1=1.300, r2=1.800, r3=5.070, r4= 5.570,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 110 CYSS HB3 111 GLY HN 1.800 3.760
&rst iat=1699, 1706, r1=1.300, r2=1.800, r3=3.760, r4= 4.260,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 112 GLY HN 113 LYS+ HN 1.800 5.100
&rst iat=1713, 1720, r1=1.300, r2=1.800, r3=5.100, r4= 5.600,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 111 GLY HN 112 GLY HN 1.800 5.500
&rst iat=1706, 1713, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 112 GLY HN 112 GLY HA2 1.800 3.360
&rst iat=1713, 1716, r1=1.300, r2=1.800, r3=3.360, r4= 3.860,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 112 GLY HN 112 GLY HA1 1.800 3.450
&rst iat=1713, 1715, r1=1.300, r2=1.800, r3=3.450, r4= 3.950,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 111 GLY HA1 112 GLY HN 1.800 3.360
&rst iat=1708, 1713, r1=1.300, r2=1.800, r3=3.360, r4= 3.860,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 113 LYS+ HN 113 LYS+ HA 1.800 3.550
&rst iat=1720, 1722, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 112 GLY HA1 113 LYS+ HN 1.800 3.670
&rst iat=1715, 1720, r1=1.300, r2=1.800, r3=3.670, r4= 4.170,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 112 GLY HA2 113 LYS+ HN 1.800 3.640
&rst iat=1716, 1720, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 113 LYS+ HN 114 PRO HA 1.800 5.500
&rst iat=1720, 1752, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 113 LYS+ HN 113 LYS+ HB2 1.800 3.580
&rst iat=1720, 1724, r1=1.300, r2=1.800, r3=3.580, r4= 4.080,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 115 SER HN 116 VAL HN 1.800 5.410
&rst iat=1756, 1767, r1=1.300, r2=1.800, r3=5.410, r4= 5.910,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 115 SER HN 115 SER HA 1.800 4.040
&rst iat=1756, 1758, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 114 PRO HA 115 SER HN 1.800 3.080
&rst iat=1752, 1756, r1=1.300, r2=1.800, r3=3.080, r4= 3.580,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 115 SER HN 115 SER HB2 1.800 3.920
&rst iat=1756, 1760, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 115 SER HN 115 SER HB3 1.800 4.170
&rst iat=1756, 1761, r1=1.300, r2=1.800, r3=4.170, r4= 4.670,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 114 PRO HB3 115 SER HN 1.800 4.140
&rst iat=1750, 1756, r1=1.300, r2=1.800, r3=4.140, r4= 4.640,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 114 PRO HB2 115 SER HN 1.800 4.420
&rst iat=1749, 1756, r1=1.300, r2=1.800, r3=4.420, r4= 4.920,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 113 LYS+ HB2 115 SER HN 1.800 5.500
&rst iat=1724, 1756, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 116 VAL HN 116 VAL HA 1.800 4.570
&rst iat=1767, 1769, r1=1.300, r2=1.800, r3=4.570, r4= 5.070,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 115 SER HA 116 VAL HN 1.800 3.140
&rst iat=1758, 1767, r1=1.300, r2=1.800, r3=3.140, r4= 3.640,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 115 SER HB2 116 VAL HN 1.800 5.500
&rst iat=1760, 1767, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 115 SER HB3 116 VAL HN 1.800 5.500
&rst iat=1761, 1767, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 116 VAL HN 116 VAL HB 1.800 5.440
&rst iat=1767, 1771, r1=1.300, r2=1.800, r3=5.440, r4= 5.940,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 111 GLY HA1 116 VAL HN 1.800 4.970
&rst iat=1708, 1767, r1=1.300, r2=1.800, r3=4.970, r4= 5.470,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 118 VAL HN 119 HIS+ HN 1.800 3.270
&rst iat=1797, 1813, r1=1.300, r2=1.800, r3=3.270, r4= 3.770,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 111 GLY HN 118 VAL HN 1.800 5.500
&rst iat=1706, 1797, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 110 CYSS HA 116 VAL HN 1.800 5.310
&rst iat=1696, 1767, r1=1.300, r2=1.800, r3=5.310, r4= 5.810,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 118 VAL HN 118 VAL HA 1.800 3.640
&rst iat=1797, 1799, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 118 VAL HN 119 HIS+ HB3 1.800 5.500
&rst iat=1797, 1818, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 117 PRO HB3 118 VAL HN 1.800 5.500
&rst iat=1791, 1797, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 117 PRO HB2 118 VAL HN 1.800 5.250
&rst iat=1790, 1797, r1=1.300, r2=1.800, r3=5.250, r4= 5.750,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 118 VAL HN 118 VAL HB 1.800 5.500
&rst iat=1797, 1801, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 109 ALA HN 119 HIS+ HN 1.800 4.570
&rst iat=1684, 1813, r1=1.300, r2=1.800, r3=4.570, r4= 5.070,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 119 HIS+ HN 119 HIS+ HA 1.800 4.630
&rst iat=1813, 1815, r1=1.300, r2=1.800, r3=4.630, r4= 5.130,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 110 CYSS HA 119 HIS+ HN 1.800 4.760
&rst iat=1696, 1813, r1=1.300, r2=1.800, r3=4.760, r4= 5.260,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 118 VAL HA 119 HIS+ HN 1.800 5.130
&rst iat=1799, 1813, r1=1.300, r2=1.800, r3=5.130, r4= 5.630,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 119 HIS+ HN 119 HIS+ HB2 1.800 4.850
&rst iat=1813, 1817, r1=1.300, r2=1.800, r3=4.850, r4= 5.350,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 119 HIS+ HN 119 HIS+ HB3 1.800 3.890
&rst iat=1813, 1818, r1=1.300, r2=1.800, r3=3.890, r4= 4.390,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 117 PRO HB2 119 HIS+ HN 1.800 5.500
&rst iat=1790, 1813, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 121 ASP- HN 122 ALA HN 1.800 4.040
&rst iat=1851, 1863, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 121 ASP- HN 121 ASP- HA 1.800 5.040
&rst iat=1851, 1853, r1=1.300, r2=1.800, r3=5.040, r4= 5.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 120 PHE HA 121 ASP- HN 1.800 3.700
&rst iat=1833, 1851, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 108 VAL HA 121 ASP- HN 1.800 3.980
&rst iat=1670, 1851, r1=1.300, r2=1.800, r3=3.980, r4= 4.480,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 109 ALA HA 121 ASP- HN 1.800 5.500
&rst iat=1686, 1851, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 121 ASP- HN 121 ASP- HB3 1.800 4.600
&rst iat=1851, 1856, r1=1.300, r2=1.800, r3=4.600, r4= 5.100,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 121 ASP- HN 121 ASP- HB2 1.800 4.600
&rst iat=1851, 1855, r1=1.300, r2=1.800, r3=4.600, r4= 5.100,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 107 ILE HN 122 ALA HN 1.800 4.690
&rst iat=1649, 1863, r1=1.300, r2=1.800, r3=4.690, r4= 5.190,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 122 ALA HN 122 ALA HA 1.800 4.260
&rst iat=1863, 1865, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 121 ASP- HA 122 ALA HN 1.800 5.190
&rst iat=1853, 1863, r1=1.300, r2=1.800, r3=5.190, r4= 5.690,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 108 VAL HA 122 ALA HN 1.800 5.500
&rst iat=1670, 1863, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 107 ILE HA 122 ALA HN 1.800 5.500
&rst iat=1651, 1863, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 120 PHE HA 122 ALA HN 1.800 5.500
&rst iat=1833, 1863, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 121 ASP- HB3 122 ALA HN 1.800 4.690
&rst iat=1856, 1863, r1=1.300, r2=1.800, r3=4.690, r4= 5.190,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 121 ASP- HB2 122 ALA HN 1.800 4.350
&rst iat=1855, 1863, r1=1.300, r2=1.800, r3=4.350, r4= 4.850,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 122 ALA HN 123 SER HN 1.800 5.500
&rst iat=1863, 1873, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 123 SER HN 123 SER HA 1.800 4.420
&rst iat=1873, 1875, r1=1.300, r2=1.800, r3=4.420, r4= 4.920,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 106 ILE HA 123 SER HN 1.800 5.500
&rst iat=1632, 1873, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 122 ALA HA 123 SER HN 1.800 3.640
&rst iat=1865, 1873, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 123 SER HN 123 SER HB2 1.800 4.970
&rst iat=1873, 1877, r1=1.300, r2=1.800, r3=4.970, r4= 5.470,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 123 SER HN 123 SER HB3 1.800 5.000
&rst iat=1873, 1878, r1=1.300, r2=1.800, r3=5.000, r4= 5.500,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 123 SER HN 124 VAL HN 1.800 5.500
&rst iat=1873, 1884, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 124 VAL HN 124 VAL HA 1.800 4.970
&rst iat=1884, 1886, r1=1.300, r2=1.800, r3=4.970, r4= 5.470,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 106 ILE HA 124 VAL HN 1.800 5.220
&rst iat=1632, 1884, r1=1.300, r2=1.800, r3=5.220, r4= 5.720,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 123 SER HA 124 VAL HN 1.800 3.580
&rst iat=1875, 1884, r1=1.300, r2=1.800, r3=3.580, r4= 4.080,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 123 SER HB2 124 VAL HN 1.800 4.260
&rst iat=1877, 1884, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 123 SER HB3 124 VAL HN 1.800 4.510
&rst iat=1878, 1884, r1=1.300, r2=1.800, r3=4.510, r4= 5.010,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 124 VAL HN 124 VAL HB 1.800 4.970
&rst iat=1884, 1888, r1=1.300, r2=1.800, r3=4.970, r4= 5.470,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 3 SER HN 3 SER HA 1.800 4.040
&rst iat= 41, 43, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 3 SER HN 3 SER HB2 1.800 3.240
&rst iat= 41, 45, r1=1.300, r2=1.800, r3=3.240, r4= 3.740,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 3 SER HN 3 SER HB3 1.800 3.950
&rst iat= 41, 46, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 2 GLU- HB2 3 SER HN 1.800 5.500
&rst iat= 30, 41, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 2 GLU- HB3 3 SER HN 1.800 5.000
&rst iat= 31, 41, r1=1.300, r2=1.800, r3=5.000, r4= 5.500,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 8 PHE HN 118 VAL HA 1.800 5.500
&rst iat= 104, 1799, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 7 LYS+ HA 9 GLU- HN 1.800 5.500
&rst iat= 84, 124, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 9 GLU- HN 10 ARG+ HB2 1.800 5.500
&rst iat= 124, 143, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 9 GLU- HN 12 HIS+ HB3 1.800 5.500
&rst iat= 124, 185, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 10 ARG+ HN 12 HIS+ HN 1.800 5.500
&rst iat= 139, 180, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 3 SER HA 5 ALA HN 1.800 5.100
&rst iat= 43, 62, r1=1.300, r2=1.800, r3=5.100, r4= 5.600,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 3 SER HB3 5 ALA HN 1.800 5.500
&rst iat= 46, 62, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 12 HIS+ HN 13 MET HB2 1.800 5.500
&rst iat= 180, 202, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 10 ARG+ HA 12 HIS+ HN 1.800 5.500
&rst iat= 141, 180, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 50 SER HN 53 ASP- HN 1.800 5.500
&rst iat= 760, 800, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 62 LYS+ HN 74 GLN HN 1.800 5.500
&rst iat= 938, 1121, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 111 GLY HA2 112 GLY HN 1.800 3.450
&rst iat=1709, 1713, r1=1.300, r2=1.800, r3=3.450, r4= 3.950,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 32 CYS HB3 34 LYS+ HN 1.800 5.500
&rst iat= 466, 498, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 16 GLY HN 48 HIS+ HA 1.800 5.220
&rst iat= 240, 729, r1=1.300, r2=1.800, r3=5.220, r4= 5.720,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 43 VAL HA 86 GLU- HN 1.800 5.500
&rst iat= 649, 1320, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 3 SER HB3 4 ALA HN 1.800 4.510
&rst iat= 46, 52, r1=1.300, r2=1.800, r3=4.510, r4= 5.010,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 3 SER HN 6 ALA HN 1.800 5.220
&rst iat= 41, 72, r1=1.300, r2=1.800, r3=5.220, r4= 5.720,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 65 CYSS HN 72 CYSS HN 1.800 5.500
&rst iat= 990, 1088, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 6 ALA HN 9 GLU- HN 1.800 5.500
&rst iat= 72, 124, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 9 GLU- HN 10 ARG+ HN 1.800 3.830
&rst iat= 124, 139, r1=1.300, r2=1.800, r3=3.830, r4= 4.330,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 7 LYS+ HN 9 GLU- HN 1.800 5.500
&rst iat= 82, 124, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 9 GLU- HN 9 GLU- HA 1.800 4.140
&rst iat= 124, 126, r1=1.300, r2=1.800, r3=4.140, r4= 4.640,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 13 MET HB3 14 ASP- HN 1.800 5.500
&rst iat= 203, 217, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 26 CYSS HA 27 ASN HN 1.800 5.500
&rst iat= 367, 377, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 40 CYSS HB3 41 LYS+ HN 1.800 5.500
&rst iat= 604, 611, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 73 TYR HB3 74 GLN HN 1.800 5.040
&rst iat=1105, 1121, r1=1.300, r2=1.800, r3=5.040, r4= 5.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 107 ILE HN 107 ILE HA 1.800 5.500
&rst iat=1649, 1651, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 85 ARG+ HN 98 LYS+ HA 1.800 4.720
&rst iat=1296, 1494, r1=1.300, r2=1.800, r3=4.720, r4= 5.220,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 52 ALA HA 54 VAL HN 1.800 5.220
&rst iat= 792, 812, r1=1.300, r2=1.800, r3=5.220, r4= 5.720,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 46 PHE HB3 47 VAL HN 1.800 5.500
&rst iat= 696, 711, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 37 GLN HN 39 LYS+ HN 1.800 5.500
&rst iat= 553, 577, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 44 ASN HB3 45 THR HN 1.800 5.500
&rst iat= 668, 677, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 63 VAL HN 73 TYR HN 1.800 5.500
&rst iat= 960, 1100, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 55 LYS+ HB2 56 ALA HN 1.800 4.380
&rst iat= 832, 850, r1=1.300, r2=1.800, r3=4.380, r4= 4.880,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 24 ASN HA 28 LEU HN 1.800 5.500
&rst iat= 332, 391, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 26 CYSS HA 28 LEU HN 1.800 5.500
&rst iat= 367, 391, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 34 LYS+ HN 36 THR HN 1.800 5.500
&rst iat= 498, 539, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 87 THR HA 88 GLY HN 1.800 3.790
&rst iat=1337, 1349, r1=1.300, r2=1.800, r3=3.790, r4= 4.290,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 2 GLU- HN 2 GLU- HG3 1.800 5.500
&rst iat= 26, 34, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 2 GLU- HN 2 GLU- HG2 1.800 5.500
&rst iat= 26, 33, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 7 LYS+ HN 7 LYS+ HG2 1.800 4.420
&rst iat= 82, 89, r1=1.300, r2=1.800, r3=4.420, r4= 4.920,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 7 LYS+ HN 7 LYS+ HG3 1.800 5.500
&rst iat= 82, 90, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 8 PHE HD1 9 GLU- HN 1.800 5.500
&rst iat= 112, 124, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 7 LYS+ HG2 8 PHE HN 1.800 5.500
&rst iat= 89, 104, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 10 ARG+ HN 10 ARG+ HG2 1.800 5.500
&rst iat= 139, 146, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 10 ARG+ HD2 10 ARG+ HE 1.800 5.500
&rst iat= 149, 152, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 10 ARG+ HB2 10 ARG+ HE 1.800 5.500
&rst iat= 143, 152, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 10 ARG+ HB3 10 ARG+ HE 1.800 5.500
&rst iat= 144, 152, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 10 ARG+ HG2 10 ARG+ HE 1.800 5.500
&rst iat= 146, 152, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 10 ARG+ HD3 10 ARG+ HE 1.800 4.790
&rst iat= 150, 152, r1=1.300, r2=1.800, r3=4.790, r4= 5.290,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 7 LYS+ HA 10 ARG+ HE 1.800 5.500
&rst iat= 84, 152, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 11 GLN HN 11 GLN HG3 1.800 4.910
&rst iat= 163, 171, r1=1.300, r2=1.800, r3=4.910, r4= 5.410,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 11 GLN HN 11 GLN HG2 1.800 4.540
&rst iat= 163, 170, r1=1.300, r2=1.800, r3=4.540, r4= 5.040,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 10 ARG+ HG2 11 GLN HN 1.800 5.500
&rst iat= 146, 163, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 13 MET HN 13 MET HG2 1.800 5.500
&rst iat= 198, 205, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 17 ASN HD22 17 ASN HD21 1.800 2.900
&rst iat= 257, 256, r1=1.300, r2=1.800, r3=2.900, r4= 3.400,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 17 ASN HB2 17 ASN HD21 1.800 5.500
&rst iat= 251, 256, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 17 ASN HB3 17 ASN HD21 1.800 5.500
&rst iat= 252, 256, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 17 ASN HB2 17 ASN HD22 1.800 5.500
&rst iat= 251, 257, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 17 ASN HB3 17 ASN HD22 1.800 5.500
&rst iat= 252, 257, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 24 ASN HD21 24 ASN HD22 1.800 2.710
&rst iat= 339, 340, r1=1.300, r2=1.800, r3=2.710, r4= 3.210,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 24 ASN HB2 24 ASN HD21 1.800 5.500
&rst iat= 334, 339, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 24 ASN HB3 24 ASN HD21 1.800 5.500
&rst iat= 335, 339, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 24 ASN HB2 24 ASN HD22 1.800 5.500
&rst iat= 334, 340, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 25 TYR HN 25 TYR HD1 1.800 5.500
&rst iat= 344, 352, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 25 TYR HD1 26 CYSS HN 1.800 5.500
&rst iat= 352, 365, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 26 CYSS HN 99 THR HB 1.800 5.500
&rst iat= 365, 1518, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 27 ASN HN 27 ASN HD21 1.800 5.500
&rst iat= 377, 386, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 27 ASN HN 27 ASN HD22 1.800 5.500
&rst iat= 377, 387, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 27 ASN HD22 27 ASN HD21 1.800 3.140
&rst iat= 387, 386, r1=1.300, r2=1.800, r3=3.140, r4= 3.640,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 27 ASN HB2 27 ASN HD21 1.800 5.100
&rst iat= 381, 386, r1=1.300, r2=1.800, r3=5.100, r4= 5.600,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 27 ASN HB2 27 ASN HD22 1.800 5.500
&rst iat= 381, 387, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 28 LEU HN 28 LEU HG 1.800 5.500
&rst iat= 391, 398, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 28 LEU HG 29 MET HN 1.800 5.500
&rst iat= 398, 410, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 30 MET HN 30 MET HG2 1.800 4.600
&rst iat= 429, 436, r1=1.300, r2=1.800, r3=4.600, r4= 5.100,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 30 MET HN 30 MET HG3 1.800 5.220
&rst iat= 429, 437, r1=1.300, r2=1.800, r3=5.220, r4= 5.720,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 30 MET HG2 31 CYS HN 1.800 5.500
&rst iat= 436, 448, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 33 ARG+ HN 33 ARG+ HG2 1.800 5.500
&rst iat= 474, 481, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 33 ARG+ HN 33 ARG+ HG3 1.800 5.500
&rst iat= 474, 482, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 33 ARG+ HN 33 ARG+ HE 1.800 5.500
&rst iat= 474, 487, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 33 ARG+ HD2 33 ARG+ HE 1.800 5.500
&rst iat= 484, 487, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 33 ARG+ HD3 33 ARG+ HE 1.800 5.500
&rst iat= 485, 487, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 33 ARG+ HA 33 ARG+ HE 1.800 5.500
&rst iat= 476, 487, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 33 ARG+ HG3 33 ARG+ HE 1.800 5.500
&rst iat= 482, 487, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 33 ARG+ HG2 33 ARG+ HE 1.800 5.500
&rst iat= 481, 487, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 29 MET HG3 33 ARG+ HE 1.800 5.500
&rst iat= 418, 487, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 34 LYS+ HN 34 LYS+ HG3 1.800 5.500
&rst iat= 498, 506, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 34 LYS+ HN 34 LYS+ HG2 1.800 5.500
&rst iat= 498, 505, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 33 ARG+ HG3 34 LYS+ HN 1.800 5.500
&rst iat= 482, 498, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 35 MET HN 35 MET HG2 1.800 5.500
&rst iat= 520, 527, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 34 LYS+ HD3 36 THR HN 1.800 5.500
&rst iat= 509, 539, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 37 GLN HN 37 GLN HG2 1.800 5.500
&rst iat= 553, 560, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 37 GLN HE22 37 GLN HE21 1.800 2.800
&rst iat= 566, 565, r1=1.300, r2=1.800, r3=2.800, r4= 3.300,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 37 GLN HG2 37 GLN HE21 1.800 5.500
&rst iat= 560, 565, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 37 GLN HG2 37 GLN HE22 1.800 5.500
&rst iat= 560, 566, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 38 GLY HN 92 TYR HE1 1.800 5.500
&rst iat= 570, 1410, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 39 LYS+ HN 92 TYR HE1 1.800 5.500
&rst iat= 577, 1410, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 39 LYS+ HN 92 TYR HD1 1.800 5.500
&rst iat= 577, 1408, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 39 LYS+ HN 39 LYS+ HG2 1.800 5.500
&rst iat= 577, 584, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 39 LYS+ HN 39 LYS+ HG3 1.800 5.500
&rst iat= 577, 585, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 40 CYSS HN 92 TYR HD1 1.800 5.500
&rst iat= 599, 1408, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 40 CYSS HN 92 TYR HB2 1.800 5.500
&rst iat= 599, 1404, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 39 LYS+ HG2 40 CYSS HN 1.800 5.500
&rst iat= 584, 599, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 39 LYS+ HG3 40 CYSS HN 1.800 5.500
&rst iat= 585, 599, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 101 GLN HE21 101 GLN HE22 1.800 3.360
&rst iat=1554, 1555, r1=1.300, r2=1.800, r3=3.360, r4= 3.860,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 42 PRO HD2 43 VAL HN 1.800 5.500
&rst iat= 634, 647, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 42 PRO HD3 43 VAL HN 1.800 5.500
&rst iat= 635, 647, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 42 PRO HG2 43 VAL HN 1.800 5.220
&rst iat= 637, 647, r1=1.300, r2=1.800, r3=5.220, r4= 5.720,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 44 ASN HN 84 CYSS HB3 1.800 5.500
&rst iat= 663, 1289, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 44 ASN HN 84 CYSS HB2 1.800 5.500
&rst iat= 663, 1288, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 12 HIS+ HB2 45 THR HN 1.800 5.500
&rst iat= 184, 677, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 46 PHE HN 46 PHE HD1 1.800 5.500
&rst iat= 691, 699, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 44 ASN HD22 44 ASN HD21 1.800 3.980
&rst iat= 673, 672, r1=1.300, r2=1.800, r3=3.980, r4= 4.480,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 44 ASN HB2 44 ASN HD21 1.800 5.500
&rst iat= 667, 672, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 44 ASN HB3 44 ASN HD21 1.800 5.500
&rst iat= 668, 672, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 46 PHE HN 82 THR HB 1.800 5.500
&rst iat= 691, 1262, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 46 PHE HD1 47 VAL HN 1.800 5.500
&rst iat= 699, 711, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 48 HIS+ HN 79 MET HB2 1.800 5.500
&rst iat= 727, 1200, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 49 GLU- HN 49 GLU- HG2 1.800 5.500
&rst iat= 745, 752, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 49 GLU- HG2 50 SER HN 1.800 5.040
&rst iat= 752, 760, r1=1.300, r2=1.800, r3=5.040, r4= 5.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 51 LEU HN 51 LEU HG 1.800 5.500
&rst iat= 771, 778, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 55 LYS+ HN 55 LYS+ HG2 1.800 4.600
&rst iat= 828, 835, r1=1.300, r2=1.800, r3=4.600, r4= 5.100,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 55 LYS+ HG2 56 ALA HN 1.800 5.500
&rst iat= 835, 850, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 57 VAL HN 60 GLN HG2 1.800 5.500
&rst iat= 860, 906, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 60 GLN HN 73 TYR HD1 1.800 5.500
&rst iat= 899, 1108, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 60 GLN HN 73 TYR HB2 1.800 5.500
&rst iat= 899, 1104, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 60 GLN HN 60 GLN HG2 1.800 5.500
&rst iat= 899, 906, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 60 GLN HN 73 TYR HB3 1.800 5.500
&rst iat= 899, 1105, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 73 TYR HD1 74 GLN HN 1.800 5.500
&rst iat=1108, 1121, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 61 LYS+ HN 61 LYS+ HG2 1.800 5.500
&rst iat= 916, 923, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 61 LYS+ HN 61 LYS+ HG3 1.800 5.500
&rst iat= 916, 924, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 60 GLN HG2 61 LYS+ HN 1.800 5.500
&rst iat= 906, 916, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 62 LYS+ HN 73 TYR HD1 1.800 5.500
&rst iat= 938, 1108, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 62 LYS+ HN 62 LYS+ HG2 1.800 5.500
&rst iat= 938, 945, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 62 LYS+ HN 62 LYS+ HG3 1.800 5.500
&rst iat= 938, 946, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 61 LYS+ HG2 62 LYS+ HN 1.800 5.500
&rst iat= 923, 938, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 63 VAL HN 73 TYR HD1 1.800 5.500
&rst iat= 960, 1108, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 62 LYS+ HG2 63 VAL HN 1.800 5.500
&rst iat= 945, 960, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 62 LYS+ HG3 63 VAL HN 1.800 5.500
&rst iat= 946, 960, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 66 LYS+ HN 66 LYS+ HG2 1.800 5.040
&rst iat=1002, 1009, r1=1.300, r2=1.800, r3=5.040, r4= 5.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 66 LYS+ HG2 67 ASP- HN 1.800 5.500
&rst iat=1009, 1024, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 69 GLN HN 69 GLN HG2 1.800 5.500
&rst iat=1043, 1050, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 71 ASN HD22 71 ASN HD21 1.800 3.110
&rst iat=1084, 1083, r1=1.300, r2=1.800, r3=3.110, r4= 3.610,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 71 ASN HB2 71 ASN HD21 1.800 5.500
&rst iat=1078, 1083, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 71 ASN HB3 71 ASN HD21 1.800 5.500
&rst iat=1079, 1083, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 71 ASN HB2 71 ASN HD22 1.800 5.500
&rst iat=1078, 1084, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 73 TYR HN 73 TYR HD1 1.800 5.500
&rst iat=1100, 1108, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 73 TYR HN 73 TYR HE1 1.800 5.500
&rst iat=1100, 1110, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 74 GLN HN 74 GLN HG2 1.800 5.500
&rst iat=1121, 1128, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 74 GLN HE21 74 GLN HE22 1.800 3.020
&rst iat=1133, 1134, r1=1.300, r2=1.800, r3=3.020, r4= 3.520,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 74 GLN HG2 74 GLN HE21 1.800 5.500
&rst iat=1128, 1133, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 74 GLN HG2 74 GLN HE22 1.800 5.500
&rst iat=1128, 1134, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 74 GLN HB2 74 GLN HE21 1.800 5.500
&rst iat=1125, 1133, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 74 GLN HB3 74 GLN HE21 1.800 5.500
&rst iat=1126, 1133, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 74 GLN HB2 74 GLN HE22 1.800 5.500
&rst iat=1125, 1134, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 74 GLN HB3 74 GLN HE22 1.800 5.500
&rst iat=1126, 1134, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 74 GLN HE21 105 HIS+ HD2 1.800 5.500
&rst iat=1133, 1626, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 75 SER HN 105 HIS+ HB2 1.800 5.500
&rst iat=1138, 1616, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 74 GLN HG2 75 SER HN 1.800 5.500
&rst iat=1128, 1138, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 75 SER HN 106 ILE HG13 1.800 5.500
&rst iat=1138, 1641, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 75 SER HN 107 ILE HG12 1.800 5.500
&rst iat=1138, 1659, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 75 SER HN 106 ILE HG12 1.800 5.500
&rst iat=1138, 1640, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 76 LYS+ HN 77 SER HG 1.800 5.500
&rst iat=1149, 1178, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 60 GLN HB2 76 LYS+ HN 1.800 5.500
&rst iat= 903, 1149, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 76 LYS+ HN 76 LYS+ HG2 1.800 5.500
&rst iat=1149, 1156, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 76 LYS+ HG2 77 SER HN 1.800 5.500
&rst iat=1156, 1171, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 77 SER HN 77 SER HG 1.800 5.500
&rst iat=1171, 1178, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 79 MET HN 103 GLU- HB3 1.800 5.500
&rst iat=1196, 1580, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 80 ARG+ HN 80 ARG+ HE 1.800 5.500
&rst iat=1215, 1228, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 80 ARG+ HN 80 ARG+ HG2 1.800 5.500
&rst iat=1215, 1222, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 80 ARG+ HN 80 ARG+ HD2 1.800 5.500
&rst iat=1215, 1225, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 80 ARG+ HD2 80 ARG+ HE 1.800 4.720
&rst iat=1225, 1228, r1=1.300, r2=1.800, r3=4.720, r4= 5.220,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 80 ARG+ HD3 80 ARG+ HE 1.800 5.500
&rst iat=1226, 1228, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 80 ARG+ HG2 80 ARG+ HE 1.800 4.600
&rst iat=1222, 1228, r1=1.300, r2=1.800, r3=4.600, r4= 5.100,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 80 ARG+ HB2 80 ARG+ HE 1.800 5.500
&rst iat=1219, 1228, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 80 ARG+ HG2 81 ILE HN 1.800 5.500
&rst iat=1222, 1239, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 81 ILE HG13 82 THR HN 1.800 5.500
&rst iat=1250, 1258, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 83 ASP- HN 100 THR HB 1.800 5.500
&rst iat=1272, 1532, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 48 HIS+ HD2 82 THR HN 1.800 5.500
&rst iat= 741, 1258, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 48 HIS+ HB3 80 ARG+ HE 1.800 5.500
&rst iat= 732, 1228, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 85 ARG+ HN 97 TYR HE1 1.800 5.500
&rst iat=1296, 1481, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 85 ARG+ HN 97 TYR HD1 1.800 5.500
&rst iat=1296, 1479, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 85 ARG+ HN 98 LYS+ HB3 1.800 5.500
&rst iat=1296, 1497, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 85 ARG+ HD2 85 ARG+ HE 1.800 5.500
&rst iat=1306, 1309, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 85 ARG+ HB3 85 ARG+ HE 1.800 5.500
&rst iat=1301, 1309, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 86 GLU- HN 97 TYR HE1 1.800 5.500
&rst iat=1320, 1481, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 86 GLU- HN 97 TYR HD1 1.800 5.500
&rst iat=1320, 1479, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 42 PRO HB2 86 GLU- HN 1.800 5.500
&rst iat= 640, 1320, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 85 ARG+ HG3 86 GLU- HN 1.800 5.500
&rst iat=1304, 1320, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 87 THR HN 97 TYR HD1 1.800 5.500
&rst iat=1335, 1479, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 91 LYS+ HN 91 LYS+ HG2 1.800 5.500
&rst iat=1378, 1385, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 92 TYR HN 92 TYR HD1 1.800 5.500
&rst iat=1400, 1408, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 91 LYS+ HG2 92 TYR HN 1.800 5.500
&rst iat=1385, 1400, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 94 ASN HN 94 ASN HD22 1.800 5.500
&rst iat=1435, 1445, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 94 ASN HD22 94 ASN HD21 1.800 2.800
&rst iat=1445, 1444, r1=1.300, r2=1.800, r3=2.800, r4= 3.300,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 93 PRO HG2 94 ASN HN 1.800 5.500
&rst iat=1425, 1435, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 93 PRO HD2 94 ASN HN 1.800 5.500
&rst iat=1422, 1435, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 94 ASN HB2 94 ASN HD21 1.800 5.500
&rst iat=1439, 1444, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 94 ASN HB2 94 ASN HD22 1.800 5.500
&rst iat=1439, 1445, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 93 PRO HD2 94 ASN HD21 1.800 5.500
&rst iat=1422, 1444, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 90 SER HB2 96 ALA HN 1.800 5.500
&rst iat=1371, 1461, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 90 SER HB3 96 ALA HN 1.800 5.500
&rst iat=1372, 1461, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 86 GLU- HB2 96 ALA HN 1.800 5.500
&rst iat=1324, 1461, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 27 ASN HD22 97 TYR HN 1.800 5.500
&rst iat= 387, 1471, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 97 TYR HN 97 TYR HD1 1.800 5.500
&rst iat=1471, 1479, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 27 ASN HD21 97 TYR HN 1.800 5.500
&rst iat= 386, 1471, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 26 CYSS HB3 97 TYR HN 1.800 5.500
&rst iat= 370, 1471, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 97 TYR HD1 98 LYS+ HN 1.800 5.500
&rst iat=1479, 1492, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 98 LYS+ HN 98 LYS+ HG3 1.800 5.500
&rst iat=1492, 1500, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 98 LYS+ HG2 99 THR HN 1.800 5.500
&rst iat=1499, 1514, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 83 ASP- HB2 100 THR HN 1.800 5.500
&rst iat=1276, 1528, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 83 ASP- HB3 100 THR HN 1.800 5.500
&rst iat=1277, 1528, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 101 GLN HN 101 GLN HG2 1.800 5.500
&rst iat=1542, 1549, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 81 ILE HG12 102 VAL HN 1.800 5.500
&rst iat=1249, 1559, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 101 GLN HG2 102 VAL HN 1.800 5.500
&rst iat=1549, 1559, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 103 GLU- HN 103 GLU- HG2 1.800 5.500
&rst iat=1575, 1582, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 103 GLU- HN 103 GLU- HG3 1.800 4.850
&rst iat=1575, 1583, r1=1.300, r2=1.800, r3=4.850, r4= 5.350,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 104 LYS+ HN 123 SER HB2 1.800 5.500
&rst iat=1590, 1877, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 103 GLU- HG2 104 LYS+ HN 1.800 5.500
&rst iat=1582, 1590, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 105 HIS+ HN 105 HIS+ HD2 1.800 5.500
&rst iat=1612, 1626, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 104 LYS+ HG2 105 HIS+ HN 1.800 5.500
&rst iat=1597, 1612, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 105 HIS+ HN 105 HIS+ HE1 1.800 5.500
&rst iat=1612, 1622, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 106 ILE HN 106 ILE HG12 1.800 5.500
&rst iat=1630, 1640, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 106 ILE HN 106 ILE HG13 1.800 5.500
&rst iat=1630, 1641, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 107 ILE HN 120 PHE HE1 1.800 5.500
&rst iat=1649, 1841, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 107 ILE HN 107 ILE HG12 1.800 5.500
&rst iat=1649, 1659, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 107 ILE HN 107 ILE HG13 1.800 5.500
&rst iat=1649, 1660, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 107 ILE HG12 108 VAL HN 1.800 5.500
&rst iat=1659, 1668, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 8 PHE HZ 109 ALA HN 1.800 5.500
&rst iat= 116, 1684, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 2 GLU- HG2 7 LYS+ HN 1.800 5.500
&rst iat= 33, 82, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 109 ALA HN 119 HIS+ HB3 1.800 5.500
&rst iat=1684, 1818, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 109 ALA HN 119 HIS+ HB2 1.800 5.500
&rst iat=1684, 1817, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 73 TYR HE1 110 CYSS HN 1.800 5.500
&rst iat=1110, 1694, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 73 TYR HD1 110 CYSS HN 1.800 5.500
&rst iat=1108, 1694, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 111 GLY HN 116 VAL HB 1.800 5.500
&rst iat=1706, 1771, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 114 PRO HG3 115 SER HN 1.800 5.500
&rst iat=1747, 1756, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 8 PHE HZ 119 HIS+ HN 1.800 5.500
&rst iat= 116, 1813, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 72 CYSS HB3 121 ASP- HN 1.800 5.500
&rst iat=1093, 1851, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 120 PHE HD1 121 ASP- HN 1.800 5.500
&rst iat=1839, 1851, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 120 PHE HE1 122 ALA HN 1.800 5.500
&rst iat=1841, 1863, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 120 PHE HD1 122 ALA HN 1.800 5.500
&rst iat=1839, 1863, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 107 ILE HB 122 ALA HN 1.800 5.130
&rst iat=1653, 1863, r1=1.300, r2=1.800, r3=5.130, r4= 5.630,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 107 ILE HG13 122 ALA HN 1.800 5.500
&rst iat=1660, 1863, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 106 ILE HB 122 ALA HN 1.800 5.500
&rst iat=1634, 1863, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 120 PHE HE1 123 SER HN 1.800 5.500
&rst iat=1841, 1873, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 107 ILE HB 123 SER HN 1.800 5.500
&rst iat=1653, 1873, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 105 HIS+ HB2 124 VAL HN 1.800 5.500
&rst iat=1616, 1884, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 104 LYS+ HB2 124 VAL HN 1.800 5.500
&rst iat=1594, 1884, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 104 LYS+ HB3 124 VAL HN 1.800 5.500
&rst iat=1595, 1884, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 2 GLU- HG2 3 SER HN 1.800 5.500
&rst iat= 33, 41, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 2 GLU- HG3 6 ALA HN 1.800 5.500
&rst iat= 34, 72, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 10 ARG+ HN 10 ARG+ HD3 1.800 5.500
&rst iat= 139, 150, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 76 LYS+ HN 76 LYS+ HD2 1.800 5.500
&rst iat=1149, 1159, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 7 LYS+ HG3 8 PHE HN 1.800 5.500
&rst iat= 90, 104, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 8 PHE HD1 12 HIS+ HN 1.800 5.500
&rst iat= 112, 180, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 8 PHE HE1 13 MET HN 1.800 5.500
&rst iat= 114, 198, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 27 ASN HN 97 TYR HB2 1.800 5.500
&rst iat= 377, 1475, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 60 GLN HG2 76 LYS+ HN 1.800 5.500
&rst iat= 906, 1149, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 79 MET HN 104 LYS+ HB3 1.800 5.500
&rst iat=1196, 1595, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 104 LYS+ HG2 124 VAL HN 1.800 5.500
&rst iat=1597, 1884, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 2 GLU- HG3 7 LYS+ HN 1.800 5.500
&rst iat= 34, 82, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 8 PHE HE1 109 ALA HN 1.800 5.500
&rst iat= 114, 1684, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 8 PHE HN 8 PHE HD1 1.800 5.500
&rst iat= 104, 112, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 14 ASP- HN 47 VAL HB 1.800 5.500
&rst iat= 217, 715, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 12 HIS+ HB3 47 VAL HN 1.800 5.500
&rst iat= 185, 711, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 35 MET HB2 41 LYS+ HN 1.800 5.500
&rst iat= 524, 611, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 30 MET HB3 35 MET HN 1.800 5.500
&rst iat= 434, 520, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 27 ASN HN 97 TYR HB3 1.800 5.500
&rst iat= 377, 1476, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 2 GLU- HG3 3 SER HN 1.800 5.500
&rst iat= 34, 41, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 51 LEU HG 52 ALA HN 1.800 5.500
&rst iat= 778, 790, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 44 ASN HD21 46 PHE HE1 1.800 5.500
&rst iat= 672, 701, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 60 GLN HB2 60 GLN HE22 1.800 5.500
&rst iat= 903, 912, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 7 LYS+ HG3 11 GLN HE22 1.800 5.500
&rst iat= 90, 176, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 69 GLN HE22 69 GLN HE21 1.800 3.480
&rst iat=1056, 1055, r1=1.300, r2=1.800, r3=3.480, r4= 3.980,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 69 GLN HG2 69 GLN HE21 1.800 5.500
&rst iat=1050, 1055, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 69 GLN HB2 69 GLN HE21 1.800 5.500
&rst iat=1047, 1055, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 60 GLN HE21 60 GLN HE22 1.800 2.830
&rst iat= 911, 912, r1=1.300, r2=1.800, r3=2.830, r4= 3.330,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 60 GLN HB2 60 GLN HE21 1.800 5.500
&rst iat= 903, 911, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 11 GLN HE22 11 GLN HE21 1.800 4.070
&rst iat= 176, 175, r1=1.300, r2=1.800, r3=4.070, r4= 4.570,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 11 GLN HG3 11 GLN HE22 1.800 5.500
&rst iat= 171, 176, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 11 GLN HB3 11 GLN HE22 1.800 5.500
&rst iat= 168, 176, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 101 GLN HG2 101 GLN HE21 1.800 5.500
&rst iat=1549, 1554, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 4 ALA HN 4 ALA QB 1.800 4.920
&rst iat= 52, -1, r1=1.300, r2=1.800, r3=4.920, r4= 5.420,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 52, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 56, 57, 58, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 5 ALA HN 5 ALA QB 1.800 4.360
&rst iat= 62, -1, r1=1.300, r2=1.800, r3=4.360, r4= 4.860,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 62, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 66, 67, 68, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 4 ALA QB 5 ALA HN 1.800 5.440
&rst iat= -1, 62, r1=1.300, r2=1.800, r3=5.440, r4= 5.940,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 56, 57, 58, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 62, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 6 ALA HN 6 ALA QB 1.800 4.670
&rst iat= 72, -1, r1=1.300, r2=1.800, r3=4.670, r4= 5.170,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 72, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 76, 77, 78, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 5 ALA QB 6 ALA HN 1.800 5.690
&rst iat= -1, 72, r1=1.300, r2=1.800, r3=5.690, r4= 6.190,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 66, 67, 68, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 72, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 13 MET QE 15 SER HN 1.800 6.530
&rst iat= -1, 229, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 211, 212, 213, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 229, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 25 TYR HN 99 THR QG2 1.800 6.530
&rst iat= 344, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 344, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1520, 1521, 1522, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 28 LEU HN 28 LEU QD1 1.800 6.530
&rst iat= 391, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 391, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 400, 401, 402, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 28 LEU QD1 29 MET HN 1.800 6.530
&rst iat= -1, 410, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 400, 401, 402, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 410, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 28 LEU QD1 32 CYS HN 1.800 6.530
&rst iat= -1, 461, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 400, 401, 402, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 461, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 35 MET HN 36 THR QG2 1.800 6.530
&rst iat= 520, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 520, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 545, 546, 547, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 36 THR HN 36 THR QG2 1.800 6.530
&rst iat= 539, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 539, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 545, 546, 547, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 36 THR QG2 37 GLN HN 1.800 6.530
&rst iat= -1, 553, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 545, 546, 547, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 553, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 36 THR QG2 41 LYS+ HN 1.800 6.530
&rst iat= -1, 611, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 545, 546, 547, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 611, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 43 VAL HN 43 VAL QG1 1.800 6.310
&rst iat= 647, -1, r1=1.300, r2=1.800, r3=6.310, r4= 6.810,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 647, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 653, 654, 655, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 43 VAL QG1 44 ASN HN 1.800 6.530
&rst iat= -1, 663, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 653, 654, 655, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 663, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 45 THR HN 45 THR QG2 1.800 6.530
&rst iat= 677, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 677, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 683, 684, 685, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 46 PHE HN 82 THR QG2 1.800 6.530
&rst iat= 691, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 691, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1264, 1265, 1266, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 82 THR HN 82 THR QG2 1.800 6.530
&rst iat=1258, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1258, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1264, 1265, 1266, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 47 VAL HN 47 VAL QG1 1.800 6.530
&rst iat= 711, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 711, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 717, 718, 719, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 47 VAL HN 47 VAL QG2 1.800 6.530
&rst iat= 711, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 711, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 721, 722, 723, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 45 THR QG2 47 VAL HN 1.800 6.530
&rst iat= -1, 711, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 683, 684, 685, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 711, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 47 VAL QG1 48 HIS+ HN 1.800 6.530
&rst iat= -1, 727, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 717, 718, 719, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 727, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 47 VAL QG2 48 HIS+ HN 1.800 6.530
&rst iat= -1, 727, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 721, 722, 723, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 727, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 48 HIS+ HN 81 ILE QG2 1.800 6.530
&rst iat= 727, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 727, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1245, 1246, 1247, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 13 MET QE 49 GLU- HN 1.800 6.530
&rst iat= -1, 745, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 211, 212, 213, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 745, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 47 VAL QG1 49 GLU- HN 1.800 5.540
&rst iat= -1, 745, r1=1.300, r2=1.800, r3=5.540, r4= 6.040,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 717, 718, 719, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 745, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 51 LEU HN 51 LEU QD2 1.800 6.530
&rst iat= 771, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 771, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 784, 785, 786, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 52 ALA HN 52 ALA QB 1.800 4.950
&rst iat= 790, -1, r1=1.300, r2=1.800, r3=4.950, r4= 5.450,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 790, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 794, 795, 796, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 51 LEU HN 51 LEU QD1 1.800 6.530
&rst iat= 771, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 771, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 780, 781, 782, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 51 LEU QD1 52 ALA HN 1.800 6.530
&rst iat= -1, 790, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 780, 781, 782, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 790, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 51 LEU QD2 52 ALA HN 1.800 6.530
&rst iat= -1, 790, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 784, 785, 786, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 790, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 52 ALA QB 53 ASP- HN 1.800 5.910
&rst iat= -1, 800, r1=1.300, r2=1.800, r3=5.910, r4= 6.410,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 794, 795, 796, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 800, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 53 ASP- HN 54 VAL QG1 1.800 6.530
&rst iat= 800, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 800, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 818, 819, 820, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 54 VAL HN 54 VAL QG1 1.800 4.980
&rst iat= 812, -1, r1=1.300, r2=1.800, r3=4.980, r4= 5.480,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 812, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 818, 819, 820, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 52 ALA QB 54 VAL HN 1.800 6.530
&rst iat= -1, 812, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 794, 795, 796, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 812, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 54 VAL HN 56 ALA QB 1.800 6.530
&rst iat= 812, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 812, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 854, 855, 856, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 13 MET QE 54 VAL HN 1.800 6.530
&rst iat= -1, 812, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 211, 212, 213, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 812, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 55 LYS+ HN 56 ALA QB 1.800 6.530
&rst iat= 828, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 828, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 854, 855, 856, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 56 ALA HN 56 ALA QB 1.800 4.880
&rst iat= 850, -1, r1=1.300, r2=1.800, r3=4.880, r4= 5.380,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 850, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 854, 855, 856, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 56 ALA QB 57 VAL HN 1.800 6.430
&rst iat= -1, 860, r1=1.300, r2=1.800, r3=6.430, r4= 6.930,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 854, 855, 856, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 860, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 57 VAL QG2 58 CYSS HN 1.800 6.530
&rst iat= -1, 876, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 870, 871, 872, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 876, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 62 LYS+ HN 63 VAL QG1 1.800 6.530
&rst iat= 938, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 938, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 966, 967, 968, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 63 VAL HN 63 VAL QG1 1.800 6.530
&rst iat= 960, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 960, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 966, 967, 968, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 63 VAL HN 63 VAL QG2 1.800 5.440
&rst iat= 960, -1, r1=1.300, r2=1.800, r3=5.440, r4= 5.940,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 960, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 970, 971, 972, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 63 VAL QG2 73 TYR HN 1.800 6.530
&rst iat= -1, 1100, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 970, 971, 972, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1100, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 64 THR HN 64 THR QG2 1.800 6.530
&rst iat= 976, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 976, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 982, 983, 984, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 63 VAL QG1 64 THR HN 1.800 6.530
&rst iat= -1, 976, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 966, 967, 968, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 976, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 63 VAL QG2 64 THR HN 1.800 6.530
&rst iat= -1, 976, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 970, 971, 972, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 976, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 64 THR QG2 65 CYSS HN 1.800 6.530
&rst iat= -1, 990, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 982, 983, 984, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 990, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 64 THR QG2 68 GLY HN 1.800 6.530
&rst iat= -1, 1036, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 982, 983, 984, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1036, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 64 THR QG2 69 GLN HN 1.800 6.530
&rst iat= -1, 1043, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 982, 983, 984, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1043, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 70 THR HN 70 THR QG2 1.800 6.530
&rst iat=1060, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1060, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1066, 1067, 1068, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 70 THR QG2 71 ASN HN 1.800 6.530
&rst iat= -1, 1074, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1066, 1067, 1068, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1074, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 73 TYR HN 107 ILE QG2 1.800 6.530
&rst iat=1100, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1100, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1655, 1656, 1657, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 63 VAL QG1 74 GLN HN 1.800 6.220
&rst iat= -1, 1121, r1=1.300, r2=1.800, r3=6.220, r4= 6.720,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 966, 967, 968, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1121, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 74 GLN HE21 107 ILE QD1 1.800 6.530
&rst iat=1133, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1133, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1662, 1663, 1664, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 74 GLN HE22 107 ILE QD1 1.800 6.530
&rst iat=1134, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1134, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1662, 1663, 1664, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 75 SER HN 107 ILE QD1 1.800 6.400
&rst iat=1138, -1, r1=1.300, r2=1.800, r3=6.400, r4= 6.900,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1138, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1662, 1663, 1664, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 75 SER HN 106 ILE QG2 1.800 6.530
&rst iat=1138, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1138, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1636, 1637, 1638, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 57 VAL QG1 75 SER HN 1.800 6.530
&rst iat= -1, 1138, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 866, 867, 868, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1138, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 57 VAL QG1 76 LYS+ HN 1.800 6.530
&rst iat= -1, 1149, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 866, 867, 868, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1149, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 57 VAL QG2 76 LYS+ HN 1.800 6.530
&rst iat= -1, 1149, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 870, 871, 872, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1149, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 78 THR HN 78 THR QG2 1.800 5.320
&rst iat=1182, -1, r1=1.300, r2=1.800, r3=5.320, r4= 5.820,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1182, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1188, 1189, 1190, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 81 ILE HN 81 ILE QG2 1.800 6.530
&rst iat=1239, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1239, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1245, 1246, 1247, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 81 ILE HN 81 ILE QD1 1.800 6.530
&rst iat=1239, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1239, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1252, 1253, 1254, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 45 THR QG2 82 THR HN 1.800 6.530
&rst iat= -1, 1258, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 683, 684, 685, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1258, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 82 THR QG2 83 ASP- HN 1.800 6.400
&rst iat= -1, 1272, r1=1.300, r2=1.800, r3=6.400, r4= 6.900,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1264, 1265, 1266, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1272, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 83 ASP- HN 102 VAL QG2 1.800 6.530
&rst iat=1272, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1272, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1569, 1570, 1571, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 45 THR QG2 84 CYSS HN 1.800 6.530
&rst iat= -1, 1284, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 683, 684, 685, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1284, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 43 VAL QG1 85 ARG+ HE 1.800 6.530
&rst iat= -1, 1309, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 653, 654, 655, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1309, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 43 VAL QG1 86 GLU- HN 1.800 6.530
&rst iat= -1, 1320, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 653, 654, 655, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1320, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 87 THR HN 87 THR QG2 1.800 5.940
&rst iat=1335, -1, r1=1.300, r2=1.800, r3=5.940, r4= 6.440,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1335, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1341, 1342, 1343, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 87 THR QG2 88 GLY HN 1.800 6.530
&rst iat= -1, 1349, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1341, 1342, 1343, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1349, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 87 THR QG2 89 SER HN 1.800 6.530
&rst iat= -1, 1356, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1341, 1342, 1343, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1356, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 91 LYS+ HN 96 ALA QB 1.800 6.530
&rst iat=1378, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1378, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1465, 1466, 1467, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 96 ALA HN 96 ALA QB 1.800 6.120
&rst iat=1461, -1, r1=1.300, r2=1.800, r3=6.120, r4= 6.620,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1461, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1465, 1466, 1467, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 96 ALA QB 97 TYR HN 1.800 6.530
&rst iat= -1, 1471, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1465, 1466, 1467, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1471, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 87 THR QG2 98 LYS+ HN 1.800 6.530
&rst iat= -1, 1492, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1341, 1342, 1343, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1492, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 99 THR HN 99 THR QG2 1.800 6.530
&rst iat=1514, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1514, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1520, 1521, 1522, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 100 THR HN 100 THR QG2 1.800 6.530
&rst iat=1528, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1528, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1534, 1535, 1536, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 99 THR QG2 100 THR HN 1.800 6.530
&rst iat= -1, 1528, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1520, 1521, 1522, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1528, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 100 THR QG2 101 GLN HN 1.800 6.530
&rst iat= -1, 1542, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1534, 1535, 1536, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1542, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 102 VAL HN 102 VAL QG2 1.800 6.470
&rst iat=1559, -1, r1=1.300, r2=1.800, r3=6.470, r4= 6.970,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1559, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1569, 1570, 1571, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 102 VAL QG1 103 GLU- HN 1.800 6.530
&rst iat= -1, 1575, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1565, 1566, 1567, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1575, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 102 VAL QG2 103 GLU- HN 1.800 6.530
&rst iat= -1, 1575, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1569, 1570, 1571, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1575, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 105 HIS+ HN 124 VAL QG2 1.800 6.530
&rst iat=1612, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1612, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1894, 1895, 1896, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 106 ILE HN 106 ILE QD1 1.800 6.530
&rst iat=1630, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1630, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1643, 1644, 1645, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 106 ILE HN 107 ILE QD1 1.800 6.530
&rst iat=1630, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1630, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1662, 1663, 1664, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 107 ILE HN 107 ILE QD1 1.800 6.310
&rst iat=1649, -1, r1=1.300, r2=1.800, r3=6.310, r4= 6.810,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1649, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1662, 1663, 1664, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 107 ILE HN 107 ILE QG2 1.800 6.530
&rst iat=1649, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1649, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1655, 1656, 1657, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 109 ALA QB 110 CYSS HN 1.800 6.280
&rst iat= -1, 1694, r1=1.300, r2=1.800, r3=6.280, r4= 6.780,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1688, 1689, 1690, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1694, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 108 VAL QG2 110 CYSS HN 1.800 6.530
&rst iat= -1, 1694, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1678, 1679, 1680, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1694, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 111 GLY HN 118 VAL QG1 1.800 6.280
&rst iat=1706, -1, r1=1.300, r2=1.800, r3=6.280, r4= 6.780,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1706, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1803, 1804, 1805, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 111 GLY HN 118 VAL QG2 1.800 6.000
&rst iat=1706, -1, r1=1.300, r2=1.800, r3=6.000, r4= 6.500,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1706, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1807, 1808, 1809, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 116 VAL HN 116 VAL QG1 1.800 5.040
&rst iat=1767, -1, r1=1.300, r2=1.800, r3=5.040, r4= 5.540,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1767, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1773, 1774, 1775, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 109 ALA QB 118 VAL HN 1.800 6.530
&rst iat= -1, 1797, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1688, 1689, 1690, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1797, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 118 VAL HN 118 VAL QG2 1.800 5.660
&rst iat=1797, -1, r1=1.300, r2=1.800, r3=5.660, r4= 6.160,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1797, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1807, 1808, 1809, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 118 VAL QG1 119 HIS+ HN 1.800 6.530
&rst iat= -1, 1813, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1803, 1804, 1805, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1813, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 118 VAL QG2 119 HIS+ HN 1.800 6.530
&rst iat= -1, 1813, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1807, 1808, 1809, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1813, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 109 ALA QB 121 ASP- HN 1.800 6.530
&rst iat= -1, 1851, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1688, 1689, 1690, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1851, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 108 VAL QG1 121 ASP- HN 1.800 6.530
&rst iat= -1, 1851, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1674, 1675, 1676, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1851, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 107 ILE QG2 121 ASP- HN 1.800 6.530
&rst iat= -1, 1851, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1655, 1656, 1657, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1851, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 122 ALA HN 122 ALA QB 1.800 6.530
&rst iat=1863, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1863, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1867, 1868, 1869, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 107 ILE QG2 122 ALA HN 1.800 6.530
&rst iat= -1, 1863, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1655, 1656, 1657, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1863, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 107 ILE QD1 122 ALA HN 1.800 6.530
&rst iat= -1, 1863, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1662, 1663, 1664, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1863, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 122 ALA QB 123 SER HN 1.800 5.130
&rst iat= -1, 1873, r1=1.300, r2=1.800, r3=5.130, r4= 5.630,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1867, 1868, 1869, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1873, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 107 ILE QD1 123 SER HN 1.800 6.530
&rst iat= -1, 1873, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1662, 1663, 1664, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1873, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 124 VAL HN 124 VAL QG1 1.800 6.090
&rst iat=1884, -1, r1=1.300, r2=1.800, r3=6.090, r4= 6.590,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1884, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1890, 1891, 1892, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 124 VAL HN 124 VAL QG2 1.800 6.280
&rst iat=1884, -1, r1=1.300, r2=1.800, r3=6.280, r4= 6.780,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1884, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1894, 1895, 1896, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 3 SER HN 4 ALA QB 1.800 6.120
&rst iat= 41, -1, r1=1.300, r2=1.800, r3=6.120, r4= 6.620,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 41, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 56, 57, 58, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 4 ALA HN 5 ALA QB 1.800 6.530
&rst iat= 52, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 52, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 66, 67, 68, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 79 MET HN 106 ILE QG2 1.800 6.530
&rst iat=1196, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1196, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1636, 1637, 1638, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 106 ILE QG2 124 VAL HN 1.800 6.530
&rst iat= -1, 1884, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1636, 1637, 1638, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1884, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 5 ALA HN 118 VAL QG1 1.800 6.530
&rst iat= 62, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 62, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1803, 1804, 1805, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 13 MET QE 50 SER HN 1.800 6.530
&rst iat= -1, 760, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 211, 212, 213, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 760, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 26 CYSS HN 99 THR QG2 1.800 6.530
&rst iat= 365, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 365, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1520, 1521, 1522, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 47 VAL HN 81 ILE QG2 1.800 6.530
&rst iat= 711, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 711, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1245, 1246, 1247, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 2 GLU- HA 2 GLU- HB3 1.800 3.450
&rst iat= 28, 31, r1=1.300, r2=1.800, r3=3.450, r4= 3.950,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 2 GLU- HA 2 GLU- HB2 1.800 3.450
&rst iat= 28, 30, r1=1.300, r2=1.800, r3=3.450, r4= 3.950,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 3 SER HA 3 SER HB3 1.800 2.770
&rst iat= 43, 46, r1=1.300, r2=1.800, r3=2.770, r4= 3.270,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 89 SER HA 89 SER HB3 1.800 2.550
&rst iat=1358, 1361, r1=1.300, r2=1.800, r3=2.550, r4= 3.050,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 3 SER HA 3 SER HB2 1.800 2.830
&rst iat= 43, 45, r1=1.300, r2=1.800, r3=2.830, r4= 3.330,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 4 ALA HA 7 LYS+ HB3 1.800 3.210
&rst iat= 54, 87, r1=1.300, r2=1.800, r3=3.210, r4= 3.710,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 7 LYS+ HA 7 LYS+ HB3 1.800 3.080
&rst iat= 84, 87, r1=1.300, r2=1.800, r3=3.080, r4= 3.580,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 7 LYS+ HA 7 LYS+ HB2 1.800 2.860
&rst iat= 84, 86, r1=1.300, r2=1.800, r3=2.860, r4= 3.360,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 9 GLU- HA 9 GLU- HB3 1.800 2.830
&rst iat= 126, 129, r1=1.300, r2=1.800, r3=2.830, r4= 3.330,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 9 GLU- HA 9 GLU- HB2 1.800 3.270
&rst iat= 126, 128, r1=1.300, r2=1.800, r3=3.270, r4= 3.770,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 9 GLU- HB3 10 ARG+ HA 1.800 3.550
&rst iat= 129, 141, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 11 GLN HA 11 GLN HB3 1.800 3.450
&rst iat= 165, 168, r1=1.300, r2=1.800, r3=3.450, r4= 3.950,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 11 GLN HA 11 GLN HB2 1.800 3.170
&rst iat= 165, 167, r1=1.300, r2=1.800, r3=3.170, r4= 3.670,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 12 HIS+ HA 12 HIS+ HB3 1.800 3.110
&rst iat= 182, 185, r1=1.300, r2=1.800, r3=3.110, r4= 3.610,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 12 HIS+ HA 12 HIS+ HB2 1.800 3.390
&rst iat= 182, 184, r1=1.300, r2=1.800, r3=3.390, r4= 3.890,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 12 HIS+ HA 47 VAL HN 1.800 5.410
&rst iat= 182, 711, r1=1.300, r2=1.800, r3=5.410, r4= 5.910,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 13 MET HA 13 MET HB3 1.800 3.390
&rst iat= 200, 203, r1=1.300, r2=1.800, r3=3.390, r4= 3.890,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 13 MET HA 13 MET HB2 1.800 3.330
&rst iat= 200, 202, r1=1.300, r2=1.800, r3=3.330, r4= 3.830,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 13 MET HA 47 VAL HA 1.800 5.470
&rst iat= 200, 713, r1=1.300, r2=1.800, r3=5.470, r4= 5.970,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 13 MET HA 47 VAL HN 1.800 3.830
&rst iat= 200, 711, r1=1.300, r2=1.800, r3=3.830, r4= 4.330,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 14 ASP- HN 14 ASP- HA 1.800 2.830
&rst iat= 217, 219, r1=1.300, r2=1.800, r3=2.830, r4= 3.330,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 14 ASP- HA 14 ASP- HB2 1.800 3.110
&rst iat= 219, 221, r1=1.300, r2=1.800, r3=3.110, r4= 3.610,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 15 SER HA 15 SER HB3 1.800 2.800
&rst iat= 231, 234, r1=1.300, r2=1.800, r3=2.800, r4= 3.300,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 15 SER HA 15 SER HB2 1.800 3.140
&rst iat= 231, 233, r1=1.300, r2=1.800, r3=3.140, r4= 3.640,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 16 GLY HA2 16 GLY HA1 1.800 2.520
&rst iat= 243, 242, r1=1.300, r2=1.800, r3=2.520, r4= 3.020,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 17 ASN HA 17 ASN HB2 1.800 2.590
&rst iat= 249, 251, r1=1.300, r2=1.800, r3=2.590, r4= 3.090,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 18 SER HA 18 SER HB2 1.800 5.190
&rst iat= 263, 265, r1=1.300, r2=1.800, r3=5.190, r4= 5.690,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 19 PRO HB3 19 PRO HA 1.800 2.960
&rst iat= 280, 282, r1=1.300, r2=1.800, r3=2.960, r4= 3.460,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 19 PRO HB2 19 PRO HA 1.800 3.300
&rst iat= 279, 282, r1=1.300, r2=1.800, r3=3.300, r4= 3.800,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 20 SER HA 20 SER HB3 1.800 2.800
&rst iat= 288, 291, r1=1.300, r2=1.800, r3=2.800, r4= 3.300,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 20 SER HA 20 SER HB2 1.800 2.830
&rst iat= 288, 290, r1=1.300, r2=1.800, r3=2.830, r4= 3.330,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 21 SER HA 21 SER HB2 1.800 2.520
&rst iat= 299, 301, r1=1.300, r2=1.800, r3=2.520, r4= 3.020,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 20 SER HB2 21 SER HA 1.800 4.320
&rst iat= 290, 299, r1=1.300, r2=1.800, r3=4.320, r4= 4.820,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 22 SER HA 22 SER HB2 1.800 2.960
&rst iat= 310, 312, r1=1.300, r2=1.800, r3=2.960, r4= 3.460,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 22 SER HA 22 SER HB3 1.800 3.520
&rst iat= 310, 313, r1=1.300, r2=1.800, r3=3.520, r4= 4.020,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 23 SER HA 23 SER HB3 1.800 2.860
&rst iat= 321, 324, r1=1.300, r2=1.800, r3=2.860, r4= 3.360,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 23 SER HA 23 SER HB2 1.800 2.740
&rst iat= 321, 323, r1=1.300, r2=1.800, r3=2.740, r4= 3.240,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 24 ASN HA 24 ASN HB2 1.800 2.860
&rst iat= 332, 334, r1=1.300, r2=1.800, r3=2.860, r4= 3.360,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 24 ASN HA 24 ASN HB3 1.800 2.800
&rst iat= 332, 335, r1=1.300, r2=1.800, r3=2.800, r4= 3.300,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 25 TYR HA 25 TYR HB2 1.800 3.050
&rst iat= 346, 348, r1=1.300, r2=1.800, r3=3.050, r4= 3.550,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 25 TYR HA 25 TYR HB3 1.800 3.450
&rst iat= 346, 349, r1=1.300, r2=1.800, r3=3.450, r4= 3.950,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 25 TYR HA 28 LEU HB2 1.800 3.390
&rst iat= 346, 395, r1=1.300, r2=1.800, r3=3.390, r4= 3.890,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 26 CYSS HA 29 MET HB3 1.800 4.880
&rst iat= 367, 415, r1=1.300, r2=1.800, r3=4.880, r4= 5.380,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 26 CYSS HA 26 CYSS HB2 1.800 3.760
&rst iat= 367, 369, r1=1.300, r2=1.800, r3=3.760, r4= 4.260,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 26 CYSS HA 26 CYSS HB3 1.800 3.830
&rst iat= 367, 370, r1=1.300, r2=1.800, r3=3.830, r4= 4.330,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 28 LEU HA 28 LEU HB3 1.800 3.050
&rst iat= 393, 396, r1=1.300, r2=1.800, r3=3.050, r4= 3.550,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 28 LEU HA 28 LEU HB2 1.800 2.860
&rst iat= 393, 395, r1=1.300, r2=1.800, r3=2.860, r4= 3.360,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 27 ASN HB2 28 LEU HA 1.800 4.200
&rst iat= 381, 393, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 28 LEU HA 31 CYS HB3 1.800 4.200
&rst iat= 393, 453, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 28 LEU HB3 29 MET HN 1.800 5.500
&rst iat= 396, 410, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 29 MET HN 29 MET HB3 1.800 4.660
&rst iat= 410, 415, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 31 CYS HA 31 CYS HB3 1.800 3.520
&rst iat= 450, 453, r1=1.300, r2=1.800, r3=3.520, r4= 4.020,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 31 CYS HA 31 CYS HB2 1.800 3.640
&rst iat= 450, 452, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 32 CYS HA 32 CYS HB3 1.800 3.080
&rst iat= 463, 466, r1=1.300, r2=1.800, r3=3.080, r4= 3.580,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 32 CYS HA 32 CYS HB2 1.800 3.080
&rst iat= 463, 465, r1=1.300, r2=1.800, r3=3.080, r4= 3.580,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 29 MET HA 32 CYS HB3 1.800 4.420
&rst iat= 412, 466, r1=1.300, r2=1.800, r3=4.420, r4= 4.920,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 29 MET HA 32 CYS HB2 1.800 5.100
&rst iat= 412, 465, r1=1.300, r2=1.800, r3=5.100, r4= 5.600,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 33 ARG+ HA 33 ARG+ HB2 1.800 3.760
&rst iat= 476, 478, r1=1.300, r2=1.800, r3=3.760, r4= 4.260,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 33 ARG+ HA 34 LYS+ HB2 1.800 5.380
&rst iat= 476, 502, r1=1.300, r2=1.800, r3=5.380, r4= 5.880,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 33 ARG+ HA 33 ARG+ HB3 1.800 3.520
&rst iat= 476, 479, r1=1.300, r2=1.800, r3=3.520, r4= 4.020,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 34 LYS+ HA 34 LYS+ HB3 1.800 2.960
&rst iat= 500, 503, r1=1.300, r2=1.800, r3=2.960, r4= 3.460,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 34 LYS+ HA 34 LYS+ HB2 1.800 3.240
&rst iat= 500, 502, r1=1.300, r2=1.800, r3=3.240, r4= 3.740,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 35 MET HA 35 MET HB3 1.800 3.270
&rst iat= 522, 525, r1=1.300, r2=1.800, r3=3.270, r4= 3.770,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 35 MET HA 35 MET HB2 1.800 4.170
&rst iat= 522, 524, r1=1.300, r2=1.800, r3=4.170, r4= 4.670,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 36 THR HA 36 THR HB 1.800 2.650
&rst iat= 541, 543, r1=1.300, r2=1.800, r3=2.650, r4= 3.150,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 36 THR HA 40 CYSS HB2 1.800 5.070
&rst iat= 541, 603, r1=1.300, r2=1.800, r3=5.070, r4= 5.570,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 36 THR HA 40 CYSS HB3 1.800 5.280
&rst iat= 541, 604, r1=1.300, r2=1.800, r3=5.280, r4= 5.780,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 41 LYS+ HA 43 VAL HN 1.800 3.730
&rst iat= 613, 647, r1=1.300, r2=1.800, r3=3.730, r4= 4.230,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 60 GLN HA 60 GLN HB3 1.800 2.860
&rst iat= 901, 904, r1=1.300, r2=1.800, r3=2.860, r4= 3.360,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 41 LYS+ HA 41 LYS+ HB2 1.800 2.860
&rst iat= 613, 615, r1=1.300, r2=1.800, r3=2.860, r4= 3.360,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 37 GLN HA 37 GLN HB2 1.800 2.960
&rst iat= 555, 557, r1=1.300, r2=1.800, r3=2.960, r4= 3.460,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 38 GLY HA2 38 GLY HA1 1.800 2.740
&rst iat= 573, 572, r1=1.300, r2=1.800, r3=2.740, r4= 3.240,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 39 LYS+ HA 39 LYS+ HB3 1.800 2.830
&rst iat= 579, 582, r1=1.300, r2=1.800, r3=2.830, r4= 3.330,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 39 LYS+ HA 39 LYS+ HB2 1.800 2.860
&rst iat= 579, 581, r1=1.300, r2=1.800, r3=2.860, r4= 3.360,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 39 LYS+ HA 40 CYSS HB3 1.800 4.630
&rst iat= 579, 604, r1=1.300, r2=1.800, r3=4.630, r4= 5.130,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 40 CYSS HA 40 CYSS HB2 1.800 3.240
&rst iat= 601, 603, r1=1.300, r2=1.800, r3=3.240, r4= 3.740,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 41 LYS+ HA 41 LYS+ HB3 1.800 2.900
&rst iat= 613, 616, r1=1.300, r2=1.800, r3=2.900, r4= 3.400,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 42 PRO HA 86 GLU- HA 1.800 5.070
&rst iat= 643, 1322, r1=1.300, r2=1.800, r3=5.070, r4= 5.570,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 42 PRO HB2 42 PRO HA 1.800 2.740
&rst iat= 640, 643, r1=1.300, r2=1.800, r3=2.740, r4= 3.240,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 42 PRO HB3 42 PRO HA 1.800 2.710
&rst iat= 641, 643, r1=1.300, r2=1.800, r3=2.710, r4= 3.210,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 81 ILE HA 82 THR HA 1.800 4.380
&rst iat=1241, 1260, r1=1.300, r2=1.800, r3=4.380, r4= 4.880,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 47 VAL HA 81 ILE HA 1.800 3.020
&rst iat= 713, 1241, r1=1.300, r2=1.800, r3=3.020, r4= 3.520,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 43 VAL HA 43 VAL HB 1.800 2.900
&rst iat= 649, 651, r1=1.300, r2=1.800, r3=2.900, r4= 3.400,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 81 ILE HA 81 ILE HB 1.800 2.960
&rst iat=1241, 1243, r1=1.300, r2=1.800, r3=2.960, r4= 3.460,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 43 VAL HA 44 ASN HN 1.800 3.390
&rst iat= 649, 663, r1=1.300, r2=1.800, r3=3.390, r4= 3.890,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 92 TYR HB2 95 CYSS HA 1.800 4.760
&rst iat=1404, 1451, r1=1.300, r2=1.800, r3=4.760, r4= 5.260,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 104 LYS+ HA 104 LYS+ HB3 1.800 2.960
&rst iat=1592, 1595, r1=1.300, r2=1.800, r3=2.960, r4= 3.460,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 44 ASN HA 44 ASN HB2 1.800 3.330
&rst iat= 665, 667, r1=1.300, r2=1.800, r3=3.330, r4= 3.830,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 104 LYS+ HA 104 LYS+ HB2 1.800 2.830
&rst iat=1592, 1594, r1=1.300, r2=1.800, r3=2.830, r4= 3.330,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 43 VAL HN 44 ASN HA 1.800 5.440
&rst iat= 647, 665, r1=1.300, r2=1.800, r3=5.440, r4= 5.940,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 104 LYS+ HN 104 LYS+ HA 1.800 3.210
&rst iat=1590, 1592, r1=1.300, r2=1.800, r3=3.210, r4= 3.710,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 44 ASN HA 44 ASN HB3 1.800 3.240
&rst iat= 665, 668, r1=1.300, r2=1.800, r3=3.240, r4= 3.740,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 45 THR HA 45 THR HB 1.800 3.550
&rst iat= 679, 681, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 45 THR HN 45 THR HA 1.800 3.980
&rst iat= 677, 679, r1=1.300, r2=1.800, r3=3.980, r4= 4.480,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 45 THR HA 46 PHE HN 1.800 2.990
&rst iat= 679, 691, r1=1.300, r2=1.800, r3=2.990, r4= 3.490,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 46 PHE HA 46 PHE HB2 1.800 4.850
&rst iat= 693, 695, r1=1.300, r2=1.800, r3=4.850, r4= 5.350,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 46 PHE HA 46 PHE HB3 1.800 3.420
&rst iat= 693, 696, r1=1.300, r2=1.800, r3=3.420, r4= 3.920,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 46 PHE HN 46 PHE HA 1.800 3.170
&rst iat= 691, 693, r1=1.300, r2=1.800, r3=3.170, r4= 3.670,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 46 PHE HN 46 PHE HB3 1.800 3.890
&rst iat= 691, 696, r1=1.300, r2=1.800, r3=3.890, r4= 4.390,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 47 VAL HA 47 VAL HB 1.800 3.520
&rst iat= 713, 715, r1=1.300, r2=1.800, r3=3.520, r4= 4.020,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 47 VAL HA 82 THR HN 1.800 4.450
&rst iat= 713, 1258, r1=1.300, r2=1.800, r3=4.450, r4= 4.950,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 15 SER HA 48 HIS+ HA 1.800 3.080
&rst iat= 231, 729, r1=1.300, r2=1.800, r3=3.080, r4= 3.580,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 48 HIS+ HA 48 HIS+ HB2 1.800 3.240
&rst iat= 729, 731, r1=1.300, r2=1.800, r3=3.240, r4= 3.740,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 48 HIS+ HA 48 HIS+ HB3 1.800 3.700
&rst iat= 729, 732, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 49 GLU- HA 49 GLU- HB3 1.800 4.600
&rst iat= 747, 750, r1=1.300, r2=1.800, r3=4.600, r4= 5.100,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 50 SER HA 50 SER HB2 1.800 2.990
&rst iat= 762, 764, r1=1.300, r2=1.800, r3=2.990, r4= 3.490,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 51 LEU HA 54 VAL HB 1.800 3.080
&rst iat= 773, 816, r1=1.300, r2=1.800, r3=3.080, r4= 3.580,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 51 LEU HA 51 LEU HB2 1.800 2.650
&rst iat= 773, 775, r1=1.300, r2=1.800, r3=2.650, r4= 3.150,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 51 LEU HA 53 ASP- HN 1.800 4.040
&rst iat= 773, 800, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 51 LEU HA 55 LYS+ HN 1.800 4.450
&rst iat= 773, 828, r1=1.300, r2=1.800, r3=4.450, r4= 4.950,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 51 LEU HA 51 LEU HB3 1.800 3.360
&rst iat= 773, 776, r1=1.300, r2=1.800, r3=3.360, r4= 3.860,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 52 ALA HA 55 LYS+ HB2 1.800 3.050
&rst iat= 792, 832, r1=1.300, r2=1.800, r3=3.050, r4= 3.550,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 52 ALA HA 55 LYS+ HN 1.800 4.040
&rst iat= 792, 828, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 53 ASP- HA 53 ASP- HB2 1.800 3.080
&rst iat= 802, 804, r1=1.300, r2=1.800, r3=3.080, r4= 3.580,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 53 ASP- HA 53 ASP- HB3 1.800 3.360
&rst iat= 802, 805, r1=1.300, r2=1.800, r3=3.360, r4= 3.860,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 53 ASP- HN 53 ASP- HB3 1.800 4.040
&rst iat= 800, 805, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 54 VAL HA 54 VAL HB 1.800 3.210
&rst iat= 814, 816, r1=1.300, r2=1.800, r3=3.210, r4= 3.710,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 54 VAL HA 57 VAL HN 1.800 3.830
&rst iat= 814, 860, r1=1.300, r2=1.800, r3=3.830, r4= 4.330,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 54 VAL HN 54 VAL HA 1.800 3.610
&rst iat= 812, 814, r1=1.300, r2=1.800, r3=3.610, r4= 4.110,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 54 VAL HN 54 VAL HB 1.800 3.300
&rst iat= 812, 816, r1=1.300, r2=1.800, r3=3.300, r4= 3.800,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 54 VAL HB 55 LYS+ HN 1.800 3.550
&rst iat= 816, 828, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 55 LYS+ HA 55 LYS+ HB3 1.800 3.640
&rst iat= 830, 833, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 55 LYS+ HN 55 LYS+ HB2 1.800 3.790
&rst iat= 828, 832, r1=1.300, r2=1.800, r3=3.790, r4= 4.290,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 57 VAL HA 60 GLN HB3 1.800 3.210
&rst iat= 862, 904, r1=1.300, r2=1.800, r3=3.210, r4= 3.710,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 57 VAL HA 57 VAL HB 1.800 3.480
&rst iat= 862, 864, r1=1.300, r2=1.800, r3=3.480, r4= 3.980,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 57 VAL HA 75 SER HA 1.800 4.350
&rst iat= 862, 1140, r1=1.300, r2=1.800, r3=4.350, r4= 4.850,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 57 VAL HA 58 CYSS HN 1.800 4.200
&rst iat= 862, 876, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 57 VAL HN 57 VAL HA 1.800 3.140
&rst iat= 860, 862, r1=1.300, r2=1.800, r3=3.140, r4= 3.640,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 58 CYSS HA 58 CYSS HB2 1.800 3.300
&rst iat= 878, 880, r1=1.300, r2=1.800, r3=3.300, r4= 3.800,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 58 CYSS HA 58 CYSS HB3 1.800 3.210
&rst iat= 878, 881, r1=1.300, r2=1.800, r3=3.210, r4= 3.710,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 58 CYSS HN 58 CYSS HA 1.800 3.140
&rst iat= 876, 878, r1=1.300, r2=1.800, r3=3.140, r4= 3.640,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 58 CYSS HN 58 CYSS HB2 1.800 3.580
&rst iat= 876, 880, r1=1.300, r2=1.800, r3=3.580, r4= 4.080,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 59 SER HA 59 SER HB2 1.800 2.770
&rst iat= 890, 892, r1=1.300, r2=1.800, r3=2.770, r4= 3.270,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 59 SER HA 59 SER HB3 1.800 3.550
&rst iat= 890, 893, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 60 GLN HA 60 GLN HB2 1.800 3.520
&rst iat= 901, 903, r1=1.300, r2=1.800, r3=3.520, r4= 4.020,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 57 VAL HA 60 GLN HB2 1.800 3.890
&rst iat= 862, 903, r1=1.300, r2=1.800, r3=3.890, r4= 4.390,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 30 MET HA 30 MET HB3 1.800 3.110
&rst iat= 431, 434, r1=1.300, r2=1.800, r3=3.110, r4= 3.610,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 30 MET HA 30 MET HB2 1.800 3.670
&rst iat= 431, 433, r1=1.300, r2=1.800, r3=3.670, r4= 4.170,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 61 LYS+ HA 61 LYS+ HB3 1.800 2.930
&rst iat= 918, 921, r1=1.300, r2=1.800, r3=2.930, r4= 3.430,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 61 LYS+ HA 61 LYS+ HB2 1.800 2.930
&rst iat= 918, 920, r1=1.300, r2=1.800, r3=2.930, r4= 3.430,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 62 LYS+ HA 62 LYS+ HB2 1.800 2.770
&rst iat= 940, 942, r1=1.300, r2=1.800, r3=2.770, r4= 3.270,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 62 LYS+ HA 73 TYR HA 1.800 3.020
&rst iat= 940, 1102, r1=1.300, r2=1.800, r3=3.020, r4= 3.520,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 62 LYS+ HA 63 VAL HN 1.800 2.900
&rst iat= 940, 960, r1=1.300, r2=1.800, r3=2.900, r4= 3.400,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 62 LYS+ HA 74 GLN HN 1.800 3.950
&rst iat= 940, 1121, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 62 LYS+ HA 62 LYS+ HB3 1.800 3.270
&rst iat= 940, 943, r1=1.300, r2=1.800, r3=3.270, r4= 3.770,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 63 VAL HA 63 VAL HB 1.800 2.650
&rst iat= 962, 964, r1=1.300, r2=1.800, r3=2.650, r4= 3.150,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 23 SER HN 23 SER HA 1.800 4.070
&rst iat= 319, 321, r1=1.300, r2=1.800, r3=4.070, r4= 4.570,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 66 LYS+ HA 66 LYS+ HB2 1.800 2.830
&rst iat=1004, 1006, r1=1.300, r2=1.800, r3=2.830, r4= 3.330,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 66 LYS+ HA 66 LYS+ HB3 1.800 2.930
&rst iat=1004, 1007, r1=1.300, r2=1.800, r3=2.930, r4= 3.430,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 67 ASP- HA 67 ASP- HB2 1.800 2.740
&rst iat=1026, 1028, r1=1.300, r2=1.800, r3=2.740, r4= 3.240,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 67 ASP- HA 67 ASP- HB3 1.800 2.710
&rst iat=1026, 1029, r1=1.300, r2=1.800, r3=2.710, r4= 3.210,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 68 GLY HA1 68 GLY HA2 1.800 2.400
&rst iat=1038, 1039, r1=1.300, r2=1.800, r3=2.400, r4= 2.900,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 69 GLN HA 69 GLN HB2 1.800 2.740
&rst iat=1045, 1047, r1=1.300, r2=1.800, r3=2.740, r4= 3.240,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 69 GLN HA 69 GLN HB3 1.800 3.950
&rst iat=1045, 1048, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 70 THR HA 70 THR HB 1.800 2.520
&rst iat=1062, 1064, r1=1.300, r2=1.800, r3=2.520, r4= 3.020,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 71 ASN HA 71 ASN HB3 1.800 2.930
&rst iat=1076, 1079, r1=1.300, r2=1.800, r3=2.930, r4= 3.430,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 71 ASN HA 71 ASN HB2 1.800 2.860
&rst iat=1076, 1078, r1=1.300, r2=1.800, r3=2.860, r4= 3.360,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 72 CYSS HA 72 CYSS HB3 1.800 4.450
&rst iat=1090, 1093, r1=1.300, r2=1.800, r3=4.450, r4= 4.950,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 81 ILE HA 82 THR HN 1.800 3.330
&rst iat=1241, 1258, r1=1.300, r2=1.800, r3=3.330, r4= 3.830,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 73 TYR HA 74 GLN HB2 1.800 5.280
&rst iat=1102, 1125, r1=1.300, r2=1.800, r3=5.280, r4= 5.780,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 73 TYR HA 73 TYR HB2 1.800 3.420
&rst iat=1102, 1104, r1=1.300, r2=1.800, r3=3.420, r4= 3.920,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 73 TYR HA 74 GLN HB3 1.800 5.250
&rst iat=1102, 1126, r1=1.300, r2=1.800, r3=5.250, r4= 5.750,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 73 TYR HA 73 TYR HB3 1.800 3.330
&rst iat=1102, 1105, r1=1.300, r2=1.800, r3=3.330, r4= 3.830,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 73 TYR HA 74 GLN HA 1.800 5.100
&rst iat=1102, 1123, r1=1.300, r2=1.800, r3=5.100, r4= 5.600,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 73 TYR HN 73 TYR HA 1.800 4.040
&rst iat=1100, 1102, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 73 TYR HN 73 TYR HB2 1.800 4.570
&rst iat=1100, 1104, r1=1.300, r2=1.800, r3=4.570, r4= 5.070,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 73 TYR HN 73 TYR HB3 1.800 5.410
&rst iat=1100, 1105, r1=1.300, r2=1.800, r3=5.410, r4= 5.910,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 74 GLN HA 107 ILE HA 1.800 3.450
&rst iat=1123, 1651, r1=1.300, r2=1.800, r3=3.450, r4= 3.950,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 74 GLN HA 74 GLN HB2 1.800 3.980
&rst iat=1123, 1125, r1=1.300, r2=1.800, r3=3.980, r4= 4.480,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 74 GLN HA 74 GLN HB3 1.800 3.580
&rst iat=1123, 1126, r1=1.300, r2=1.800, r3=3.580, r4= 4.080,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 76 LYS+ HA 77 SER HA 1.800 4.970
&rst iat=1151, 1173, r1=1.300, r2=1.800, r3=4.970, r4= 5.470,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 77 SER HA 77 SER HB3 1.800 2.710
&rst iat=1173, 1176, r1=1.300, r2=1.800, r3=2.710, r4= 3.210,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 77 SER HA 78 THR HA 1.800 5.250
&rst iat=1173, 1184, r1=1.300, r2=1.800, r3=5.250, r4= 5.750,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 76 LYS+ HB2 77 SER HA 1.800 5.040
&rst iat=1153, 1173, r1=1.300, r2=1.800, r3=5.040, r4= 5.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 77 SER HA 77 SER HB2 1.800 2.710
&rst iat=1173, 1175, r1=1.300, r2=1.800, r3=2.710, r4= 3.210,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 78 THR HA 78 THR HB 1.800 2.680
&rst iat=1184, 1186, r1=1.300, r2=1.800, r3=2.680, r4= 3.180,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 78 THR HA 105 HIS+ HA 1.800 3.140
&rst iat=1184, 1614, r1=1.300, r2=1.800, r3=3.140, r4= 3.640,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 78 THR HA 104 LYS+ HA 1.800 4.040
&rst iat=1184, 1592, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 78 THR HA 104 LYS+ HN 1.800 4.040
&rst iat=1184, 1590, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 78 THR HA 79 MET HN 1.800 2.740
&rst iat=1184, 1196, r1=1.300, r2=1.800, r3=2.740, r4= 3.240,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 78 THR HB 79 MET HA 1.800 5.280
&rst iat=1186, 1198, r1=1.300, r2=1.800, r3=5.280, r4= 5.780,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 78 THR HB 79 MET HN 1.800 3.270
&rst iat=1186, 1196, r1=1.300, r2=1.800, r3=3.270, r4= 3.770,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 113 LYS+ HA 114 PRO HA 1.800 2.650
&rst iat=1722, 1752, r1=1.300, r2=1.800, r3=2.650, r4= 3.150,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 114 PRO HB3 114 PRO HA 1.800 2.930
&rst iat=1750, 1752, r1=1.300, r2=1.800, r3=2.930, r4= 3.430,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 114 PRO HB2 114 PRO HA 1.800 2.990
&rst iat=1749, 1752, r1=1.300, r2=1.800, r3=2.990, r4= 3.490,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 113 LYS+ HB2 114 PRO HA 1.800 3.140
&rst iat=1724, 1752, r1=1.300, r2=1.800, r3=3.140, r4= 3.640,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 40 CYSS HA 40 CYSS HB3 1.800 3.170
&rst iat= 601, 604, r1=1.300, r2=1.800, r3=3.170, r4= 3.670,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 81 ILE HB 82 THR HN 1.800 3.300
&rst iat=1243, 1258, r1=1.300, r2=1.800, r3=3.300, r4= 3.800,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 82 THR HA 83 ASP- HN 1.800 4.480
&rst iat=1260, 1272, r1=1.300, r2=1.800, r3=4.480, r4= 4.980,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 82 THR HA 82 THR HB 1.800 3.980
&rst iat=1260, 1262, r1=1.300, r2=1.800, r3=3.980, r4= 4.480,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 81 ILE HA 82 THR HB 1.800 5.470
&rst iat=1241, 1262, r1=1.300, r2=1.800, r3=5.470, r4= 5.970,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 82 THR HN 82 THR HB 1.800 4.100
&rst iat=1258, 1262, r1=1.300, r2=1.800, r3=4.100, r4= 4.600,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 83 ASP- HA 83 ASP- HB3 1.800 3.270
&rst iat=1274, 1277, r1=1.300, r2=1.800, r3=3.270, r4= 3.770,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 83 ASP- HA 83 ASP- HB2 1.800 3.360
&rst iat=1274, 1276, r1=1.300, r2=1.800, r3=3.360, r4= 3.860,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 84 CYSS HA 84 CYSS HB2 1.800 3.550
&rst iat=1286, 1288, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 84 CYSS HA 84 CYSS HB3 1.800 3.210
&rst iat=1286, 1289, r1=1.300, r2=1.800, r3=3.210, r4= 3.710,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 84 CYSS HA 99 THR HA 1.800 3.210
&rst iat=1286, 1516, r1=1.300, r2=1.800, r3=3.210, r4= 3.710,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 84 CYSS HN 84 CYSS HA 1.800 3.390
&rst iat=1284, 1286, r1=1.300, r2=1.800, r3=3.390, r4= 3.890,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 84 CYSS HN 84 CYSS HB2 1.800 3.700
&rst iat=1284, 1288, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 84 CYSS HN 84 CYSS HB3 1.800 4.200
&rst iat=1284, 1289, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 85 ARG+ HA 85 ARG+ HB2 1.800 2.770
&rst iat=1298, 1300, r1=1.300, r2=1.800, r3=2.770, r4= 3.270,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 42 PRO HA 85 ARG+ HA 1.800 4.600
&rst iat= 643, 1298, r1=1.300, r2=1.800, r3=4.600, r4= 5.100,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 85 ARG+ HA 85 ARG+ HB3 1.800 3.170
&rst iat=1298, 1301, r1=1.300, r2=1.800, r3=3.170, r4= 3.670,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 86 GLU- HA 86 GLU- HB2 1.800 4.100
&rst iat=1322, 1324, r1=1.300, r2=1.800, r3=4.100, r4= 4.600,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 120 PHE HA 120 PHE HB3 1.800 4.010
&rst iat=1833, 1836, r1=1.300, r2=1.800, r3=4.010, r4= 4.510,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 86 GLU- HA 86 GLU- HB3 1.800 3.360
&rst iat=1322, 1325, r1=1.300, r2=1.800, r3=3.360, r4= 3.860,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 87 THR HB 88 GLY HA2 1.800 4.450
&rst iat=1339, 1352, r1=1.300, r2=1.800, r3=4.450, r4= 4.950,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 88 GLY HA1 88 GLY HA2 1.800 2.430
&rst iat=1351, 1352, r1=1.300, r2=1.800, r3=2.430, r4= 2.930,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 91 LYS+ HA 91 LYS+ HB3 1.800 2.710
&rst iat=1380, 1383, r1=1.300, r2=1.800, r3=2.710, r4= 3.210,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 92 TYR HA 93 PRO HB2 1.800 4.350
&rst iat=1402, 1428, r1=1.300, r2=1.800, r3=4.350, r4= 4.850,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 92 TYR HA 93 PRO HB3 1.800 4.540
&rst iat=1402, 1429, r1=1.300, r2=1.800, r3=4.540, r4= 5.040,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 92 TYR HA 92 TYR HB3 1.800 3.270
&rst iat=1402, 1405, r1=1.300, r2=1.800, r3=3.270, r4= 3.770,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 92 TYR HA 93 PRO HA 1.800 2.900
&rst iat=1402, 1431, r1=1.300, r2=1.800, r3=2.900, r4= 3.400,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 92 TYR HA 92 TYR HB2 1.800 3.390
&rst iat=1402, 1404, r1=1.300, r2=1.800, r3=3.390, r4= 3.890,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 92 TYR HB3 93 PRO HA 1.800 4.350
&rst iat=1405, 1431, r1=1.300, r2=1.800, r3=4.350, r4= 4.850,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 93 PRO HA 93 PRO HB2 1.800 3.270
&rst iat=1431, 1428, r1=1.300, r2=1.800, r3=3.270, r4= 3.770,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 93 PRO HA 93 PRO HB3 1.800 3.420
&rst iat=1431, 1429, r1=1.300, r2=1.800, r3=3.420, r4= 3.920,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 94 ASN HA 94 ASN HB3 1.800 2.860
&rst iat=1437, 1440, r1=1.300, r2=1.800, r3=2.860, r4= 3.360,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 95 CYSS HA 95 CYSS HB3 1.800 2.830
&rst iat=1451, 1454, r1=1.300, r2=1.800, r3=2.830, r4= 3.330,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 95 CYSS HA 95 CYSS HB2 1.800 3.170
&rst iat=1451, 1453, r1=1.300, r2=1.800, r3=3.170, r4= 3.670,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 97 TYR HA 97 TYR HB2 1.800 4.940
&rst iat=1473, 1475, r1=1.300, r2=1.800, r3=4.940, r4= 5.440,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 97 TYR HA 97 TYR HB3 1.800 3.950
&rst iat=1473, 1476, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 98 LYS+ HA 98 LYS+ HB2 1.800 3.020
&rst iat=1494, 1496, r1=1.300, r2=1.800, r3=3.020, r4= 3.520,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 98 LYS+ HA 98 LYS+ HB3 1.800 3.300
&rst iat=1494, 1497, r1=1.300, r2=1.800, r3=3.300, r4= 3.800,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 98 LYS+ HA 99 THR HA 1.800 4.380
&rst iat=1494, 1516, r1=1.300, r2=1.800, r3=4.380, r4= 4.880,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 99 THR HA 99 THR HB 1.800 3.170
&rst iat=1516, 1518, r1=1.300, r2=1.800, r3=3.170, r4= 3.670,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 100 THR HA 100 THR HB 1.800 3.240
&rst iat=1530, 1532, r1=1.300, r2=1.800, r3=3.240, r4= 3.740,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 82 THR HA 101 GLN HA 1.800 3.270
&rst iat=1260, 1544, r1=1.300, r2=1.800, r3=3.270, r4= 3.770,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 101 GLN HA 101 GLN HB3 1.800 3.050
&rst iat=1544, 1547, r1=1.300, r2=1.800, r3=3.050, r4= 3.550,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 101 GLN HA 101 GLN HB2 1.800 3.300
&rst iat=1544, 1546, r1=1.300, r2=1.800, r3=3.300, r4= 3.800,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 101 GLN HA 102 VAL HN 1.800 3.360
&rst iat=1544, 1559, r1=1.300, r2=1.800, r3=3.360, r4= 3.860,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 102 VAL HA 102 VAL HB 1.800 2.590
&rst iat=1561, 1563, r1=1.300, r2=1.800, r3=2.590, r4= 3.090,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 102 VAL HN 102 VAL HA 1.800 3.950
&rst iat=1559, 1561, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 80 ARG+ HA 103 GLU- HA 1.800 3.480
&rst iat=1217, 1577, r1=1.300, r2=1.800, r3=3.480, r4= 3.980,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 103 GLU- HA 103 GLU- HB3 1.800 3.170
&rst iat=1577, 1580, r1=1.300, r2=1.800, r3=3.170, r4= 3.670,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 103 GLU- HA 103 GLU- HB2 1.800 3.140
&rst iat=1577, 1579, r1=1.300, r2=1.800, r3=3.140, r4= 3.640,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 103 GLU- HA 104 LYS+ HB2 1.800 5.000
&rst iat=1577, 1594, r1=1.300, r2=1.800, r3=5.000, r4= 5.500,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 103 GLU- HA 104 LYS+ HN 1.800 2.860
&rst iat=1577, 1590, r1=1.300, r2=1.800, r3=2.860, r4= 3.360,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 79 MET HN 103 GLU- HA 1.800 4.170
&rst iat=1196, 1577, r1=1.300, r2=1.800, r3=4.170, r4= 4.670,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 81 ILE HN 103 GLU- HA 1.800 4.820
&rst iat=1239, 1577, r1=1.300, r2=1.800, r3=4.820, r4= 5.320,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 105 HIS+ HA 105 HIS+ HB3 1.800 2.520
&rst iat=1614, 1617, r1=1.300, r2=1.800, r3=2.520, r4= 3.020,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 105 HIS+ HA 106 ILE HN 1.800 3.050
&rst iat=1614, 1630, r1=1.300, r2=1.800, r3=3.050, r4= 3.550,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 105 HIS+ HA 105 HIS+ HB2 1.800 3.170
&rst iat=1614, 1616, r1=1.300, r2=1.800, r3=3.170, r4= 3.670,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 106 ILE HA 106 ILE HB 1.800 3.110
&rst iat=1632, 1634, r1=1.300, r2=1.800, r3=3.110, r4= 3.610,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 106 ILE HA 107 ILE HN 1.800 3.520
&rst iat=1632, 1649, r1=1.300, r2=1.800, r3=3.520, r4= 4.020,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 106 ILE HN 106 ILE HA 1.800 4.040
&rst iat=1630, 1632, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 107 ILE HA 121 ASP- HN 1.800 5.100
&rst iat=1651, 1851, r1=1.300, r2=1.800, r3=5.100, r4= 5.600,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 75 SER HN 107 ILE HA 1.800 3.240
&rst iat=1138, 1651, r1=1.300, r2=1.800, r3=3.240, r4= 3.740,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 107 ILE HA 107 ILE HB 1.800 3.480
&rst iat=1651, 1653, r1=1.300, r2=1.800, r3=3.480, r4= 3.980,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 108 VAL HA 108 VAL HB 1.800 2.990
&rst iat=1670, 1672, r1=1.300, r2=1.800, r3=2.990, r4= 3.490,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 86 GLU- HA 97 TYR HA 1.800 2.800
&rst iat=1322, 1473, r1=1.300, r2=1.800, r3=2.800, r4= 3.300,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 107 ILE HA 108 VAL HA 1.800 4.420
&rst iat=1651, 1670, r1=1.300, r2=1.800, r3=4.420, r4= 4.920,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 108 VAL HA 109 ALA HN 1.800 2.960
&rst iat=1670, 1684, r1=1.300, r2=1.800, r3=2.960, r4= 3.460,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 108 VAL HN 108 VAL HA 1.800 3.950
&rst iat=1668, 1670, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 108 VAL HB 109 ALA HN 1.800 3.270
&rst iat=1672, 1684, r1=1.300, r2=1.800, r3=3.270, r4= 3.770,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 109 ALA HN 109 ALA HA 1.800 3.550
&rst iat=1684, 1686, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 73 TYR HN 109 ALA HA 1.800 3.760
&rst iat=1100, 1686, r1=1.300, r2=1.800, r3=3.760, r4= 4.260,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 110 CYSS HA 110 CYSS HB2 1.800 3.080
&rst iat=1696, 1698, r1=1.300, r2=1.800, r3=3.080, r4= 3.580,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 110 CYSS HA 118 VAL HN 1.800 3.020
&rst iat=1696, 1797, r1=1.300, r2=1.800, r3=3.020, r4= 3.520,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 110 CYSS HA 110 CYSS HB3 1.800 3.330
&rst iat=1696, 1699, r1=1.300, r2=1.800, r3=3.330, r4= 3.830,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 111 GLY HA1 111 GLY HA2 1.800 2.400
&rst iat=1708, 1709, r1=1.300, r2=1.800, r3=2.400, r4= 2.900,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 111 GLY HA2 112 GLY HA2 1.800 4.480
&rst iat=1709, 1716, r1=1.300, r2=1.800, r3=4.480, r4= 4.980,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 111 GLY HA2 112 GLY HA1 1.800 4.660
&rst iat=1709, 1715, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 112 GLY HA1 112 GLY HA2 1.800 2.490
&rst iat=1715, 1716, r1=1.300, r2=1.800, r3=2.490, r4= 2.990,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 113 LYS+ HA 113 LYS+ HB3 1.800 2.460
&rst iat=1722, 1725, r1=1.300, r2=1.800, r3=2.460, r4= 2.960,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 113 LYS+ HA 115 SER HA 1.800 4.170
&rst iat=1722, 1758, r1=1.300, r2=1.800, r3=4.170, r4= 4.670,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 113 LYS+ HA 113 LYS+ HB2 1.800 3.240
&rst iat=1722, 1724, r1=1.300, r2=1.800, r3=3.240, r4= 3.740,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 113 LYS+ HB3 114 PRO HA 1.800 3.950
&rst iat=1725, 1752, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 115 SER HA 115 SER HB2 1.800 2.620
&rst iat=1758, 1760, r1=1.300, r2=1.800, r3=2.620, r4= 3.120,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 116 VAL HA 116 VAL HB 1.800 2.770
&rst iat=1769, 1771, r1=1.300, r2=1.800, r3=2.770, r4= 3.270,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 110 CYSS HA 117 PRO HA 1.800 2.770
&rst iat=1696, 1793, r1=1.300, r2=1.800, r3=2.770, r4= 3.270,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 117 PRO HB3 117 PRO HA 1.800 3.300
&rst iat=1791, 1793, r1=1.300, r2=1.800, r3=3.300, r4= 3.800,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 117 PRO HB2 117 PRO HA 1.800 3.210
&rst iat=1790, 1793, r1=1.300, r2=1.800, r3=3.210, r4= 3.710,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 117 PRO HA 119 HIS+ HN 1.800 3.980
&rst iat=1793, 1813, r1=1.300, r2=1.800, r3=3.980, r4= 4.480,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 117 PRO HA 118 VAL HN 1.800 2.710
&rst iat=1793, 1797, r1=1.300, r2=1.800, r3=2.710, r4= 3.210,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 118 VAL HA 118 VAL HB 1.800 2.990
&rst iat=1799, 1801, r1=1.300, r2=1.800, r3=2.990, r4= 3.490,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 119 HIS+ HA 119 HIS+ HB3 1.800 2.740
&rst iat=1815, 1818, r1=1.300, r2=1.800, r3=2.740, r4= 3.240,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 119 HIS+ HA 119 HIS+ HB2 1.800 2.900
&rst iat=1815, 1817, r1=1.300, r2=1.800, r3=2.900, r4= 3.400,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 120 PHE HA 120 PHE HB2 1.800 3.730
&rst iat=1833, 1835, r1=1.300, r2=1.800, r3=3.730, r4= 4.230,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 121 ASP- HA 121 ASP- HB2 1.800 3.110
&rst iat=1853, 1855, r1=1.300, r2=1.800, r3=3.110, r4= 3.610,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 121 ASP- HA 121 ASP- HB3 1.800 3.020
&rst iat=1853, 1856, r1=1.300, r2=1.800, r3=3.020, r4= 3.520,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 123 SER HA 123 SER HB2 1.800 3.050
&rst iat=1875, 1877, r1=1.300, r2=1.800, r3=3.050, r4= 3.550,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 124 VAL HA 124 VAL HB 1.800 2.860
&rst iat=1886, 1888, r1=1.300, r2=1.800, r3=2.860, r4= 3.360,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 36 THR HA 40 CYSS HA 1.800 3.480
&rst iat= 541, 601, r1=1.300, r2=1.800, r3=3.480, r4= 3.980,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 123 SER HA 123 SER HB3 1.800 2.520
&rst iat=1875, 1878, r1=1.300, r2=1.800, r3=2.520, r4= 3.020,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 106 ILE HA 123 SER HA 1.800 2.830
&rst iat=1632, 1875, r1=1.300, r2=1.800, r3=2.830, r4= 3.330,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 107 ILE HN 123 SER HA 1.800 3.980
&rst iat=1649, 1875, r1=1.300, r2=1.800, r3=3.980, r4= 4.480,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 74 GLN HN 74 GLN HA 1.800 3.700
&rst iat=1121, 1123, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 74 GLN HA 108 VAL HN 1.800 3.920
&rst iat=1123, 1668, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 74 GLN HA 75 SER HN 1.800 3.300
&rst iat=1123, 1138, r1=1.300, r2=1.800, r3=3.300, r4= 3.800,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 79 MET HN 79 MET HA 1.800 3.480
&rst iat=1196, 1198, r1=1.300, r2=1.800, r3=3.480, r4= 3.980,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 78 THR HA 79 MET HA 1.800 5.160
&rst iat=1184, 1198, r1=1.300, r2=1.800, r3=5.160, r4= 5.660,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 79 MET HA 79 MET HB3 1.800 2.930
&rst iat=1198, 1201, r1=1.300, r2=1.800, r3=2.930, r4= 3.430,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 8 PHE HA 8 PHE HB2 1.800 3.240
&rst iat= 106, 108, r1=1.300, r2=1.800, r3=3.240, r4= 3.740,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 8 PHE HA 8 PHE HB3 1.800 3.330
&rst iat= 106, 109, r1=1.300, r2=1.800, r3=3.330, r4= 3.830,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 30 MET HA 32 CYS HN 1.800 5.220
&rst iat= 431, 461, r1=1.300, r2=1.800, r3=5.220, r4= 5.720,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 55 LYS+ HA 55 LYS+ HB2 1.800 2.770
&rst iat= 830, 832, r1=1.300, r2=1.800, r3=2.770, r4= 3.270,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 55 LYS+ HA 116 VAL HA 1.800 3.730
&rst iat= 830, 1769, r1=1.300, r2=1.800, r3=3.730, r4= 4.230,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 55 LYS+ HN 55 LYS+ HA 1.800 3.520
&rst iat= 828, 830, r1=1.300, r2=1.800, r3=3.520, r4= 4.020,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 64 THR HA 64 THR HB 1.800 3.210
&rst iat= 978, 980, r1=1.300, r2=1.800, r3=3.210, r4= 3.710,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 63 VAL HA 64 THR HB 1.800 4.720
&rst iat= 962, 980, r1=1.300, r2=1.800, r3=4.720, r4= 5.220,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 65 CYSS HA 65 CYSS HB2 1.800 5.310
&rst iat= 992, 994, r1=1.300, r2=1.800, r3=5.310, r4= 5.810,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 65 CYSS HA 65 CYSS HB3 1.800 3.790
&rst iat= 992, 995, r1=1.300, r2=1.800, r3=3.790, r4= 4.290,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 79 MET HN 79 MET HB3 1.800 3.640
&rst iat=1196, 1201, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 75 SER HN 75 SER HB2 1.800 3.890
&rst iat=1138, 1142, r1=1.300, r2=1.800, r3=3.890, r4= 4.390,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 75 SER HN 75 SER HB3 1.800 3.950
&rst iat=1138, 1143, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 86 GLU- HB3 90 SER HA 1.800 5.070
&rst iat=1325, 1369, r1=1.300, r2=1.800, r3=5.070, r4= 5.570,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 2 GLU- HB2 2 GLU- HB3 1.800 2.860
&rst iat= 30, 31, r1=1.300, r2=1.800, r3=2.860, r4= 3.360,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 66 LYS+ HB2 66 LYS+ HG2 1.800 3.580
&rst iat=1006, 1009, r1=1.300, r2=1.800, r3=3.580, r4= 4.080,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 2 GLU- HB3 2 GLU- HG2 1.800 4.040
&rst iat= 31, 33, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 2 GLU- HB2 2 GLU- HG2 1.800 3.670
&rst iat= 30, 33, r1=1.300, r2=1.800, r3=3.670, r4= 4.170,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 2 GLU- HG2 2 GLU- HG3 1.800 3.140
&rst iat= 33, 34, r1=1.300, r2=1.800, r3=3.140, r4= 3.640,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 2 GLU- HB3 2 GLU- HG3 1.800 4.010
&rst iat= 31, 34, r1=1.300, r2=1.800, r3=4.010, r4= 4.510,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 2 GLU- HA 2 GLU- HG2 1.800 4.760
&rst iat= 28, 33, r1=1.300, r2=1.800, r3=4.760, r4= 5.260,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 2 GLU- HA 2 GLU- HG3 1.800 4.540
&rst iat= 28, 34, r1=1.300, r2=1.800, r3=4.540, r4= 5.040,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 3 SER HB2 3 SER HB3 1.800 2.550
&rst iat= 45, 46, r1=1.300, r2=1.800, r3=2.550, r4= 3.050,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 4 ALA HA 7 LYS+ HD2 1.800 3.390
&rst iat= 54, 92, r1=1.300, r2=1.800, r3=3.390, r4= 3.890,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 4 ALA HA 118 VAL HB 1.800 5.500
&rst iat= 54, 1801, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 7 LYS+ HA 11 GLN HG2 1.800 5.500
&rst iat= 84, 170, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 7 LYS+ HA 10 ARG+ HG3 1.800 4.070
&rst iat= 84, 147, r1=1.300, r2=1.800, r3=4.070, r4= 4.570,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 7 LYS+ HA 7 LYS+ HG3 1.800 3.890
&rst iat= 84, 90, r1=1.300, r2=1.800, r3=3.890, r4= 4.390,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 7 LYS+ HA 7 LYS+ HG2 1.800 4.260
&rst iat= 84, 89, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 8 PHE HB2 8 PHE HB3 1.800 3.760
&rst iat= 108, 109, r1=1.300, r2=1.800, r3=3.760, r4= 4.260,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 8 PHE HB2 8 PHE HD1 1.800 5.500
&rst iat= 108, 112, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 8 PHE HB3 8 PHE HD1 1.800 5.500
&rst iat= 109, 112, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 8 PHE HZ 9 GLU- HA 1.800 4.690
&rst iat= 116, 126, r1=1.300, r2=1.800, r3=4.690, r4= 5.190,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 9 GLU- HG3 9 GLU- HG2 1.800 2.490
&rst iat= 132, 131, r1=1.300, r2=1.800, r3=2.490, r4= 2.990,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 9 GLU- HA 9 GLU- HG3 1.800 4.040
&rst iat= 126, 132, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 9 GLU- HG2 10 ARG+ HA 1.800 5.500
&rst iat= 131, 141, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 9 GLU- HA 9 GLU- HG2 1.800 4.720
&rst iat= 126, 131, r1=1.300, r2=1.800, r3=4.720, r4= 5.220,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 8 PHE HZ 9 GLU- HG3 1.800 5.500
&rst iat= 116, 132, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 9 GLU- HB2 9 GLU- HB3 1.800 2.960
&rst iat= 128, 129, r1=1.300, r2=1.800, r3=2.960, r4= 3.460,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 8 PHE HB3 9 GLU- HB2 1.800 5.280
&rst iat= 109, 128, r1=1.300, r2=1.800, r3=5.280, r4= 5.780,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 76 LYS+ HA 76 LYS+ HG3 1.800 3.610
&rst iat=1151, 1157, r1=1.300, r2=1.800, r3=3.610, r4= 4.110,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 10 ARG+ HA 10 ARG+ HD2 1.800 3.730
&rst iat= 141, 149, r1=1.300, r2=1.800, r3=3.730, r4= 4.230,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 76 LYS+ HA 105 HIS+ HD2 1.800 5.500
&rst iat=1151, 1626, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 11 GLN HA 11 GLN HG2 1.800 4.040
&rst iat= 165, 170, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 11 GLN HA 11 GLN HG3 1.800 3.730
&rst iat= 165, 171, r1=1.300, r2=1.800, r3=3.730, r4= 4.230,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 11 GLN HB3 11 GLN HB2 1.800 3.920
&rst iat= 168, 167, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 11 GLN HB2 11 GLN HG3 1.800 4.940
&rst iat= 167, 171, r1=1.300, r2=1.800, r3=4.940, r4= 5.440,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 11 GLN HB3 11 GLN HG3 1.800 4.320
&rst iat= 168, 171, r1=1.300, r2=1.800, r3=4.320, r4= 4.820,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 11 GLN HG2 11 GLN HG3 1.800 3.520
&rst iat= 170, 171, r1=1.300, r2=1.800, r3=3.520, r4= 4.020,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 11 GLN HB3 11 GLN HG2 1.800 5.100
&rst iat= 168, 170, r1=1.300, r2=1.800, r3=5.100, r4= 5.600,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 11 GLN HB2 11 GLN HG2 1.800 5.440
&rst iat= 167, 170, r1=1.300, r2=1.800, r3=5.440, r4= 5.940,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 12 HIS+ HA 46 PHE HD1 1.800 4.570
&rst iat= 182, 699, r1=1.300, r2=1.800, r3=4.570, r4= 5.070,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 8 PHE HZ 12 HIS+ HB3 1.800 5.500
&rst iat= 116, 185, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 12 HIS+ HB3 12 HIS+ HB2 1.800 3.920
&rst iat= 185, 184, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 13 MET HA 47 VAL HB 1.800 3.950
&rst iat= 200, 715, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 14 ASP- HB2 46 PHE HB3 1.800 5.500
&rst iat= 221, 696, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 15 SER HA 48 HIS+ HB2 1.800 5.250
&rst iat= 231, 731, r1=1.300, r2=1.800, r3=5.250, r4= 5.750,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 15 SER HB3 48 HIS+ HA 1.800 5.500
&rst iat= 234, 729, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 20 SER HA 101 GLN HG3 1.800 5.500
&rst iat= 288, 1550, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 20 SER HB2 20 SER HB3 1.800 2.650
&rst iat= 290, 291, r1=1.300, r2=1.800, r3=2.650, r4= 3.150,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 23 SER HB3 23 SER HB2 1.800 2.400
&rst iat= 324, 323, r1=1.300, r2=1.800, r3=2.400, r4= 2.900,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 25 TYR HB3 25 TYR HD1 1.800 3.390
&rst iat= 349, 352, r1=1.300, r2=1.800, r3=3.390, r4= 3.890,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 24 ASN HB3 24 ASN HB2 1.800 2.550
&rst iat= 335, 334, r1=1.300, r2=1.800, r3=2.550, r4= 3.050,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 25 TYR HA 28 LEU HG 1.800 5.070
&rst iat= 346, 398, r1=1.300, r2=1.800, r3=5.070, r4= 5.570,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 25 TYR HB3 25 TYR HB2 1.800 3.550
&rst iat= 349, 348, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 25 TYR HB2 25 TYR HD1 1.800 3.860
&rst iat= 348, 352, r1=1.300, r2=1.800, r3=3.860, r4= 4.360,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 25 TYR HA 25 TYR HD1 1.800 5.500
&rst iat= 346, 352, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 25 TYR HE1 25 TYR HD1 1.800 4.040
&rst iat= 354, 352, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 26 CYSS HB2 26 CYSS HB3 1.800 3.480
&rst iat= 369, 370, r1=1.300, r2=1.800, r3=3.480, r4= 3.980,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 26 CYSS HB2 97 TYR HB2 1.800 4.100
&rst iat= 369, 1475, r1=1.300, r2=1.800, r3=4.100, r4= 4.600,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 26 CYSS HB2 97 TYR HB3 1.800 4.140
&rst iat= 369, 1476, r1=1.300, r2=1.800, r3=4.140, r4= 4.640,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 26 CYSS HB2 84 CYSS HB2 1.800 5.500
&rst iat= 369, 1288, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 27 ASN HA 46 PHE HZ 1.800 5.500
&rst iat= 379, 703, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 28 LEU HA 28 LEU HG 1.800 4.380
&rst iat= 393, 398, r1=1.300, r2=1.800, r3=4.380, r4= 4.880,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 28 LEU HB3 28 LEU HG 1.800 4.100
&rst iat= 396, 398, r1=1.300, r2=1.800, r3=4.100, r4= 4.600,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 28 LEU HB2 28 LEU HG 1.800 3.980
&rst iat= 395, 398, r1=1.300, r2=1.800, r3=3.980, r4= 4.480,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 28 LEU HB2 28 LEU HB3 1.800 3.050
&rst iat= 395, 396, r1=1.300, r2=1.800, r3=3.050, r4= 3.550,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 29 MET HB3 29 MET HB2 1.800 4.510
&rst iat= 415, 414, r1=1.300, r2=1.800, r3=4.510, r4= 5.010,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 29 MET HG2 29 MET HG3 1.800 3.830
&rst iat= 417, 418, r1=1.300, r2=1.800, r3=3.830, r4= 4.330,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 31 CYS HB3 31 CYS HB2 1.800 3.550
&rst iat= 453, 452, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 32 CYS HB2 32 CYS HB3 1.800 3.170
&rst iat= 465, 466, r1=1.300, r2=1.800, r3=3.170, r4= 3.670,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 33 ARG+ HD2 33 ARG+ HD3 1.800 4.100
&rst iat= 484, 485, r1=1.300, r2=1.800, r3=4.100, r4= 4.600,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 33 ARG+ HA 33 ARG+ HD3 1.800 3.980
&rst iat= 476, 485, r1=1.300, r2=1.800, r3=3.980, r4= 4.480,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 33 ARG+ HB3 33 ARG+ HD3 1.800 5.440
&rst iat= 479, 485, r1=1.300, r2=1.800, r3=5.440, r4= 5.940,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 10 ARG+ HB2 33 ARG+ HD3 1.800 3.860
&rst iat= 143, 485, r1=1.300, r2=1.800, r3=3.860, r4= 4.360,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 34 LYS+ HA 34 LYS+ HG2 1.800 3.080
&rst iat= 500, 505, r1=1.300, r2=1.800, r3=3.080, r4= 3.580,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 34 LYS+ HA 34 LYS+ HD3 1.800 3.480
&rst iat= 500, 509, r1=1.300, r2=1.800, r3=3.480, r4= 3.980,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 34 LYS+ HB3 34 LYS+ HE3 1.800 5.500
&rst iat= 503, 512, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 34 LYS+ HB2 34 LYS+ HB3 1.800 2.650
&rst iat= 502, 503, r1=1.300, r2=1.800, r3=2.650, r4= 3.150,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 34 LYS+ HB3 34 LYS+ HD3 1.800 4.290
&rst iat= 503, 509, r1=1.300, r2=1.800, r3=4.290, r4= 4.790,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 34 LYS+ HB3 34 LYS+ HG2 1.800 3.700
&rst iat= 503, 505, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 34 LYS+ HB3 34 LYS+ HG3 1.800 4.450
&rst iat= 503, 506, r1=1.300, r2=1.800, r3=4.450, r4= 4.950,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 34 LYS+ HB2 34 LYS+ HG3 1.800 5.500
&rst iat= 502, 506, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 34 LYS+ HB2 34 LYS+ HG2 1.800 3.240
&rst iat= 502, 505, r1=1.300, r2=1.800, r3=3.240, r4= 3.740,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 35 MET HA 35 MET HG3 1.800 3.950
&rst iat= 522, 528, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 34 LYS+ HD3 35 MET HA 1.800 4.690
&rst iat= 509, 522, r1=1.300, r2=1.800, r3=4.690, r4= 5.190,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 35 MET HG3 35 MET HG2 1.800 3.790
&rst iat= 528, 527, r1=1.300, r2=1.800, r3=3.790, r4= 4.290,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 35 MET HA 35 MET HG2 1.800 4.790
&rst iat= 522, 527, r1=1.300, r2=1.800, r3=4.790, r4= 5.290,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 37 GLN HB2 37 GLN HG3 1.800 2.710
&rst iat= 557, 561, r1=1.300, r2=1.800, r3=2.710, r4= 3.210,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 34 LYS+ HA 37 GLN HG2 1.800 5.190
&rst iat= 500, 560, r1=1.300, r2=1.800, r3=5.190, r4= 5.690,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 37 GLN HA 37 GLN HG2 1.800 4.290
&rst iat= 555, 560, r1=1.300, r2=1.800, r3=4.290, r4= 4.790,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 35 MET HB2 35 MET HB3 1.800 2.650
&rst iat= 524, 525, r1=1.300, r2=1.800, r3=2.650, r4= 3.150,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 38 GLY HA2 92 TYR HE1 1.800 5.500
&rst iat= 573, 1410, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 39 LYS+ HA 92 TYR HD1 1.800 4.230
&rst iat= 579, 1408, r1=1.300, r2=1.800, r3=4.230, r4= 4.730,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 39 LYS+ HA 39 LYS+ HG3 1.800 4.320
&rst iat= 579, 585, r1=1.300, r2=1.800, r3=4.320, r4= 4.820,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 39 LYS+ HB3 39 LYS+ HB2 1.800 2.900
&rst iat= 582, 581, r1=1.300, r2=1.800, r3=2.900, r4= 3.400,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 39 LYS+ HB3 39 LYS+ HG2 1.800 3.550
&rst iat= 582, 584, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 39 LYS+ HB3 39 LYS+ HG3 1.800 3.730
&rst iat= 582, 585, r1=1.300, r2=1.800, r3=3.730, r4= 4.230,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 39 LYS+ HB2 39 LYS+ HG2 1.800 4.510
&rst iat= 581, 584, r1=1.300, r2=1.800, r3=4.510, r4= 5.010,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 39 LYS+ HB2 39 LYS+ HE3 1.800 5.500
&rst iat= 581, 591, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 39 LYS+ HB3 39 LYS+ HE3 1.800 5.500
&rst iat= 582, 591, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 39 LYS+ HG3 39 LYS+ HG2 1.800 2.400
&rst iat= 585, 584, r1=1.300, r2=1.800, r3=2.400, r4= 2.900,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 39 LYS+ HG2 39 LYS+ HE3 1.800 5.500
&rst iat= 584, 591, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 39 LYS+ HA 39 LYS+ HG2 1.800 5.500
&rst iat= 579, 584, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 39 LYS+ HG3 39 LYS+ HE3 1.800 4.230
&rst iat= 585, 591, r1=1.300, r2=1.800, r3=4.230, r4= 4.730,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 39 LYS+ HB2 39 LYS+ HG3 1.800 2.990
&rst iat= 581, 585, r1=1.300, r2=1.800, r3=2.990, r4= 3.490,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 39 LYS+ HG3 39 LYS+ HD3 1.800 4.230
&rst iat= 585, 588, r1=1.300, r2=1.800, r3=4.230, r4= 4.730,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 39 LYS+ HD3 39 LYS+ HE3 1.800 4.070
&rst iat= 588, 591, r1=1.300, r2=1.800, r3=4.070, r4= 4.570,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 41 LYS+ HB3 41 LYS+ HB2 1.800 3.890
&rst iat= 616, 615, r1=1.300, r2=1.800, r3=3.890, r4= 4.390,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 42 PRO HD2 42 PRO HA 1.800 5.500
&rst iat= 634, 643, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 42 PRO HD3 42 PRO HA 1.800 5.310
&rst iat= 635, 643, r1=1.300, r2=1.800, r3=5.310, r4= 5.810,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 42 PRO HA 85 ARG+ HG3 1.800 5.500
&rst iat= 643, 1304, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 42 PRO HB3 42 PRO HB2 1.800 2.860
&rst iat= 641, 640, r1=1.300, r2=1.800, r3=2.860, r4= 3.360,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 42 PRO HD2 42 PRO HB3 1.800 5.500
&rst iat= 634, 641, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 42 PRO HD3 42 PRO HB3 1.800 4.850
&rst iat= 635, 641, r1=1.300, r2=1.800, r3=4.850, r4= 5.350,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 42 PRO HB2 42 PRO HG2 1.800 3.950
&rst iat= 640, 637, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 42 PRO HA 42 PRO HG2 1.800 4.040
&rst iat= 643, 637, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 42 PRO HD3 42 PRO HD2 1.800 2.960
&rst iat= 635, 634, r1=1.300, r2=1.800, r3=2.960, r4= 3.460,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 41 LYS+ HA 42 PRO HD2 1.800 2.860
&rst iat= 613, 634, r1=1.300, r2=1.800, r3=2.860, r4= 3.360,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 41 LYS+ HA 42 PRO HD3 1.800 3.110
&rst iat= 613, 635, r1=1.300, r2=1.800, r3=3.110, r4= 3.610,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 42 PRO HB2 42 PRO HD3 1.800 4.910
&rst iat= 640, 635, r1=1.300, r2=1.800, r3=4.910, r4= 5.410,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 42 PRO HG2 42 PRO HD3 1.800 3.020
&rst iat= 637, 635, r1=1.300, r2=1.800, r3=3.020, r4= 3.520,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 39 LYS+ HB2 42 PRO HD3 1.800 5.310
&rst iat= 581, 635, r1=1.300, r2=1.800, r3=5.310, r4= 5.810,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 41 LYS+ HB3 42 PRO HD2 1.800 3.860
&rst iat= 616, 634, r1=1.300, r2=1.800, r3=3.860, r4= 4.360,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 42 PRO HG2 42 PRO HD2 1.800 2.590
&rst iat= 637, 634, r1=1.300, r2=1.800, r3=2.590, r4= 3.090,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 42 PRO HB2 42 PRO HD2 1.800 4.660
&rst iat= 640, 634, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 43 VAL HA 84 CYSS HB3 1.800 5.470
&rst iat= 649, 1289, r1=1.300, r2=1.800, r3=5.470, r4= 5.970,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 81 ILE HA 81 ILE HG12 1.800 4.940
&rst iat=1241, 1249, r1=1.300, r2=1.800, r3=4.940, r4= 5.440,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 43 VAL HA 85 ARG+ HG3 1.800 5.500
&rst iat= 649, 1304, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 43 VAL HA 97 TYR HE1 1.800 4.790
&rst iat= 649, 1481, r1=1.300, r2=1.800, r3=4.790, r4= 5.290,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 104 LYS+ HA 104 LYS+ HG2 1.800 3.480
&rst iat=1592, 1597, r1=1.300, r2=1.800, r3=3.480, r4= 3.980,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 78 THR HB 104 LYS+ HA 1.800 4.290
&rst iat=1186, 1592, r1=1.300, r2=1.800, r3=4.290, r4= 4.790,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 90 SER HB2 95 CYSS HA 1.800 5.160
&rst iat=1371, 1451, r1=1.300, r2=1.800, r3=5.160, r4= 5.660,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 41 LYS+ HB3 44 ASN HB3 1.800 4.010
&rst iat= 616, 668, r1=1.300, r2=1.800, r3=4.010, r4= 4.510,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 44 ASN HB2 44 ASN HB3 1.800 3.140
&rst iat= 667, 668, r1=1.300, r2=1.800, r3=3.140, r4= 3.640,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 41 LYS+ HB3 44 ASN HB2 1.800 3.520
&rst iat= 616, 667, r1=1.300, r2=1.800, r3=3.520, r4= 4.020,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 45 THR HA 83 ASP- HB2 1.800 5.500
&rst iat= 679, 1276, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 45 THR HB 120 PHE HE1 1.800 4.690
&rst iat= 681, 1841, r1=1.300, r2=1.800, r3=4.690, r4= 5.190,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 46 PHE HA 46 PHE HD1 1.800 4.480
&rst iat= 693, 699, r1=1.300, r2=1.800, r3=4.480, r4= 4.980,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 46 PHE HB2 46 PHE HB3 1.800 4.320
&rst iat= 695, 696, r1=1.300, r2=1.800, r3=4.320, r4= 4.820,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 46 PHE HB2 46 PHE HD1 1.800 4.940
&rst iat= 695, 699, r1=1.300, r2=1.800, r3=4.940, r4= 5.440,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 46 PHE HB3 46 PHE HD1 1.800 4.660
&rst iat= 696, 699, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 47 VAL HA 81 ILE HB 1.800 4.910
&rst iat= 713, 1243, r1=1.300, r2=1.800, r3=4.910, r4= 5.410,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 47 VAL HA 81 ILE HG12 1.800 5.500
&rst iat= 713, 1249, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 48 HIS+ HB3 48 HIS+ HB2 1.800 3.980
&rst iat= 732, 731, r1=1.300, r2=1.800, r3=3.980, r4= 4.480,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 49 GLU- HB2 49 GLU- HB3 1.800 4.380
&rst iat= 749, 750, r1=1.300, r2=1.800, r3=4.380, r4= 4.880,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 49 GLU- HB3 49 GLU- HG3 1.800 3.920
&rst iat= 750, 753, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 49 GLU- HB2 49 GLU- HG3 1.800 5.500
&rst iat= 749, 753, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 49 GLU- HG3 49 GLU- HG2 1.800 3.450
&rst iat= 753, 752, r1=1.300, r2=1.800, r3=3.450, r4= 3.950,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 49 GLU- HB3 49 GLU- HG2 1.800 5.500
&rst iat= 750, 752, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 50 SER HB3 50 SER HB2 1.800 2.490
&rst iat= 765, 764, r1=1.300, r2=1.800, r3=2.490, r4= 2.990,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 51 LEU HB3 51 LEU HB2 1.800 2.490
&rst iat= 776, 775, r1=1.300, r2=1.800, r3=2.490, r4= 2.990,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 51 LEU HB3 51 LEU HG 1.800 3.550
&rst iat= 776, 778, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 51 LEU HA 51 LEU HG 1.800 4.600
&rst iat= 773, 778, r1=1.300, r2=1.800, r3=4.600, r4= 5.100,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 51 LEU HB2 51 LEU HG 1.800 3.080
&rst iat= 775, 778, r1=1.300, r2=1.800, r3=3.080, r4= 3.580,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 52 ALA HA 55 LYS+ HG3 1.800 5.500
&rst iat= 792, 836, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 49 GLU- HB3 53 ASP- HB2 1.800 5.500
&rst iat= 750, 804, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 53 ASP- HB3 53 ASP- HB2 1.800 3.140
&rst iat= 805, 804, r1=1.300, r2=1.800, r3=3.140, r4= 3.640,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 54 VAL HA 117 PRO HG2 1.800 5.500
&rst iat= 814, 1787, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 51 LEU HG 54 VAL HB 1.800 5.500
&rst iat= 778, 816, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 55 LYS+ HB3 55 LYS+ HG3 1.800 3.610
&rst iat= 833, 836, r1=1.300, r2=1.800, r3=3.610, r4= 4.110,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 76 LYS+ HB3 76 LYS+ HE3 1.800 5.500
&rst iat=1154, 1163, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 76 LYS+ HB2 76 LYS+ HE3 1.800 5.220
&rst iat=1153, 1163, r1=1.300, r2=1.800, r3=5.220, r4= 5.720,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 55 LYS+ HB3 55 LYS+ HB2 1.800 2.400
&rst iat= 833, 832, r1=1.300, r2=1.800, r3=2.400, r4= 2.900,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 55 LYS+ HB2 55 LYS+ HG3 1.800 3.700
&rst iat= 832, 836, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 55 LYS+ HG2 55 LYS+ HG3 1.800 3.140
&rst iat= 835, 836, r1=1.300, r2=1.800, r3=3.140, r4= 3.640,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 55 LYS+ HB2 55 LYS+ HG2 1.800 2.800
&rst iat= 832, 835, r1=1.300, r2=1.800, r3=2.800, r4= 3.300,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 55 LYS+ HN 55 LYS+ HG3 1.800 4.570
&rst iat= 828, 836, r1=1.300, r2=1.800, r3=4.570, r4= 5.070,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 55 LYS+ HA 55 LYS+ HD2 1.800 4.510
&rst iat= 830, 838, r1=1.300, r2=1.800, r3=4.510, r4= 5.010,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 55 LYS+ HN 55 LYS+ HD2 1.800 5.280
&rst iat= 828, 838, r1=1.300, r2=1.800, r3=5.280, r4= 5.780,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 55 LYS+ HG3 55 LYS+ HD2 1.800 3.020
&rst iat= 836, 838, r1=1.300, r2=1.800, r3=3.020, r4= 3.520,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 57 VAL HA 60 GLN HG2 1.800 3.980
&rst iat= 862, 906, r1=1.300, r2=1.800, r3=3.980, r4= 4.480,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 58 CYSS HA 73 TYR HB2 1.800 4.260
&rst iat= 878, 1104, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 58 CYSS HA 73 TYR HB3 1.800 4.630
&rst iat= 878, 1105, r1=1.300, r2=1.800, r3=4.630, r4= 5.130,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 58 CYSS HB3 58 CYSS HB2 1.800 3.300
&rst iat= 881, 880, r1=1.300, r2=1.800, r3=3.300, r4= 3.800,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 59 SER HA 73 TYR HE1 1.800 5.500
&rst iat= 890, 1110, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 59 SER HB3 59 SER HB2 1.800 2.400
&rst iat= 893, 892, r1=1.300, r2=1.800, r3=2.400, r4= 2.900,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 60 GLN HA 60 GLN HG3 1.800 2.620
&rst iat= 901, 907, r1=1.300, r2=1.800, r3=2.620, r4= 3.120,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 60 GLN HB3 60 GLN HB2 1.800 2.710
&rst iat= 904, 903, r1=1.300, r2=1.800, r3=2.710, r4= 3.210,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 60 GLN HB2 60 GLN HG2 1.800 3.950
&rst iat= 903, 906, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 60 GLN HG3 60 GLN HG2 1.800 2.520
&rst iat= 907, 906, r1=1.300, r2=1.800, r3=2.520, r4= 3.020,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 60 GLN HA 60 GLN HG2 1.800 3.610
&rst iat= 901, 906, r1=1.300, r2=1.800, r3=3.610, r4= 4.110,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 61 LYS+ HA 61 LYS+ HG3 1.800 3.550
&rst iat= 918, 924, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 61 LYS+ HB3 61 LYS+ HG2 1.800 3.700
&rst iat= 921, 923, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 61 LYS+ HB3 61 LYS+ HG3 1.800 4.320
&rst iat= 921, 924, r1=1.300, r2=1.800, r3=4.320, r4= 4.820,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 93 PRO HG3 93 PRO HB3 1.800 2.990
&rst iat=1426, 1429, r1=1.300, r2=1.800, r3=2.990, r4= 3.490,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 61 LYS+ HB3 61 LYS+ HB2 1.800 2.490
&rst iat= 921, 920, r1=1.300, r2=1.800, r3=2.490, r4= 2.990,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 61 LYS+ HA 61 LYS+ HG2 1.800 4.230
&rst iat= 918, 923, r1=1.300, r2=1.800, r3=4.230, r4= 4.730,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 61 LYS+ HB2 61 LYS+ HG3 1.800 3.700
&rst iat= 920, 924, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 61 LYS+ HB2 61 LYS+ HG2 1.800 3.420
&rst iat= 920, 923, r1=1.300, r2=1.800, r3=3.420, r4= 3.920,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 61 LYS+ HG2 61 LYS+ HG3 1.800 2.400
&rst iat= 923, 924, r1=1.300, r2=1.800, r3=2.400, r4= 2.900,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 61 LYS+ HG3 61 LYS+ HD2 1.800 2.400
&rst iat= 924, 926, r1=1.300, r2=1.800, r3=2.400, r4= 2.900,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 61 LYS+ HG2 61 LYS+ HD2 1.800 2.680
&rst iat= 923, 926, r1=1.300, r2=1.800, r3=2.680, r4= 3.180,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 62 LYS+ HA 62 LYS+ HG2 1.800 2.860
&rst iat= 940, 945, r1=1.300, r2=1.800, r3=2.860, r4= 3.360,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 62 LYS+ HA 73 TYR HB2 1.800 5.280
&rst iat= 940, 1104, r1=1.300, r2=1.800, r3=5.280, r4= 5.780,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 62 LYS+ HA 73 TYR HB3 1.800 5.160
&rst iat= 940, 1105, r1=1.300, r2=1.800, r3=5.160, r4= 5.660,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 62 LYS+ HA 73 TYR HE1 1.800 5.500
&rst iat= 940, 1110, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 62 LYS+ HA 73 TYR HD1 1.800 5.500
&rst iat= 940, 1108, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 62 LYS+ HB2 62 LYS+ HG2 1.800 3.920
&rst iat= 942, 945, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 62 LYS+ HB3 62 LYS+ HG2 1.800 3.550
&rst iat= 943, 945, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 62 LYS+ HB2 62 LYS+ HB3 1.800 2.590
&rst iat= 942, 943, r1=1.300, r2=1.800, r3=2.590, r4= 3.090,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 62 LYS+ HB2 62 LYS+ HE3 1.800 5.220
&rst iat= 942, 952, r1=1.300, r2=1.800, r3=5.220, r4= 5.720,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 62 LYS+ HB3 62 LYS+ HE3 1.800 5.500
&rst iat= 943, 952, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 62 LYS+ HB3 73 TYR HE1 1.800 5.500
&rst iat= 943, 1110, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 62 LYS+ HB2 73 TYR HE1 1.800 5.500
&rst iat= 942, 1110, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 66 LYS+ HA 66 LYS+ HE3 1.800 5.440
&rst iat=1004, 1016, r1=1.300, r2=1.800, r3=5.440, r4= 5.940,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 66 LYS+ HA 66 LYS+ HG2 1.800 4.630
&rst iat=1004, 1009, r1=1.300, r2=1.800, r3=4.630, r4= 5.130,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 66 LYS+ HB2 66 LYS+ HB3 1.800 2.460
&rst iat=1006, 1007, r1=1.300, r2=1.800, r3=2.460, r4= 2.960,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 66 LYS+ HA 66 LYS+ HG3 1.800 4.290
&rst iat=1004, 1010, r1=1.300, r2=1.800, r3=4.290, r4= 4.790,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 66 LYS+ HG2 66 LYS+ HE3 1.800 5.100
&rst iat=1009, 1016, r1=1.300, r2=1.800, r3=5.100, r4= 5.600,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 66 LYS+ HG3 66 LYS+ HE3 1.800 4.260
&rst iat=1010, 1016, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 66 LYS+ HB2 66 LYS+ HG3 1.800 3.920
&rst iat=1006, 1010, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 66 LYS+ HG2 66 LYS+ HG3 1.800 2.400
&rst iat=1009, 1010, r1=1.300, r2=1.800, r3=2.400, r4= 2.900,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 66 LYS+ HA 66 LYS+ HD3 1.800 4.760
&rst iat=1004, 1013, r1=1.300, r2=1.800, r3=4.760, r4= 5.260,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 67 ASP- HB2 67 ASP- HB3 1.800 2.550
&rst iat=1028, 1029, r1=1.300, r2=1.800, r3=2.550, r4= 3.050,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 69 GLN HA 69 GLN HG3 1.800 2.930
&rst iat=1045, 1051, r1=1.300, r2=1.800, r3=2.930, r4= 3.430,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 69 GLN HB3 69 GLN HG3 1.800 3.640
&rst iat=1048, 1051, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 69 GLN HB3 69 GLN HB2 1.800 2.740
&rst iat=1048, 1047, r1=1.300, r2=1.800, r3=2.740, r4= 3.240,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 69 GLN HG3 69 GLN HG2 1.800 2.650
&rst iat=1051, 1050, r1=1.300, r2=1.800, r3=2.650, r4= 3.150,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 69 GLN HB2 69 GLN HG3 1.800 3.240
&rst iat=1047, 1051, r1=1.300, r2=1.800, r3=3.240, r4= 3.740,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 69 GLN HB2 69 GLN HG2 1.800 3.390
&rst iat=1047, 1050, r1=1.300, r2=1.800, r3=3.390, r4= 3.890,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 69 GLN HA 69 GLN HG2 1.800 3.640
&rst iat=1045, 1050, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 70 THR HB 119 HIS+ HB3 1.800 5.500
&rst iat=1064, 1818, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 71 ASN HA 73 TYR HE1 1.800 5.500
&rst iat=1076, 1110, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 71 ASN HB3 71 ASN HB2 1.800 3.240
&rst iat=1079, 1078, r1=1.300, r2=1.800, r3=3.240, r4= 3.740,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 73 TYR HA 73 TYR HD1 1.800 4.420
&rst iat=1102, 1108, r1=1.300, r2=1.800, r3=4.420, r4= 4.920,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 73 TYR HB2 73 TYR HB3 1.800 2.740
&rst iat=1104, 1105, r1=1.300, r2=1.800, r3=2.740, r4= 3.240,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 73 TYR HB2 73 TYR HD1 1.800 3.950
&rst iat=1104, 1108, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 73 TYR HB3 73 TYR HD1 1.800 4.420
&rst iat=1105, 1108, r1=1.300, r2=1.800, r3=4.420, r4= 4.920,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 73 TYR HD1 73 TYR HE1 1.800 5.500
&rst iat=1108, 1110, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 73 TYR HB3 73 TYR HE1 1.800 5.500
&rst iat=1105, 1110, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 74 GLN HA 74 GLN HG3 1.800 4.970
&rst iat=1123, 1129, r1=1.300, r2=1.800, r3=4.970, r4= 5.470,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 74 GLN HB2 74 GLN HB3 1.800 2.550
&rst iat=1125, 1126, r1=1.300, r2=1.800, r3=2.550, r4= 3.050,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 60 GLN HB3 75 SER HA 1.800 5.410
&rst iat= 904, 1140, r1=1.300, r2=1.800, r3=5.410, r4= 5.910,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 76 LYS+ HG3 76 LYS+ HE3 1.800 3.450
&rst iat=1157, 1163, r1=1.300, r2=1.800, r3=3.450, r4= 3.950,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 76 LYS+ HD2 76 LYS+ HE3 1.800 3.360
&rst iat=1159, 1163, r1=1.300, r2=1.800, r3=3.360, r4= 3.860,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 76 LYS+ HA 76 LYS+ HD2 1.800 5.500
&rst iat=1151, 1159, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 76 LYS+ HG3 77 SER HA 1.800 5.500
&rst iat=1157, 1173, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 77 SER HA 105 HIS+ HD2 1.800 5.470
&rst iat=1173, 1626, r1=1.300, r2=1.800, r3=5.470, r4= 5.970,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 77 SER HB3 77 SER HB2 1.800 2.400
&rst iat=1176, 1175, r1=1.300, r2=1.800, r3=2.400, r4= 2.900,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 76 LYS+ HB2 77 SER HB3 1.800 5.500
&rst iat=1153, 1176, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 76 LYS+ HG3 77 SER HB3 1.800 5.500
&rst iat=1157, 1176, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 76 LYS+ HG3 77 SER HB2 1.800 5.500
&rst iat=1157, 1175, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 76 LYS+ HB2 77 SER HB2 1.800 5.500
&rst iat=1153, 1175, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 78 THR HB 103 GLU- HB2 1.800 3.640
&rst iat=1186, 1579, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 78 THR HB 103 GLU- HB3 1.800 4.450
&rst iat=1186, 1580, r1=1.300, r2=1.800, r3=4.450, r4= 4.950,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 78 THR HB 103 GLU- HG2 1.800 5.380
&rst iat=1186, 1582, r1=1.300, r2=1.800, r3=5.380, r4= 5.880,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 78 THR HB 105 HIS+ HA 1.800 4.660
&rst iat=1186, 1614, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 78 THR HB 103 GLU- HA 1.800 5.160
&rst iat=1186, 1577, r1=1.300, r2=1.800, r3=5.160, r4= 5.660,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 78 THR HB 104 LYS+ HN 1.800 4.040
&rst iat=1186, 1590, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 40 CYSS HB2 40 CYSS HB3 1.800 3.420
&rst iat= 603, 604, r1=1.300, r2=1.800, r3=3.420, r4= 3.920,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 79 MET HA 79 MET HG3 1.800 3.890
&rst iat=1198, 1204, r1=1.300, r2=1.800, r3=3.890, r4= 4.390,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 79 MET HG2 79 MET HG3 1.800 2.900
&rst iat=1203, 1204, r1=1.300, r2=1.800, r3=2.900, r4= 3.400,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 79 MET HB3 79 MET HG3 1.800 3.050
&rst iat=1201, 1204, r1=1.300, r2=1.800, r3=3.050, r4= 3.550,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 79 MET HB3 79 MET HG2 1.800 3.330
&rst iat=1201, 1203, r1=1.300, r2=1.800, r3=3.330, r4= 3.830,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 79 MET HN 79 MET HG3 1.800 5.500
&rst iat=1196, 1204, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 79 MET HN 79 MET HG2 1.800 5.500
&rst iat=1196, 1203, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 80 ARG+ HA 80 ARG+ HD2 1.800 3.520
&rst iat=1217, 1225, r1=1.300, r2=1.800, r3=3.520, r4= 4.020,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 80 ARG+ HA 80 ARG+ HG3 1.800 3.110
&rst iat=1217, 1223, r1=1.300, r2=1.800, r3=3.110, r4= 3.610,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 80 ARG+ HG3 80 ARG+ HD2 1.800 3.640
&rst iat=1223, 1225, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 80 ARG+ HG3 80 ARG+ HD3 1.800 2.990
&rst iat=1223, 1226, r1=1.300, r2=1.800, r3=2.990, r4= 3.490,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 80 ARG+ HD2 80 ARG+ HD3 1.800 2.550
&rst iat=1225, 1226, r1=1.300, r2=1.800, r3=2.550, r4= 3.050,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 81 ILE HB 81 ILE HG12 1.800 4.200
&rst iat=1243, 1249, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 81 ILE HB 81 ILE HG13 1.800 4.600
&rst iat=1243, 1250, r1=1.300, r2=1.800, r3=4.600, r4= 5.100,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 81 ILE HG13 81 ILE HG12 1.800 3.050
&rst iat=1250, 1249, r1=1.300, r2=1.800, r3=3.050, r4= 3.550,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 81 ILE HN 81 ILE HG13 1.800 4.970
&rst iat=1239, 1250, r1=1.300, r2=1.800, r3=4.970, r4= 5.470,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 81 ILE HN 81 ILE HG12 1.800 4.760
&rst iat=1239, 1249, r1=1.300, r2=1.800, r3=4.760, r4= 5.260,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 46 PHE HB3 82 THR HB 1.800 5.500
&rst iat= 696, 1262, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 46 PHE HB2 82 THR HB 1.800 5.500
&rst iat= 695, 1262, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 25 TYR HE1 82 THR HB 1.800 5.500
&rst iat= 354, 1262, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 46 PHE HD1 82 THR HB 1.800 5.500
&rst iat= 699, 1262, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 83 ASP- HB3 100 THR HB 1.800 3.670
&rst iat=1277, 1532, r1=1.300, r2=1.800, r3=3.670, r4= 4.170,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 83 ASP- HB2 100 THR HB 1.800 3.670
&rst iat=1276, 1532, r1=1.300, r2=1.800, r3=3.670, r4= 4.170,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 83 ASP- HB2 83 ASP- HB3 1.800 2.710
&rst iat=1276, 1277, r1=1.300, r2=1.800, r3=2.710, r4= 3.210,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 84 CYSS HB2 84 CYSS HB3 1.800 3.830
&rst iat=1288, 1289, r1=1.300, r2=1.800, r3=3.830, r4= 4.330,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 44 ASN HB2 84 CYSS HB3 1.800 5.070
&rst iat= 667, 1289, r1=1.300, r2=1.800, r3=5.070, r4= 5.570,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 44 ASN HB2 84 CYSS HB2 1.800 5.500
&rst iat= 667, 1288, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 85 ARG+ HA 85 ARG+ HG3 1.800 3.480
&rst iat=1298, 1304, r1=1.300, r2=1.800, r3=3.480, r4= 3.980,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 85 ARG+ HA 85 ARG+ HD2 1.800 5.470
&rst iat=1298, 1306, r1=1.300, r2=1.800, r3=5.470, r4= 5.970,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 85 ARG+ HA 97 TYR HE1 1.800 5.500
&rst iat=1298, 1481, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 85 ARG+ HB2 85 ARG+ HB3 1.800 2.400
&rst iat=1300, 1301, r1=1.300, r2=1.800, r3=2.400, r4= 2.900,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 85 ARG+ HB3 85 ARG+ HD3 1.800 3.860
&rst iat=1301, 1307, r1=1.300, r2=1.800, r3=3.860, r4= 4.360,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 85 ARG+ HB2 85 ARG+ HG3 1.800 3.420
&rst iat=1300, 1304, r1=1.300, r2=1.800, r3=3.420, r4= 3.920,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 85 ARG+ HG2 85 ARG+ HG3 1.800 3.020
&rst iat=1303, 1304, r1=1.300, r2=1.800, r3=3.020, r4= 3.520,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 85 ARG+ HB2 85 ARG+ HG2 1.800 3.520
&rst iat=1300, 1303, r1=1.300, r2=1.800, r3=3.520, r4= 4.020,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 85 ARG+ HG3 85 ARG+ HD3 1.800 3.450
&rst iat=1304, 1307, r1=1.300, r2=1.800, r3=3.450, r4= 3.950,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 85 ARG+ HA 85 ARG+ HG2 1.800 5.440
&rst iat=1298, 1303, r1=1.300, r2=1.800, r3=5.440, r4= 5.940,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 85 ARG+ HD2 85 ARG+ HD3 1.800 2.400
&rst iat=1306, 1307, r1=1.300, r2=1.800, r3=2.400, r4= 2.900,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 85 ARG+ HB2 85 ARG+ HD3 1.800 3.830
&rst iat=1300, 1307, r1=1.300, r2=1.800, r3=3.830, r4= 4.330,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 85 ARG+ HB2 85 ARG+ HD2 1.800 3.860
&rst iat=1300, 1306, r1=1.300, r2=1.800, r3=3.860, r4= 4.360,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 85 ARG+ HG3 85 ARG+ HD2 1.800 3.080
&rst iat=1304, 1306, r1=1.300, r2=1.800, r3=3.080, r4= 3.580,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 85 ARG+ HA 85 ARG+ HD3 1.800 5.500
&rst iat=1298, 1307, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 86 GLU- HB3 86 GLU- HB2 1.800 3.210
&rst iat=1325, 1324, r1=1.300, r2=1.800, r3=3.210, r4= 3.710,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 91 LYS+ HA 91 LYS+ HG2 1.800 2.900
&rst iat=1380, 1385, r1=1.300, r2=1.800, r3=2.900, r4= 3.400,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 91 LYS+ HB3 91 LYS+ HG2 1.800 3.050
&rst iat=1383, 1385, r1=1.300, r2=1.800, r3=3.050, r4= 3.550,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 91 LYS+ HG2 91 LYS+ HE2 1.800 4.040
&rst iat=1385, 1391, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 91 LYS+ HB3 91 LYS+ HE2 1.800 2.400
&rst iat=1383, 1391, r1=1.300, r2=1.800, r3=2.400, r4= 2.900,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 91 LYS+ HA 91 LYS+ HE2 1.800 4.510
&rst iat=1380, 1391, r1=1.300, r2=1.800, r3=4.510, r4= 5.010,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 92 TYR HA 92 TYR HD1 1.800 3.480
&rst iat=1402, 1408, r1=1.300, r2=1.800, r3=3.480, r4= 3.980,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 92 TYR HB3 92 TYR HB2 1.800 3.170
&rst iat=1405, 1404, r1=1.300, r2=1.800, r3=3.170, r4= 3.670,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 92 TYR HB3 92 TYR HD1 1.800 3.640
&rst iat=1405, 1408, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 92 TYR HB2 92 TYR HD1 1.800 3.480
&rst iat=1404, 1408, r1=1.300, r2=1.800, r3=3.480, r4= 3.980,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 93 PRO HD3 93 PRO HA 1.800 5.190
&rst iat=1423, 1431, r1=1.300, r2=1.800, r3=5.190, r4= 5.690,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 92 TYR HD1 93 PRO HA 1.800 4.480
&rst iat=1408, 1431, r1=1.300, r2=1.800, r3=4.480, r4= 4.980,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 93 PRO HG3 93 PRO HB2 1.800 3.700
&rst iat=1426, 1428, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 93 PRO HG2 93 PRO HB2 1.800 3.670
&rst iat=1425, 1428, r1=1.300, r2=1.800, r3=3.670, r4= 4.170,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 93 PRO HB3 93 PRO HB2 1.800 3.170
&rst iat=1429, 1428, r1=1.300, r2=1.800, r3=3.170, r4= 3.670,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 93 PRO HD2 93 PRO HB2 1.800 4.070
&rst iat=1422, 1428, r1=1.300, r2=1.800, r3=4.070, r4= 4.570,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 93 PRO HG2 93 PRO HB3 1.800 2.860
&rst iat=1425, 1429, r1=1.300, r2=1.800, r3=2.860, r4= 3.360,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 93 PRO HG2 93 PRO HG3 1.800 2.550
&rst iat=1425, 1426, r1=1.300, r2=1.800, r3=2.550, r4= 3.050,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 93 PRO HA 93 PRO HG2 1.800 5.500
&rst iat=1431, 1425, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 93 PRO HA 93 PRO HG3 1.800 4.820
&rst iat=1431, 1426, r1=1.300, r2=1.800, r3=4.820, r4= 5.320,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 93 PRO HD3 93 PRO HG3 1.800 3.980
&rst iat=1423, 1426, r1=1.300, r2=1.800, r3=3.980, r4= 4.480,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 93 PRO HD3 93 PRO HD2 1.800 2.830
&rst iat=1423, 1422, r1=1.300, r2=1.800, r3=2.830, r4= 3.330,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 93 PRO HB3 93 PRO HD2 1.800 5.500
&rst iat=1429, 1422, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 93 PRO HG2 93 PRO HD2 1.800 3.550
&rst iat=1425, 1422, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 93 PRO HG3 93 PRO HD2 1.800 4.100
&rst iat=1426, 1422, r1=1.300, r2=1.800, r3=4.100, r4= 4.600,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 93 PRO HB2 93 PRO HD3 1.800 5.500
&rst iat=1428, 1423, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 93 PRO HG2 93 PRO HD3 1.800 3.700
&rst iat=1425, 1423, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 93 PRO HB3 93 PRO HD3 1.800 5.500
&rst iat=1429, 1423, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 93 PRO HD2 94 ASN HD22 1.800 5.500
&rst iat=1422, 1445, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 92 TYR HD1 93 PRO HD3 1.800 5.500
&rst iat=1408, 1423, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 91 LYS+ HB3 94 ASN HB3 1.800 4.200
&rst iat=1383, 1440, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 27 ASN HD21 96 ALA HA 1.800 5.500
&rst iat= 386, 1463, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 97 TYR HB2 97 TYR HB3 1.800 3.580
&rst iat=1475, 1476, r1=1.300, r2=1.800, r3=3.580, r4= 4.080,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 26 CYSS HB3 97 TYR HB3 1.800 5.500
&rst iat= 370, 1476, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 26 CYSS HB3 97 TYR HB2 1.800 4.970
&rst iat= 370, 1475, r1=1.300, r2=1.800, r3=4.970, r4= 5.470,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 97 TYR HB3 97 TYR HE1 1.800 5.500
&rst iat=1476, 1481, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 97 TYR HB2 97 TYR HE1 1.800 5.500
&rst iat=1475, 1481, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 97 TYR HB2 97 TYR HD1 1.800 5.040
&rst iat=1475, 1479, r1=1.300, r2=1.800, r3=5.040, r4= 5.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 97 TYR HB3 97 TYR HD1 1.800 5.500
&rst iat=1476, 1479, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 98 LYS+ HA 98 LYS+ HG3 1.800 3.790
&rst iat=1494, 1500, r1=1.300, r2=1.800, r3=3.790, r4= 4.290,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 98 LYS+ HB2 98 LYS+ HB3 1.800 2.620
&rst iat=1496, 1497, r1=1.300, r2=1.800, r3=2.620, r4= 3.120,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 98 LYS+ HB2 98 LYS+ HG2 1.800 3.210
&rst iat=1496, 1499, r1=1.300, r2=1.800, r3=3.210, r4= 3.710,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 61 LYS+ HB2 74 GLN HN 1.800 5.500
&rst iat= 920, 1121, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 98 LYS+ HA 98 LYS+ HG2 1.800 3.950
&rst iat=1494, 1499, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 98 LYS+ HG2 98 LYS+ HG3 1.800 2.400
&rst iat=1499, 1500, r1=1.300, r2=1.800, r3=2.400, r4= 2.900,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 98 LYS+ HB3 98 LYS+ HG2 1.800 3.420
&rst iat=1497, 1499, r1=1.300, r2=1.800, r3=3.420, r4= 3.920,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 98 LYS+ HB3 98 LYS+ HG3 1.800 4.140
&rst iat=1497, 1500, r1=1.300, r2=1.800, r3=4.140, r4= 4.640,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 22 SER HA 99 THR HB 1.800 4.660
&rst iat= 310, 1518, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 101 GLN HA 101 GLN HG2 1.800 3.140
&rst iat=1544, 1549, r1=1.300, r2=1.800, r3=3.140, r4= 3.640,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 101 GLN HB2 101 GLN HG2 1.800 3.640
&rst iat=1546, 1549, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 101 GLN HB2 101 GLN HG3 1.800 3.860
&rst iat=1546, 1550, r1=1.300, r2=1.800, r3=3.860, r4= 4.360,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 101 GLN HG3 101 GLN HG2 1.800 2.400
&rst iat=1550, 1549, r1=1.300, r2=1.800, r3=2.400, r4= 2.900,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 101 GLN HA 101 GLN HG3 1.800 5.500
&rst iat=1544, 1550, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 103 GLU- HA 103 GLU- HG2 1.800 3.730
&rst iat=1577, 1582, r1=1.300, r2=1.800, r3=3.730, r4= 4.230,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 103 GLU- HB2 103 GLU- HG2 1.800 3.580
&rst iat=1579, 1582, r1=1.300, r2=1.800, r3=3.580, r4= 4.080,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 103 GLU- HG3 103 GLU- HG2 1.800 2.710
&rst iat=1583, 1582, r1=1.300, r2=1.800, r3=2.710, r4= 3.210,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 103 GLU- HB3 103 GLU- HG3 1.800 3.790
&rst iat=1580, 1583, r1=1.300, r2=1.800, r3=3.790, r4= 4.290,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 103 GLU- HB3 103 GLU- HG2 1.800 3.520
&rst iat=1580, 1582, r1=1.300, r2=1.800, r3=3.520, r4= 4.020,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 103 GLU- HB2 103 GLU- HG3 1.800 4.040
&rst iat=1579, 1583, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 103 GLU- HA 103 GLU- HG3 1.800 5.130
&rst iat=1577, 1583, r1=1.300, r2=1.800, r3=5.130, r4= 5.630,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 104 LYS+ HB2 123 SER HB2 1.800 3.480
&rst iat=1594, 1877, r1=1.300, r2=1.800, r3=3.480, r4= 3.980,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 104 LYS+ HB2 104 LYS+ HE3 1.800 5.500
&rst iat=1594, 1604, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 104 LYS+ HB2 104 LYS+ HG2 1.800 4.070
&rst iat=1594, 1597, r1=1.300, r2=1.800, r3=4.070, r4= 4.570,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 104 LYS+ HB2 104 LYS+ HB3 1.800 2.960
&rst iat=1594, 1595, r1=1.300, r2=1.800, r3=2.960, r4= 3.460,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 104 LYS+ HB3 123 SER HB2 1.800 3.790
&rst iat=1595, 1877, r1=1.300, r2=1.800, r3=3.790, r4= 4.290,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 104 LYS+ HG2 123 SER HB2 1.800 4.260
&rst iat=1597, 1877, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 104 LYS+ HG2 124 VAL HA 1.800 3.640
&rst iat=1597, 1886, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 104 LYS+ HB3 104 LYS+ HG2 1.800 3.520
&rst iat=1595, 1597, r1=1.300, r2=1.800, r3=3.520, r4= 4.020,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 104 LYS+ HN 104 LYS+ HG2 1.800 5.500
&rst iat=1590, 1597, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 102 VAL HB 104 LYS+ HD3 1.800 4.200
&rst iat=1563, 1601, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 104 LYS+ HB3 104 LYS+ HD3 1.800 3.390
&rst iat=1595, 1601, r1=1.300, r2=1.800, r3=3.390, r4= 3.890,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 104 LYS+ HN 104 LYS+ HD3 1.800 5.500
&rst iat=1590, 1601, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 104 LYS+ HA 104 LYS+ HE3 1.800 5.160
&rst iat=1592, 1604, r1=1.300, r2=1.800, r3=5.160, r4= 5.660,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 104 LYS+ HE3 123 SER HB2 1.800 5.160
&rst iat=1604, 1877, r1=1.300, r2=1.800, r3=5.160, r4= 5.660,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 104 LYS+ HB3 104 LYS+ HE3 1.800 4.100
&rst iat=1595, 1604, r1=1.300, r2=1.800, r3=4.100, r4= 4.600,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 102 VAL HB 104 LYS+ HE3 1.800 3.210
&rst iat=1563, 1604, r1=1.300, r2=1.800, r3=3.210, r4= 3.710,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 104 LYS+ HG2 104 LYS+ HE3 1.800 2.650
&rst iat=1597, 1604, r1=1.300, r2=1.800, r3=2.650, r4= 3.150,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 104 LYS+ HD3 104 LYS+ HE3 1.800 2.620
&rst iat=1601, 1604, r1=1.300, r2=1.800, r3=2.620, r4= 3.120,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 105 HIS+ HB2 105 HIS+ HB3 1.800 3.110
&rst iat=1616, 1617, r1=1.300, r2=1.800, r3=3.110, r4= 3.610,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 74 GLN HG3 105 HIS+ HB3 1.800 5.500
&rst iat=1129, 1617, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 74 GLN HG3 105 HIS+ HB2 1.800 5.500
&rst iat=1129, 1616, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 105 HIS+ HB2 107 ILE HG12 1.800 3.890
&rst iat=1616, 1659, r1=1.300, r2=1.800, r3=3.890, r4= 4.390,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 105 HIS+ HB3 105 HIS+ HD2 1.800 5.500
&rst iat=1617, 1626, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 105 HIS+ HB2 105 HIS+ HD2 1.800 5.500
&rst iat=1616, 1626, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 105 HIS+ HB2 105 HIS+ HE2 1.800 5.070
&rst iat=1616, 1624, r1=1.300, r2=1.800, r3=5.070, r4= 5.570,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 106 ILE HA 123 SER HB2 1.800 4.040
&rst iat=1632, 1877, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 106 ILE HA 106 ILE HG13 1.800 3.920
&rst iat=1632, 1641, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 106 ILE HA 120 PHE HE1 1.800 5.160
&rst iat=1632, 1841, r1=1.300, r2=1.800, r3=5.160, r4= 5.660,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 75 SER HB2 106 ILE HB 1.800 5.500
&rst iat=1142, 1634, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 106 ILE HB 106 ILE HG13 1.800 4.350
&rst iat=1634, 1641, r1=1.300, r2=1.800, r3=4.350, r4= 4.850,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 106 ILE HB 120 PHE HE1 1.800 3.760
&rst iat=1634, 1841, r1=1.300, r2=1.800, r3=3.760, r4= 4.260,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 107 ILE HA 107 ILE HG12 1.800 3.210
&rst iat=1651, 1659, r1=1.300, r2=1.800, r3=3.210, r4= 3.710,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 107 ILE HA 121 ASP- HB3 1.800 4.420
&rst iat=1651, 1856, r1=1.300, r2=1.800, r3=4.420, r4= 4.920,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 107 ILE HB 121 ASP- HB2 1.800 4.230
&rst iat=1653, 1855, r1=1.300, r2=1.800, r3=4.230, r4= 4.730,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 107 ILE HB 107 ILE HG12 1.800 2.400
&rst iat=1653, 1659, r1=1.300, r2=1.800, r3=2.400, r4= 2.900,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 107 ILE HG12 107 ILE HG13 1.800 2.740
&rst iat=1659, 1660, r1=1.300, r2=1.800, r3=2.740, r4= 3.240,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 107 ILE HB 107 ILE HG13 1.800 4.140
&rst iat=1653, 1660, r1=1.300, r2=1.800, r3=4.140, r4= 4.640,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 74 GLN HG3 107 ILE HG12 1.800 5.190
&rst iat=1129, 1659, r1=1.300, r2=1.800, r3=5.190, r4= 5.690,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 74 GLN HG3 107 ILE HG13 1.800 5.440
&rst iat=1129, 1660, r1=1.300, r2=1.800, r3=5.440, r4= 5.940,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 107 ILE HA 107 ILE HG13 1.800 4.140
&rst iat=1651, 1660, r1=1.300, r2=1.800, r3=4.140, r4= 4.640,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 97 TYR HA 97 TYR HE1 1.800 5.500
&rst iat=1473, 1481, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 97 TYR HA 97 TYR HD1 1.800 5.250
&rst iat=1473, 1479, r1=1.300, r2=1.800, r3=5.250, r4= 5.750,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 109 ALA HA 119 HIS+ HB3 1.800 5.500
&rst iat=1686, 1818, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 72 CYSS HB3 109 ALA HA 1.800 5.500
&rst iat=1093, 1686, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 110 CYSS HA 117 PRO HB3 1.800 5.500
&rst iat=1696, 1791, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 110 CYSS HA 117 PRO HD3 1.800 5.500
&rst iat=1696, 1785, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 110 CYSS HB3 110 CYSS HB2 1.800 3.020
&rst iat=1699, 1698, r1=1.300, r2=1.800, r3=3.020, r4= 3.520,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 58 CYSS HA 110 CYSS HB2 1.800 4.010
&rst iat= 878, 1698, r1=1.300, r2=1.800, r3=4.010, r4= 4.510,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 58 CYSS HA 110 CYSS HB3 1.800 4.630
&rst iat= 878, 1699, r1=1.300, r2=1.800, r3=4.630, r4= 5.130,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 110 CYSS HB2 117 PRO HA 1.800 4.600
&rst iat=1698, 1793, r1=1.300, r2=1.800, r3=4.600, r4= 5.100,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 73 TYR HD1 110 CYSS HB2 1.800 5.500
&rst iat=1108, 1698, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 73 TYR HD1 110 CYSS HB3 1.800 5.500
&rst iat=1108, 1699, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 113 LYS+ HA 114 PRO HD3 1.800 5.310
&rst iat=1722, 1744, r1=1.300, r2=1.800, r3=5.310, r4= 5.810,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 113 LYS+ HB2 113 LYS+ HG3 1.800 4.230
&rst iat=1724, 1728, r1=1.300, r2=1.800, r3=4.230, r4= 4.730,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 113 LYS+ HB2 113 LYS+ HG2 1.800 4.170
&rst iat=1724, 1727, r1=1.300, r2=1.800, r3=4.170, r4= 4.670,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 113 LYS+ HB3 113 LYS+ HG3 1.800 4.230
&rst iat=1725, 1728, r1=1.300, r2=1.800, r3=4.230, r4= 4.730,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 113 LYS+ HB3 113 LYS+ HG2 1.800 3.550
&rst iat=1725, 1727, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 113 LYS+ HB3 113 LYS+ HB2 1.800 2.400
&rst iat=1725, 1724, r1=1.300, r2=1.800, r3=2.400, r4= 2.900,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 114 PRO HD3 114 PRO HA 1.800 4.850
&rst iat=1744, 1752, r1=1.300, r2=1.800, r3=4.850, r4= 5.350,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 114 PRO HD2 114 PRO HB2 1.800 5.500
&rst iat=1743, 1749, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 114 PRO HD3 114 PRO HB2 1.800 4.760
&rst iat=1744, 1749, r1=1.300, r2=1.800, r3=4.760, r4= 5.260,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 114 PRO HB2 114 PRO HB3 1.800 2.400
&rst iat=1749, 1750, r1=1.300, r2=1.800, r3=2.400, r4= 2.900,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 114 PRO HG3 114 PRO HG2 1.800 2.490
&rst iat=1747, 1746, r1=1.300, r2=1.800, r3=2.490, r4= 2.990,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 114 PRO HB3 114 PRO HG2 1.800 4.260
&rst iat=1750, 1746, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 114 PRO HB3 114 PRO HG3 1.800 4.660
&rst iat=1750, 1747, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 114 PRO HD2 114 PRO HG2 1.800 3.550
&rst iat=1743, 1746, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 114 PRO HA 114 PRO HG2 1.800 5.500
&rst iat=1752, 1746, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 114 PRO HA 114 PRO HG3 1.800 5.500
&rst iat=1752, 1747, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 114 PRO HG2 114 PRO HD3 1.800 3.610
&rst iat=1746, 1744, r1=1.300, r2=1.800, r3=3.610, r4= 4.110,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 114 PRO HB3 114 PRO HD2 1.800 4.100
&rst iat=1750, 1743, r1=1.300, r2=1.800, r3=4.100, r4= 4.600,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 114 PRO HB3 114 PRO HD3 1.800 4.660
&rst iat=1750, 1744, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 114 PRO HG3 114 PRO HD3 1.800 2.620
&rst iat=1747, 1744, r1=1.300, r2=1.800, r3=2.620, r4= 3.120,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 114 PRO HG3 114 PRO HD2 1.800 4.320
&rst iat=1747, 1743, r1=1.300, r2=1.800, r3=4.320, r4= 4.820,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 114 PRO HD2 114 PRO HD3 1.800 2.400
&rst iat=1743, 1744, r1=1.300, r2=1.800, r3=2.400, r4= 2.900,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 114 PRO HA 114 PRO HD2 1.800 4.880
&rst iat=1752, 1743, r1=1.300, r2=1.800, r3=4.880, r4= 5.380,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 115 SER HB3 115 SER HB2 1.800 2.400
&rst iat=1761, 1760, r1=1.300, r2=1.800, r3=2.400, r4= 2.900,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 116 VAL HA 117 PRO HD3 1.800 3.080
&rst iat=1769, 1785, r1=1.300, r2=1.800, r3=3.080, r4= 3.580,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 55 LYS+ HG3 116 VAL HA 1.800 5.500
&rst iat= 836, 1769, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 110 CYSS HB3 117 PRO HA 1.800 5.280
&rst iat=1699, 1793, r1=1.300, r2=1.800, r3=5.280, r4= 5.780,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 108 VAL HB 117 PRO HA 1.800 5.500
&rst iat=1672, 1793, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 117 PRO HG2 117 PRO HA 1.800 3.950
&rst iat=1787, 1793, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 117 PRO HG2 117 PRO HB2 1.800 3.450
&rst iat=1787, 1790, r1=1.300, r2=1.800, r3=3.450, r4= 3.950,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 108 VAL HB 117 PRO HB2 1.800 5.500
&rst iat=1672, 1790, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 8 PHE HZ 117 PRO HB2 1.800 5.190
&rst iat= 116, 1790, r1=1.300, r2=1.800, r3=5.190, r4= 5.690,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 8 PHE HZ 117 PRO HB3 1.800 5.500
&rst iat= 116, 1791, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 117 PRO HG2 117 PRO HB3 1.800 3.920
&rst iat=1787, 1791, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 117 PRO HB2 117 PRO HB3 1.800 3.140
&rst iat=1790, 1791, r1=1.300, r2=1.800, r3=3.140, r4= 3.640,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 39 LYS+ HG2 39 LYS+ HD3 1.800 3.240
&rst iat= 584, 588, r1=1.300, r2=1.800, r3=3.240, r4= 3.740,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 117 PRO HD3 117 PRO HG2 1.800 3.300
&rst iat=1785, 1787, r1=1.300, r2=1.800, r3=3.300, r4= 3.800,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 8 PHE HZ 117 PRO HG2 1.800 4.380
&rst iat= 116, 1787, r1=1.300, r2=1.800, r3=4.380, r4= 4.880,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 117 PRO HB2 117 PRO HD2 1.800 4.480
&rst iat=1790, 1784, r1=1.300, r2=1.800, r3=4.480, r4= 4.980,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 117 PRO HB2 117 PRO HD3 1.800 5.500
&rst iat=1790, 1785, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 55 LYS+ HG3 117 PRO HD3 1.800 4.040
&rst iat= 836, 1785, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 55 LYS+ HG3 117 PRO HD2 1.800 4.140
&rst iat= 836, 1784, r1=1.300, r2=1.800, r3=4.140, r4= 4.640,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 117 PRO HG2 117 PRO HD2 1.800 3.390
&rst iat=1787, 1784, r1=1.300, r2=1.800, r3=3.390, r4= 3.890,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 55 LYS+ HB2 117 PRO HD2 1.800 4.690
&rst iat= 832, 1784, r1=1.300, r2=1.800, r3=4.690, r4= 5.190,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 116 VAL HB 117 PRO HD2 1.800 3.080
&rst iat=1771, 1784, r1=1.300, r2=1.800, r3=3.080, r4= 3.580,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 116 VAL HB 117 PRO HD3 1.800 4.100
&rst iat=1771, 1785, r1=1.300, r2=1.800, r3=4.100, r4= 4.600,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 117 PRO HD3 117 PRO HD2 1.800 2.830
&rst iat=1785, 1784, r1=1.300, r2=1.800, r3=2.830, r4= 3.330,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 116 VAL HA 117 PRO HD2 1.800 3.210
&rst iat=1769, 1784, r1=1.300, r2=1.800, r3=3.210, r4= 3.710,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 8 PHE HB2 118 VAL HA 1.800 4.040
&rst iat= 108, 1799, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 8 PHE HB3 118 VAL HA 1.800 3.790
&rst iat= 109, 1799, r1=1.300, r2=1.800, r3=3.790, r4= 4.290,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 8 PHE HZ 118 VAL HA 1.800 5.500
&rst iat= 116, 1799, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 8 PHE HE1 119 HIS+ HA 1.800 5.500
&rst iat= 114, 1815, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 119 HIS+ HA 119 HIS+ HD2 1.800 4.540
&rst iat=1815, 1827, r1=1.300, r2=1.800, r3=4.540, r4= 5.040,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 119 HIS+ HB3 119 HIS+ HB2 1.800 3.050
&rst iat=1818, 1817, r1=1.300, r2=1.800, r3=3.050, r4= 3.550,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 8 PHE HE1 119 HIS+ HB3 1.800 5.500
&rst iat= 114, 1818, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 120 PHE HA 120 PHE HD1 1.800 4.630
&rst iat=1833, 1839, r1=1.300, r2=1.800, r3=4.630, r4= 5.130,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 8 PHE HZ 120 PHE HA 1.800 4.290
&rst iat= 116, 1833, r1=1.300, r2=1.800, r3=4.290, r4= 4.790,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 120 PHE HB3 120 PHE HB2 1.800 3.330
&rst iat=1836, 1835, r1=1.300, r2=1.800, r3=3.330, r4= 3.830,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 120 PHE HB2 120 PHE HD1 1.800 5.500
&rst iat=1835, 1839, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 8 PHE HZ 120 PHE HB2 1.800 4.910
&rst iat= 116, 1835, r1=1.300, r2=1.800, r3=4.910, r4= 5.410,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 8 PHE HZ 120 PHE HB3 1.800 4.940
&rst iat= 116, 1836, r1=1.300, r2=1.800, r3=4.940, r4= 5.440,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 120 PHE HB3 120 PHE HD1 1.800 4.010
&rst iat=1836, 1839, r1=1.300, r2=1.800, r3=4.010, r4= 4.510,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 121 ASP- HB2 121 ASP- HB3 1.800 3.020
&rst iat=1855, 1856, r1=1.300, r2=1.800, r3=3.020, r4= 3.520,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 107 ILE HB 121 ASP- HB3 1.800 3.640
&rst iat=1653, 1856, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 107 ILE HG12 122 ALA HA 1.800 5.500
&rst iat=1659, 1865, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 120 PHE HZ 122 ALA HA 1.800 5.500
&rst iat=1843, 1865, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 123 SER HB2 123 SER HB3 1.800 2.430
&rst iat=1877, 1878, r1=1.300, r2=1.800, r3=2.430, r4= 2.930,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 106 ILE HA 123 SER HB3 1.800 5.040
&rst iat=1632, 1878, r1=1.300, r2=1.800, r3=5.040, r4= 5.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 120 PHE HE1 123 SER HB3 1.800 4.350
&rst iat=1841, 1878, r1=1.300, r2=1.800, r3=4.350, r4= 4.850,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 120 PHE HE1 123 SER HB2 1.800 5.000
&rst iat=1841, 1877, r1=1.300, r2=1.800, r3=5.000, r4= 5.500,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 104 LYS+ HB3 123 SER HB3 1.800 5.100
&rst iat=1595, 1878, r1=1.300, r2=1.800, r3=5.100, r4= 5.600,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 104 LYS+ HG2 123 SER HB3 1.800 5.190
&rst iat=1597, 1878, r1=1.300, r2=1.800, r3=5.190, r4= 5.690,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 104 LYS+ HB2 123 SER HB3 1.800 3.790
&rst iat=1594, 1878, r1=1.300, r2=1.800, r3=3.790, r4= 4.290,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 81 ILE HG13 123 SER HB2 1.800 5.500
&rst iat=1250, 1877, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 81 ILE HG13 123 SER HB3 1.800 5.500
&rst iat=1250, 1878, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 104 LYS+ HE3 124 VAL HA 1.800 4.350
&rst iat=1604, 1886, r1=1.300, r2=1.800, r3=4.350, r4= 4.850,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 105 HIS+ HB2 124 VAL HB 1.800 5.500
&rst iat=1616, 1888, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 30 MET HB2 30 MET HG2 1.800 5.500
&rst iat= 433, 436, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 30 MET HG2 30 MET HG3 1.800 5.500
&rst iat= 436, 437, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 30 MET HB2 30 MET HG3 1.800 4.350
&rst iat= 433, 437, r1=1.300, r2=1.800, r3=4.350, r4= 4.850,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 107 ILE HG13 123 SER HA 1.800 3.980
&rst iat=1660, 1875, r1=1.300, r2=1.800, r3=3.980, r4= 4.480,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 106 ILE HB 123 SER HA 1.800 5.130
&rst iat=1634, 1875, r1=1.300, r2=1.800, r3=5.130, r4= 5.630,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 104 LYS+ HB3 123 SER HA 1.800 5.380
&rst iat=1595, 1875, r1=1.300, r2=1.800, r3=5.380, r4= 5.880,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 120 PHE HE1 123 SER HA 1.800 4.570
&rst iat=1841, 1875, r1=1.300, r2=1.800, r3=4.570, r4= 5.070,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 79 MET HA 79 MET HG2 1.800 4.010
&rst iat=1198, 1203, r1=1.300, r2=1.800, r3=4.010, r4= 4.510,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 8 PHE HA 119 HIS+ HD2 1.800 5.500
&rst iat= 106, 1827, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 30 MET HA 46 PHE HZ 1.800 4.380
&rst iat= 431, 703, r1=1.300, r2=1.800, r3=4.380, r4= 4.880,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 55 LYS+ HA 55 LYS+ HG3 1.800 3.240
&rst iat= 830, 836, r1=1.300, r2=1.800, r3=3.240, r4= 3.740,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 55 LYS+ HA 117 PRO HG2 1.800 3.640
&rst iat= 830, 1787, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 55 LYS+ HA 55 LYS+ HG2 1.800 3.700
&rst iat= 830, 835, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 55 LYS+ HA 116 VAL HB 1.800 5.500
&rst iat= 830, 1771, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 55 LYS+ HA 117 PRO HD2 1.800 3.640
&rst iat= 830, 1784, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 36 THR HB 40 CYSS HB2 1.800 5.500
&rst iat= 543, 603, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 36 THR HB 40 CYSS HB3 1.800 5.500
&rst iat= 543, 604, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 90 SER HB3 90 SER HB2 1.800 2.710
&rst iat=1372, 1371, r1=1.300, r2=1.800, r3=2.710, r4= 3.210,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 86 GLU- HB2 90 SER HB2 1.800 4.660
&rst iat=1324, 1371, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 86 GLU- HB3 90 SER HB2 1.800 3.240
&rst iat=1325, 1371, r1=1.300, r2=1.800, r3=3.240, r4= 3.740,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 86 GLU- HB3 90 SER HB3 1.800 4.070
&rst iat=1325, 1372, r1=1.300, r2=1.800, r3=4.070, r4= 4.570,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 65 CYSS HB3 65 CYSS HB2 1.800 4.260
&rst iat= 995, 994, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 29 MET HN 29 MET HG2 1.800 5.500
&rst iat= 410, 417, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 75 SER HB2 106 ILE HN 1.800 5.500
&rst iat=1142, 1630, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 75 SER HB3 106 ILE HN 1.800 5.500
&rst iat=1143, 1630, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 75 SER HB3 75 SER HB2 1.800 2.860
&rst iat=1143, 1142, r1=1.300, r2=1.800, r3=2.860, r4= 3.360,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 75 SER HB2 106 ILE HG13 1.800 4.760
&rst iat=1142, 1641, r1=1.300, r2=1.800, r3=4.760, r4= 5.260,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 75 SER HB3 106 ILE HG13 1.800 5.040
&rst iat=1143, 1641, r1=1.300, r2=1.800, r3=5.040, r4= 5.540,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 33 ARG+ HA 33 ARG+ HG3 1.800 4.790
&rst iat= 476, 482, r1=1.300, r2=1.800, r3=4.790, r4= 5.290,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 26 CYSS HA 84 CYSS HB3 1.800 5.500
&rst iat= 367, 1289, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 29 MET HB3 29 MET HG3 1.800 5.500
&rst iat= 415, 418, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 29 MET HB3 29 MET HG2 1.800 5.500
&rst iat= 415, 417, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 108 VAL HA 119 HIS+ HB3 1.800 5.500
&rst iat=1670, 1818, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 52 ALA HA 55 LYS+ HD2 1.800 3.890
&rst iat= 792, 838, r1=1.300, r2=1.800, r3=3.890, r4= 4.390,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 62 LYS+ HG2 73 TYR HA 1.800 4.510
&rst iat= 945, 1102, r1=1.300, r2=1.800, r3=4.510, r4= 5.010,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 62 LYS+ HG3 73 TYR HE1 1.800 5.500
&rst iat= 946, 1110, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 85 ARG+ HG2 85 ARG+ HD3 1.800 3.640
&rst iat=1303, 1307, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 86 GLU- HB2 90 SER HB3 1.800 5.160
&rst iat=1324, 1372, r1=1.300, r2=1.800, r3=5.160, r4= 5.660,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 42 PRO HA 86 GLU- HB2 1.800 3.760
&rst iat= 643, 1324, r1=1.300, r2=1.800, r3=3.760, r4= 4.260,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 108 VAL HB 117 PRO HB3 1.800 4.450
&rst iat=1672, 1791, r1=1.300, r2=1.800, r3=4.450, r4= 4.950,
rk2=0.000, rk3= 16.000, ir6=0, &end
# 8 PHE HB3 9 GLU- HG3 1.800 5.500
&rst iat= 109, 132, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0, &end
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