NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6532 8.1633 120.2905 54.9568 34.4813 175.0176 2 I 4.6767 7.4070 114.9531 56.4006 41.0334 169.8508 3 V 2.8171 8.5776 121.6015 62.7861 32.2364 173.8182 4 P 4.3339 0.0000 0.0000 62.3398 32.1083 176.3827 5 V 3.7744 8.5542 122.2592 65.9071 31.9579 175.6871 6 R 5.7032 7.5434 116.5157 52.9454 33.7623 174.8589 7 C 3.8221 8.4249 122.1834 59.5819 32.0186 174.0784 8 F 4.4988 8.5100 125.5145 61.0520 38.6519 176.8541 9 S 4.5393 8.0675 114.1368 60.0924 63.1606 174.6296 10 C 4.6120 7.9760 110.9486 56.9544 31.2884 174.9833 11 G 3.9247 8.3873 107.8142 44.6660 0.0000 173.3691 12 K 3.8204 7.8530 120.7913 56.1419 32.6038 176.0801 13 V 4.0532 8.2944 125.6270 63.1923 32.0299 175.6215 14 V 4.3252 9.2158 125.7124 62.6209 33.1236 176.9237 15 G 3.7920 8.1145 106.6581 46.9458 0.0000 173.4609 16 D 4.7814 7.9513 118.0695 53.3738 40.2198 177.4570 17 K 4.4373 7.9959 119.5787 56.9008 32.7868 178.1489 18 W 4.3812 8.1640 129.2598 60.5391 30.7260 177.5654 19 E 3.8558 8.2378 118.1415 59.4288 28.9730 179.3627 20 S 4.0669 7.9757 114.7716 61.7008 62.8850 175.8461 21 Y 4.0829 8.1307 122.2806 60.5135 38.2940 178.2129 22 L 3.3838 7.4079 119.7701 57.6716 41.7700 178.9508 23 N 4.1739 7.9768 116.3626 56.5982 38.4973 177.3784 24 L 3.9479 8.3812 120.2800 57.7717 41.4969 179.7042 25 L 3.9819 7.4736 118.7913 57.1361 41.2822 178.6432 26 Q 4.1275 7.5382 117.6540 57.2076 29.8762 176.4301 27 E 4.4198 7.8011 117.5818 57.4865 30.9921 176.9335 28 D 4.3880 8.0198 116.4704 54.5414 41.8772 175.6945 29 E 4.0203 7.8368 116.8799 56.2812 26.7172 173.5465 30 L 4.5990 7.4098 116.8810 53.1065 44.4778 177.2759 31 D 4.7152 8.0980 120.2594 52.9081 42.0045 177.2980 32 E 4.3550 8.6574 119.4478 59.2842 29.5299 179.8246 33 G 3.6345 8.0487 105.4694 48.1900 0.0000 175.8516 34 T 3.9358 7.8222 116.9770 65.9478 68.1351 176.5096 35 A 4.0408 8.4545 123.2485 55.6800 18.3987 179.8053 36 L 3.9841 8.2177 116.9180 57.9388 41.6629 180.0576 37 S 4.1216 8.1315 115.2422 61.5773 62.6039 176.6094 38 R 4.2310 8.2770 120.4019 58.6515 29.7857 177.3979 39 L 4.5338 7.3441 116.3582 53.9565 41.9032 176.9164 40 G 3.8972 8.2203 107.2347 46.3839 0.0000 175.4586 41 L 4.3716 7.5185 121.7669 52.9832 40.1476 176.8705 42 K 4.1016 8.0026 121.2496 59.6748 33.6177 179.7587 43 R 3.9273 7.7652 120.3178 55.2763 31.5938 177.3065 44 Y 4.3269 8.0813 122.1162 59.4970 37.8156 178.2052 45 C 4.1489 7.6018 115.9825 61.8406 29.8325 175.2651 46 C 4.2129 7.9336 119.2675 62.0403 27.6582 175.9478 47 R 3.8595 7.9635 119.7328 59.5213 29.7964 178.7242 48 R 3.8654 7.8950 117.9643 59.8877 29.6505 177.9411 49 M 3.8520 7.4301 116.7849 58.7075 32.4126 177.7796 50 I 4.0847 7.4805 118.8841 63.6488 37.5367 177.8299 51 L 4.0737 8.0932 120.8440 57.2279 41.9564 177.4861 52 T 4.5404 7.3700 105.4980 61.1437 69.4886 173.8933 53 H 4.1844 7.7374 122.7490 56.2809 30.3308 174.6542 54 V 4.1303 7.5451 124.4311 61.2910 33.5976 175.8651 55 D 4.5901 8.1580 130.7207 52.9464 39.6610 176.7274 56 L 3.8200 7.3289 122.2039 56.8059 41.9896 178.4575 57 I 3.4872 7.5198 119.1816 64.2705 37.5627 177.5215 58 E 3.9479 7.6936 117.8036 58.7650 29.3812 179.1157 59 K 4.0814 7.7307 118.7872 58.9836 32.5760 179.0212 60 F 4.8356 7.5998 117.3990 60.9100 38.9794 177.1060 61 L 4.3205 8.1700 118.5193 56.5250 41.3732 177.7384 62 R 4.3025 7.9248 117.2349 56.2510 30.5680 176.1452 63 Y 4.4317 7.5042 116.5245 57.0376 38.8512 174.8639 64 N 4.4006 9.2593 123.1821 56.4594 39.1517 172.8778 65 P 4.4857 0.0000 0.0000 63.0889 31.3961 175.9445 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 8.16 4.65 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.40 2.89 0.00 2 I 7.41 4.68 1.81 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 1.29 1.16 0.81 0.00 0.00 3 V 8.58 2.82 1.93 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 0.69 0.00 0.00 0.66 0.00 0.00 4 P 0.00 4.33 0.00 1.76 1.86 0.00 3.45 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.99 0.00 5 V 8.55 3.77 2.07 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 0.96 0.00 0.00 0.92 0.00 0.00 6 R 7.54 5.70 0.00 1.68 1.86 0.00 3.53 0.00 0.00 3.80 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.37 0.00 7 C 8.42 3.82 0.00 2.89 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 8 F 8.51 4.50 0.00 3.10 3.02 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 0.00 0.00 0.00 9 S 8.07 4.54 0.00 3.88 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 10 C 7.98 4.61 0.00 2.98 2.93 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 11 G 8.39 3.92 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 K 7.85 3.82 0.00 1.76 1.66 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.42 7.81 13 V 8.29 4.05 2.07 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 0.88 0.00 0.00 0.92 0.00 0.00 14 V 9.22 4.33 1.98 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 0.85 0.00 0.00 0.86 0.00 0.00 15 G 8.11 3.79 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 16 D 7.95 4.78 0.00 2.81 2.79 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 17 K 8.00 4.44 0.00 2.02 1.92 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.41 1.44 7.81 18 W 8.16 4.38 0.00 3.40 3.14 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 8.24 3.86 0.00 2.04 1.98 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 2.51 2.45 0.00 20 S 7.98 4.07 0.00 3.89 3.91 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 21 Y 8.13 4.08 0.00 3.00 2.96 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 L 7.41 3.38 0.00 1.57 1.40 0.71 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.98 4.17 0.00 2.84 2.81 0.00 0.00 7.11 6.28 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 8.38 3.95 0.00 1.67 1.66 0.99 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.47 3.98 0.00 1.50 1.47 0.50 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.54 4.13 0.00 1.86 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 27 E 7.80 4.42 0.00 2.06 1.92 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 2.21 2.26 0.00 28 D 8.02 4.39 0.00 2.77 2.68 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 E 7.84 4.02 0.00 2.05 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 2.18 2.38 0.00 30 L 7.41 4.60 0.00 1.68 1.56 0.91 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.10 4.72 0.00 2.88 2.80 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 E 8.66 4.36 0.00 2.17 2.24 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 2.52 2.48 0.00 33 G 8.05 3.63 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 34 T 7.82 3.94 4.34 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 1.22 0.00 0.00 35 A 8.45 4.04 1.55 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 36 L 8.22 3.98 0.00 1.73 1.70 0.94 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.13 4.12 0.00 3.91 3.92 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 R 8.28 4.23 0.00 1.88 2.07 0.00 3.25 0.00 0.00 3.22 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 39 L 7.34 4.53 0.00 1.82 1.69 1.06 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.22 3.90 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 41 L 7.52 4.37 0.00 1.76 1.61 0.83 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.00 4.10 0.00 1.85 1.93 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.43 7.81 43 R 7.77 3.93 0.00 1.77 1.69 0.00 3.02 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 44 Y 8.08 4.33 0.00 3.22 3.27 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 45 C 7.60 4.15 0.00 3.14 3.04 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 46 C 7.93 4.21 0.00 3.07 2.97 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 47 R 7.96 3.86 0.00 1.93 2.01 0.00 3.32 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.86 0.00 48 R 7.90 3.87 0.00 1.98 2.30 0.00 3.22 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 49 M 7.43 3.85 0.00 1.82 1.98 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 50 I 7.48 4.08 1.60 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.70 0.37 0.00 0.00 51 L 8.09 4.07 0.00 1.66 1.79 1.02 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.37 4.54 4.28 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 1.28 0.00 0.00 53 H 7.74 4.18 0.00 3.11 3.04 0.00 5.69 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.55 4.13 1.99 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 0.81 0.00 0.00 0.95 0.00 0.00 55 D 8.16 4.59 0.00 2.79 2.64 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 L 7.33 3.82 0.00 1.39 0.92 0.99 0.60 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 57 I 7.52 3.49 1.97 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 1.00 0.00 0.00 58 E 7.69 3.95 0.00 2.08 1.98 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 2.50 2.57 0.00 59 K 7.73 4.08 0.00 1.61 1.80 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.24 1.48 7.81 60 F 7.60 4.84 0.00 3.24 3.10 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 61 L 8.17 4.32 0.00 1.66 1.76 0.96 0.96 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 62 R 7.92 4.30 0.00 1.62 1.77 0.00 3.10 0.00 0.00 3.13 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 63 Y 7.50 4.43 0.00 3.22 2.89 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 64 N 9.26 4.40 0.00 2.72 2.93 0.00 0.00 7.03 7.69 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 65 P 0.00 4.49 0.00 2.10 2.02 0.00 3.79 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00