| 1 | !standard 2-torsion (Ramachandran) restraints for amino acids |
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| 2 | F .5 |
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| 3 | A 5 ALA-1 |
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| 4 | -2.6255 -72.4573 -35.0065 2.0553 1.5833 1.1132 |
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| 5 | -0.8563 52.0368 35.4533 6.0747 3.5434 2.0212 |
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| 6 | -0.3383 -121.3381 77.9800 0.4910 0.1014 0.0094 |
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| 7 | -1.5283 -143.0659 144.9847 1.1635 1.9144 0.9571 |
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| 8 | -1.8495 -75.6806 140.5732 1.5565 1.6480 0.3714 |
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| 9 | A 5 ARG-1 |
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| 10 | -2.1640 -66.2838 -46.0770 3.6062 2.8258 0.5221 |
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| 11 | -1.5499 -130.0247 133.3439 1.0763 0.9904 0.6129 |
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| 12 | -1.3864 -82.9944 141.4687 1.7594 1.9312 0.9711 |
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| 13 | -0.9140 60.0182 29.5556 22.4064 2.9631 6.8763 |
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| 14 | -1.3499 -90.4153 -17.1449 1.4774 1.2269 0.9456 |
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| 15 | A 4 ASN-1 |
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| 16 | -2.8510 -67.7619 -43.4214 4.8094 2.4907 1.0369 |
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| 17 | -1.8887 -104.6061 1.0489 1.1411 1.2169 0.5538 |
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| 18 | -2.4626 54.0496 31.5660 6.5967 2.2671 2.6439 |
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| 19 | -1.4611 -109.5252 126.7294 0.3837 0.2936 0.0299 |
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| 20 | A 5 ASN-2 |
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| 21 | -1.8775 60.3976 2.2580 5.5805 .3121 .5153 |
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| 22 | -1.2258 189.0683 27.1893 1.9359 .4997 .0196 |
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| 23 | -2.4863 288.8162 128.2749 2.6667 .3774 .2332 |
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| 24 | -3.1390 286.3452 314.7117 2.8296 .4224 .2936 |
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| 25 | -1.1889 181.9354 279.7614 5.6739 .0368 .0312 |
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| 26 | A 4 ASP-1 |
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| 27 | -2.3182 -65.4763 -45.8096 4.7747 4.0879 1.3896 |
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| 28 | -1.8950 -94.7772 -11.7276 1.3044 1.1207 0.7978 |
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| 29 | -1.5921 52.3613 34.2142 7.6117 2.8921 3.2538 |
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| 30 | -1.4813 -103.3308 125.2018 0.3889 0.2952 0.0129 |
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| 31 | A 3 ASP-2 |
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| 32 | -1.8874 58.9610 -13.6171 5.0688 .2747 -.0441 |
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| 33 | -2.1161 183.9626 5.4135 2.4540 .2145 .1426 |
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| 34 | -3.0788 286.6877 328.5786 2.8798 .5640 .5757 |
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| 35 | A 4 CYS-1 |
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| 36 | -2.1599 -65.5126 -49.0094 5.3458 12.6339 0.9390 |
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| 37 | -1.8012 -80.8574 -25.9539 2.0490 1.8440 1.2920 |
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| 38 | -1.9697 48.8241 38.5636 57.6087 11.5021 20.4292 |
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| 39 | -1.5062 -113.2304 134.8241 0.3716 0.6983 0.1383 |
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| 40 | A 4 GLN-1 |
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| 41 | -2.6859 -65.6562 -43.6556 5.1342 3.4536 1.2144 |
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| 42 | -1.3647 -93.7718 -15.8062 1.3614 1.0259 0.4982 |
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| 43 | -1.1512 50.4572 39.8486 8.6569 4.0323 4.4585 |
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| 44 | -1.6271 -109.3409 134.5292 0.3708 1.0226 0.1607 |
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| 45 | A 6 GLN-2 |
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| 46 | -1.7572 60.0658 177.5251 2.5797 2.7371 .3383 |
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| 47 | -2.0356 176.6300 62.1206 2.9126 3.8974 .4773 |
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| 48 | -2.5092 179.1892 175.3990 2.6166 1.9182 -.0162 |
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| 49 | -3.0526 288.5294 175.4964 2.0654 1.6969 -.1572 |
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| 50 | -2.2983 294.4453 289.0205 3.3579 2.1070 .6740 |
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| 51 | -0.7645 290.0922 74.9034 3.7601 1.7286 .2284 |
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| 52 | A 4 GLU-1 |
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| 53 | -2.4398 -65.7751 -44.6355 3.1554 2.6522 0.2408 |
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| 54 | -1.4282 -91.5809 -16.0618 1.2451 1.0941 0.5195 |
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| 55 | -0.8234 56.5454 24.9880 8.4935 2.5114 3.1626 |
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| 56 | -1.6808 -109.1020 134.1073 0.3417 1.1302 0.1147 |
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| 57 | A 7 GLU-2 |
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| 58 | -1.2682 58.4371 177.2074 2.2356 1.3588 .0475 |
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| 59 | -1.1374 180.7857 60.4622 1.8447 1.9712 -.2350 |
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| 60 | -2.4442 180.0231 174.3356 1.3448 1.4151 -.2778 |
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| 61 | -1.6581 294.5296 73.7029 2.3906 2.7758 -.1574 |
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| 62 | -3.0231 288.2340 175.3340 1.9522 1.3426 -.2083 |
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| 63 | -2.3648 288.7107 289.9839 2.5531 2.0226 .8598 |
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| 64 | -1.2228 59.3606 272.2567 7.4554 7.4183 -6.0026 |
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| 65 | A 5 GLY-1 |
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| 66 | -1.4174 -173.7151 -187.3632 .2629 .9426 .2237 |
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| 67 | -1.5760 76.2937 -173.8213 2.5476 .8942 1.2139 |
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| 68 | -2.3566 -73.6677 -29.9197 3.0479 1.7548 1.7895 |
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| 69 | -2.8754 79.7700 4.4814 1.9800 1.1052 .9669 |
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| 70 | -1.5014 -84.8915 -190.3021 2.9968 1.0326 1.2455 |
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| 71 | A 5 HIS-1 |
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| 72 | -3.2646 -65.6716 -49.1506 6.5954 9.0099 3.8483 |
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| 73 | -1.8854 -82.7932 -17.5837 2.4875 2.4837 1.3843 |
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| 74 | -1.4989 49.4627 36.5948 11.4682 3.9226 4.3602 |
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| 75 | -1.3168 -106.2108 136.9847 0.3126 1.1207 0.2144 |
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| 76 | -0.6631 -127.6123 57.9136 2.6530 0.1544 0.4699 |
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| 77 | A 7 HIS-2 |
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| 78 | -1.2532 60.0633 89.6747 13.2583 1.6046 -2.2415 |
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| 79 | -1.4302 61.0147 273.8311 2.7103 2.1622 .9093 |
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| 80 | -2.7238 176.9330 65.2416 4.5256 1.9446 .3711 |
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| 81 | -2.2691 182.5549 269.5283 4.5022 2.4187 -1.5823 |
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| 82 | -2.1876 291.8403 92.2138 3.5301 .9091 -.4035 |
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| 83 | -2.0402 285.6636 168.5872 9.0825 1.6965 -.5811 |
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| 84 | -3.0177 291.3150 279.0427 3.0231 .9671 -.3056 |
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| 85 | A 3 ILE-1 |
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| 86 | -3.0509 -67.4078 -44.2549 4.2299 2.1691 1.0163 |
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| 87 | -0.8508 -105.7576 -19.9464 1.9266 0.4794 0.0736 |
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| 88 | -2.4492 -113.8598 127.7489 0.6197 1.0466 0.2064 |
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| 89 | A 5 ILE-2 |
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| 90 | -2.4504 58.7505 166.0768 5.0080 2.6079 -.0762 |
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| 91 | -1.8820 184.2362 160.6386 3.7262 3.6810 -1.2541 |
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| 92 | -3.0544 291.9117 164.2811 2.9336 1.0814 -.3156 |
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| 93 | -2.1673 297.5129 296.3706 3.9487 2.2233 .5593 |
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| 94 | -1.1954 190.3998 63.4938 15.5833 3.3048 .1755 |
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| 95 | A 4 LEU-1 |
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| 96 | -2.8148 -66.0372 -43.8011 5.2914 2.5767 1.6475 |
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| 97 | -1.3771 -97.1164 -17.1449 1.5607 0.6538 0.3820 |
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| 98 | -0.7720 56.1351 22.2136 26.3039 11.1549 16.2126 |
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| 99 | -2.1764 -105.0836 131.6675 0.4387 0.8103 0.0303 |
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| 100 | A 5 LEU-2 |
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| 101 | -2.7279 178.5320 60.9883 1.8454 2.2771 .7238 |
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| 102 | -3.2537 290.2080 172.1234 1.6619 1.6295 -.0113 |
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| 103 | -1.4385 258.7921 30.1255 2.3534 .7236 -.6597 |
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| 104 | -1.2675 186.4305 153.6947 5.1094 2.7473 -1.1302 |
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| 105 | -1.1014 210.7356 210.6804 3.2260 3.0828 2.0051 |
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| 106 | A 4 LYS-1 |
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| 107 | -2.1101 -63.7182 -45.0053 4.2861 3.2537 1.1152 |
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| 108 | -1.6965 -91.1832 -19.5342 1.1062 0.9614 0.5895 |
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| 109 | -1.3115 54.6552 32.0992 10.1381 3.0400 4.0435 |
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| 110 | -1.9499 -111.6568 134.4137 0.3478 0.8820 0.0904 |
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| 111 | A 4 MET-1 |
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| 112 | -2.4015 -66.3611 -44.6509 7.6075 4.2247 0.5679 |
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| 113 | -1.1789 -86.6403 -23.3370 2.2505 1.4930 1.3253 |
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| 114 | -0.9425 46.1900 31.9789 26.2535 14.4297 17.5288 |
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| 115 | -1.4475 -115.4015 135.3613 0.4369 1.2820 0.2724 |
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| 116 | A 6 MET-2 |
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| 117 | -1.2838 63.0055 178.1833 4.6002 2.3474 -1.1140 |
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| 118 | -1.6869 179.6622 66.5714 10.5479 5.3053 -4.1238 |
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| 119 | -2.2742 179.2227 175.3365 2.7837 2.4433 -.1014 |
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| 120 | -2.9763 287.1454 175.3048 2.7254 1.9160 -.3739 |
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| 121 | -2.9060 292.3604 292.2244 4.3694 2.4954 .0134 |
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| 122 | -0.3408 179.9044 271.6268 3.4738 4.1178 1.5228 |
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| 123 | A 5 PHE-1 |
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| 124 | -3.0730 -65.6358 -47.0749 4.3751 3.1125 1.5311 |
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| 125 | -1.5348 -102.6981 -6.3476 1.4243 1.2072 0.5219 |
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| 126 | -1.4213 56.2746 28.7083 36.3777 6.6787 -5.8181 |
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| 127 | -1.7050 -104.1217 140.9451 0.4306 1.8030 0.4332 |
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| 128 | -1.1586 -130.0141 115.8190 1.1107 0.6055 0.5038 |
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| 129 | A 3 PRO-1 |
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| 130 | -3.400 -70.206 142.329 3.052 1.642 1.129 |
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| 131 | -3.257 -66.392 -30.876 4.461 2.517 2.355 |
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| 132 | -1.263 -82.102 63.680 18.498 .899 -.645 |
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| 133 | A 5 SER-1 |
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| 134 | -2.2475 -66.0060 -39.5955 4.3043 2.0441 0.9534 |
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| 135 | -1.7365 -94.2092 -13.3861 1.0002 0.9304 0.5225 |
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| 136 | -1.1104 52.0590 40.2039 9.3939 2.8720 3.2485 |
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| 137 | -2.1351 -137.3069 142.8881 0.9433 0.7449 0.2917 |
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| 138 | -2.2606 -77.0037 143.6677 1.6778 1.2097 0.3321 |
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| 139 | A 3 THR-1 |
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| 140 | -2.7312 -68.2118 -41.7694 4.3062 2.0992 1.3920 |
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| 141 | -1.9115 -108.2769 -10.9495 1.2953 0.8213 0.3476 |
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| 142 | -2.3288 -113.7073 140.7076 0.4141 0.6350 0.0899 |
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| 143 | A 3 TRP-1 |
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| 144 | -2.7510 -65.5433 -43.3057 4.3338 2.9774 0.9308 |
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| 145 | -0.7123 -102.4135 -3.7497 1.3054 0.8398 0.4652 |
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| 146 | -1.2680 -110.6567 136.1165 0.4055 1.1328 0.3142 |
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| 147 | A 7 TRP-2 |
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| 148 | -1.4679 52.6716 85.7085 4.3252 9.4629 -2.1411 |
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| 149 | -2.6661 60.7732 265.5716 8.0046 11.8594 6.4290 |
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| 150 | -2.6049 175.8918 79.1728 12.1454 2.8377 -3.1540 |
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| 151 | -1.9394 174.9878 251.6149 3.5879 2.4635 -.9564 |
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| 152 | -2.8132 289.1704 96.3188 3.6189 1.4260 -.3046 |
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| 153 | -1.7843 283.2764 264.3329 11.7701 3.7379 -1.7665 |
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| 154 | -1.4127 288.7216 348.8340 6.2966 1.8421 1.1366 |
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| 155 | A 4 TYR-1 |
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| 156 | -2.9258 -65.6222 -44.4791 4.8032 2.5512 1.1907 |
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| 157 | -1.4715 -104.3789 -9.4430 1.5345 0.6870 0.5023 |
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| 158 | -0.8389 60.1115 20.0260 19.3499 3.4918 7.0650 |
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| 159 | -2.2550 -116.5635 136.0877 0.3841 0.9624 0.1715 |
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| 160 | A 4 VAL-1 |
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| 161 | -2.9694 -68.4189 -43.1174 3.4190 1.9315 0.8332 |
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| 162 | -1.0533 -112.0399 -20.9320 1.9576 0.6125 0.3167 |
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| 163 | -1.9411 -86.2759 126.6324 1.2688 1.3845 -0.3260 |
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| 164 | -2.4649 -131.1387 136.4286 1.6998 0.8333 0.3004 |
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| 165 | S ALA-1 ALA .3 C- N CA C N+ |
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| 166 | S ARG-1 ARG .3 C- N CA C N+ |
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| 167 | S ASN-1 ASN .3 C- N CA C N+ |
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| 168 | S ASP-1 ASP .3 C- N CA C N+ |
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| 169 | S CYS-1 CYS .3 C- N CA C N+ |
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| 170 | S GLN-1 GLN .3 C- N CA C N+ |
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| 171 | S GLU-1 GLU .3 C- N CA C N+ |
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| 172 | S GLY-1 GLY .3 C- N CA C N+ |
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| 173 | S HIS-1 HIS .3 C- N CA C N+ |
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| 174 | S ILE-1 ILE .3 C- N CA C N+ |
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| 175 | S LEU-1 LEU .3 C- N CA C N+ |
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| 176 | S LYS-1 LYS .3 C- N CA C N+ |
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| 177 | S MET-1 MET .3 C- N CA C N+ |
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| 178 | S PHE-1 PHE .3 C- N CA C N+ |
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| 179 | S PRO-1 PRO .3 C- N CA C N+ |
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| 180 | S SER-1 SER .3 C- N CA C N+ |
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| 181 | S THR-1 THR .3 C- N CA C N+ |
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| 182 | S TRP-1 TRP .3 C- N CA C N+ |
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| 183 | S TYR-1 TYR .3 C- N CA C N+ |
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| 184 | S VAL-1 VAL .3 C- N CA C N+ |
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| 185 | S ASN-2 ASN .5 N CA CB CG OD1 |
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| 186 | S ASP-2 ASP .5 N CA CB CG OD1 |
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| 187 | S GLN-2 GLN .5 N CA CB CG CD |
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| 188 | S GLU-2 GLU .5 N CA CB CG CD |
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| 189 | S HIS-2 HIS .5 N CA CB CG ND1 |
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| 190 | S ILE-2 ILE .5 N CA CB CG1 CD1 |
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| 191 | S LEU-2 LEU .5 N CA CB CG CD1 |
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| 192 | S MET-2 MET .5 N CA CB CG SD |
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| 193 | S TRP-2 TRP .5 N CA CB CG CD1 |
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