| 1 | !standard torsion restraints for amino acids |
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| 2 | F 1.0 |
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| 3 | A -1.9592 61.1270 .8043 -2.6645 181.1024 .5756 -2.8200 290.8886 .4743 ARG-3 |
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| 4 | A -2.2979 66.7524 .6069 -2.8053 177.2519 .4844 -2.5303 287.2872 .5340 ARG-4 |
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| 5 | A -2.6273 89.5600 .2652 -2.5959 180.0620 .4899 -2.7182 266.3032 .3903 ARG-5 |
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| 6 | A -2.4362 58.9476 1.2450 -2.6012 187.6714 .8333 -2.8656 285.2237 .5418 ASN-3 |
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| 7 | A -2.3409 56.4424 1.0517 -2.6958 186.3785 .8492 -2.8341 284.3091 .6542 ASP-3 |
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| 8 | A -2.1203 58.7436 2.0951 -2.6849 179.2985 1.4590 -2.9399 290.5887 .9848 CYS-3 |
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| 9 | A -2.8884 86.7081 1.3498 -3.2044 270.1052 3.2717 0. 0. 0. CYS-4 |
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| 10 | A -1.7694 56.6939 .7456 -2.4276 182.2506 .5365 -2.7730 288.8074 .5470 GLN-3 |
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| 11 | A -1.8877 54.0509 .5946 -2.4821 180.1479 .5312 -2.6265 291.5364 .3573 GLU-3 |
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| 12 | A -2.2543 58.7299 1.5447 -2.7615 181.5820 1.2700 -2.9266 290.1986 .9073 HIS-3 |
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| 13 | A -1.8803 62.3891 .5849 -1.8457 187.4695 .8065 -2.9857 291.2581 1.0360 ILE-3 |
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| 14 | A -1.1412 63.1147 1.4488 -2.5752 184.8050 .7145 -2.9094 280.2031 .5143 LEU-3 |
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| 15 | A -1.9382 57.2549 .6429 -2.5073 178.6950 .4352 -2.8466 288.8149 .4172 LYS-3 |
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| 16 | A -1.8647 58.7717 .5792 -2.8264 176.3835 .2149 -1.9124 291.7481 .6687 LYS-4 |
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| 17 | A -1.8036 63.0385 .6312 -2.8583 175.2185 .3422 -1.8828 288.8080 .5829 LYS-5 |
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| 18 | A -1.7774 57.3295 1.1035 -2.3070 184.0556 .6021 -2.8817 286.1389 .9743 MET-3 |
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| 19 | A -2.7927 71.2271 .4452 -2.3795 176.7110 .5974 -2.8317 282.3005 .3398 MET-4 |
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| 20 | A -2.5143 59.6239 2.3809 -2.8955 179.3776 1.3425 -2.8547 289.3825 .6958 PHE-3 |
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| 21 | A -2.8760 59.7940 .5484 -2.5272 177.8350 .5211 -2.6585 289.4083 .4967 SER-3 |
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| 22 | A -2.6669 56.9484 .6827 -1.7703 182.4063 .6626 -2.6933 295.5516 .7573 THR-3 |
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| 23 | A -2.3677 59.6414 1.9593 -2.9096 175.6854 2.0125 -2.9556 288.1154 1.1505 TRP-3 |
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| 24 | A -2.1939 61.5666 1.1351 -2.8366 177.3606 1.2152 -3.1208 288.9435 1.2593 TYR-3 |
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| 25 | A -2.1926 172.0217 2.2375 -2.0425 292.0408 1.9405 -1.2955 83.4059 .0458 VAL-3 |
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| 26 | A -2.8643 175.2106 1.8778 -1.2453 355.5601 4.7030 0.0 0.00 0.00 OMEG |
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| 27 | A -2.614 20.48 0.268 -1.969 222.00 0.166 0.000 0.00 0.000 OCCO |
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| 28 | S ARG-3 ARG .15 N CA CB CG |
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| 29 | S ARG-4 ARG .15 CA CB CG CD |
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| 30 | S ARG-5 ARG .15 CB CG CD NE |
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| 31 | S ASN-3 ASN .15 N CA CB CG |
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| 32 | S ASP-3 ASP .15 N CA CB CG |
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| 33 | S CYS-3 CYS .15 N CA CB SG |
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| 34 | S GLN-3 GLN .15 N CA CB CG |
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| 35 | S GLU-3 GLU .15 N CA CB CG |
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| 36 | S HIS-3 HIS .15 N CA CB CG |
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| 37 | S ILE-3 ILE .15 N CA CB CG1 |
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| 38 | S LEU-3 LEU .15 N CA CB CG |
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| 39 | S LYS-3 LYS .15 N CA CB CG |
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| 40 | S LYS-4 LYS .15 CA CB CG CD |
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| 41 | S LYS-5 LYS .15 CB CG CD CE |
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| 42 | S MET-3 MET .15 N CA CB CG |
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| 43 | S MET-4 MET .15 CA CB CG SD |
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| 44 | S PHE-3 PHE .15 N CA CB CG |
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| 45 | S SER-3 SER .15 N CA CB OG |
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| 46 | S THR-3 THR .15 N CA CB OG1 |
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| 47 | S TRP-3 TRP .15 N CA CB CG |
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| 48 | S TYR-3 TYR .15 N CA CB CG |
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| 49 | S VAL-3 VAL .15 N CA CB CG1 |
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| 50 | S OMEG * .15 CA C N+ CA+ |
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| 51 | S OCCO * .5 O C C+ O+ |
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