NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3456 8.3044 118.1916 55.0468 32.7468 174.7536 2 L 4.3443 8.1247 122.2653 52.6961 44.9352 172.8179 3 L 5.2490 9.2815 129.3455 53.1602 45.3241 174.8463 4 L 4.8680 9.1391 125.8469 52.9614 44.9130 175.5057 5 R 4.9411 8.4286 121.6907 54.8311 32.8200 174.1306 6 I 4.4580 8.8971 128.3292 60.3346 39.2066 174.9029 7 T 5.3539 8.6163 123.3241 62.0101 70.7146 173.3462 8 M 4.7054 9.0267 122.8998 53.2470 35.2775 174.0329 9 L 4.5605 7.9588 122.7473 54.9479 42.8538 176.4943 10 E 4.6348 8.2338 124.7772 55.8721 30.3741 176.6281 11 G 3.9770 8.9084 106.3150 45.6286 0.0000 174.5320 12 R 4.3415 7.6287 118.4790 55.0923 31.5324 176.7528 13 S 4.4689 8.1949 114.8889 58.1915 65.4772 175.4834 14 T 3.8765 8.3663 113.6101 64.7500 68.4938 176.6477 15 E 3.9469 8.0635 121.4305 59.3296 29.6257 178.6996 16 Q 4.0051 8.2697 118.3303 59.1263 28.8189 179.3671 17 K 3.9577 8.2802 119.1647 59.4378 32.1728 179.3710 18 A 4.0291 8.0665 121.1235 54.9832 18.1785 179.2399 19 E 3.9927 8.2742 117.8826 59.0258 29.6720 178.9596 20 L 3.9800 8.1829 119.2877 57.5334 41.6456 179.2205 21 A 3.9943 8.0054 120.8633 54.9775 18.3003 179.7596 22 R 3.7562 7.9390 116.7361 59.6550 30.2686 178.6658 23 A 4.0144 8.2719 120.9339 55.1420 18.2738 179.6443 24 L 3.9997 8.1714 117.6198 57.7825 41.6248 179.8482 25 S 4.1207 8.1457 115.0077 61.6100 62.8520 176.5787 26 A 3.9670 8.0300 123.2050 55.1277 18.0808 179.5063 27 A 3.9167 8.2413 119.1289 55.2111 18.3697 179.8064 28 A 3.9715 8.4687 119.4201 55.0260 18.5727 179.4432 29 A 4.0525 8.2873 119.3660 55.4532 18.2492 179.7608 30 A 3.8485 8.0433 118.5900 55.3034 18.3031 179.6996 31 A 3.7300 7.7151 117.8335 54.7187 18.4732 178.9671 32 F 4.6613 7.7224 112.6613 56.1385 40.4157 175.6017 33 D 4.4589 7.7086 117.5935 55.9241 38.5166 173.8546 34 V 4.5656 7.6182 109.9735 58.4391 35.5336 174.9129 35 P 4.3072 0.0000 0.0000 62.6284 32.0219 177.0906 36 L 3.8625 8.8942 124.1884 58.2849 42.0418 178.9798 37 A 4.0682 8.0225 119.7414 54.9164 18.3297 177.7661 38 E 4.2237 8.1401 113.5143 57.1259 29.9868 176.5032 39 V 4.1749 7.6461 120.5779 62.4426 32.1625 175.4504 40 R 4.7119 8.6033 127.1218 54.7487 32.5792 175.2867 41 L 5.2516 8.2966 123.2324 53.6346 45.1928 175.1592 42 I 4.5796 8.9149 127.2366 59.6256 39.8167 174.4901 43 I 4.9132 8.3589 126.6571 59.5483 39.7091 174.7818 44 Q 4.5155 8.9822 127.0816 54.5197 31.8718 173.7439 45 E 5.2668 8.8507 125.4939 54.9081 32.6998 175.0748 46 V 4.5895 8.5015 121.2368 60.5111 35.2961 173.5654 47 P 4.6928 0.0000 0.0000 61.4396 32.2000 175.4896 48 P 4.2730 0.0000 0.0000 66.2607 30.9931 178.3409 49 T 4.1946 7.9449 106.9510 63.5760 68.9199 174.3786 50 H 4.8706 8.4811 118.5979 55.0226 29.5435 173.3833 51 W 4.7167 8.1282 129.5940 55.6008 32.4226 174.3207 52 T 5.2264 8.1336 115.0980 59.8049 71.3343 173.4295 53 V 4.3086 8.1585 121.9259 62.4369 34.4310 175.5776 54 G 4.1040 10.0842 114.4986 46.4649 0.0000 174.3944 55 G 3.9370 8.6885 107.7646 44.4615 0.0000 173.8624 56 I 4.4732 7.5781 120.5988 58.4563 40.4144 175.1573 57 S 4.8761 8.5141 121.7088 58.5525 63.4678 175.1813 58 M 4.1243 8.6982 121.3175 58.3395 31.7963 178.2342 59 A 4.0313 7.3931 120.9098 54.4964 18.5642 177.5675 60 E 4.2743 7.8229 115.5382 55.9409 28.1872 176.9174 61 L 4.0753 8.0232 122.9085 56.1988 39.8461 175.0825 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.35 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 2 L 8.12 4.34 0.00 1.80 1.54 0.77 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 3 L 9.28 5.25 0.00 1.63 1.46 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 4 L 9.14 4.87 0.00 1.63 1.55 0.96 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.43 4.94 0.00 1.77 1.79 0.00 3.24 0.00 0.00 3.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 6 I 8.90 4.46 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.84 0.94 0.00 0.00 7 T 8.62 5.35 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 8 M 9.03 4.71 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 9 L 7.96 4.56 0.00 1.27 1.41 0.96 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.23 4.63 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.09 0.00 11 G 8.91 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 7.63 4.34 0.00 1.78 1.84 0.00 3.33 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 13 S 8.19 4.47 0.00 4.19 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.37 3.88 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 15 E 8.06 3.95 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 16 Q 8.27 4.01 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 17 K 8.28 3.96 0.00 1.79 1.85 0.00 1.66 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.44 7.81 18 A 8.07 4.03 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.27 3.99 0.00 2.17 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 20 L 8.18 3.98 0.00 1.88 1.70 0.91 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.01 3.99 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.94 3.76 0.00 2.09 2.08 0.00 3.10 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 23 A 8.27 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.17 4.00 0.00 1.78 1.76 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.15 4.12 0.00 3.92 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.03 3.97 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.24 3.92 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.47 3.97 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.29 4.05 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.04 3.85 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.72 3.73 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 7.72 4.66 0.00 3.16 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 7.71 4.46 0.00 2.82 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.62 4.57 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.98 0.00 0.00 35 P 0.00 4.31 0.00 2.18 1.99 0.00 3.64 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.09 0.00 36 L 8.89 3.86 0.00 1.73 1.70 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.02 4.07 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.14 4.22 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 39 V 7.65 4.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.02 0.00 0.00 40 R 8.60 4.71 0.00 1.88 1.81 0.00 3.17 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 41 L 8.30 5.25 0.00 1.60 1.49 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.91 4.58 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.50 0.92 0.00 0.00 43 I 8.36 4.91 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.59 0.92 0.00 0.00 44 Q 8.98 4.52 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 45 E 8.85 5.27 0.00 1.96 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 46 V 8.50 4.59 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 1.07 0.00 0.00 47 P 0.00 4.69 0.00 2.09 1.89 0.00 3.62 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.00 0.00 48 P 0.00 4.27 0.00 2.23 2.33 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 49 T 7.94 4.19 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 50 H 8.48 4.87 0.00 3.34 3.38 0.00 5.61 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 W 8.13 4.72 0.00 3.44 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.13 5.23 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 53 V 8.16 4.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.16 0.00 0.00 54 G 10.08 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.69 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.58 4.47 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.37 0.98 0.00 0.00 57 S 8.51 4.88 0.00 4.27 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 M 8.70 4.12 0.00 2.05 2.37 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 3.02 0.00 59 A 7.39 4.03 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.82 4.27 0.00 2.20 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 61 L 8.02 4.08 0.00 1.70 1.57 0.98 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00