NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.3812 8.3001 120.3279 55.3051 33.6373 174.1830 1 A 4.3992 8.6493 121.0064 51.3745 20.7779 175.3257 2 K 5.2715 9.1963 118.7726 54.4950 36.4963 173.8884 3 W 5.4359 9.4581 123.1061 54.9161 33.2035 174.5400 4 V 4.8360 8.8466 124.2887 60.1308 33.7398 174.6979 5 C 3.4796 8.9592 125.1199 58.7941 31.6214 174.2315 6 K 4.0728 8.7487 127.1049 58.9256 31.6863 179.1120 7 I 3.9270 7.8469 120.8067 63.7237 37.3521 176.4784 8 C 4.5821 8.1428 110.8911 57.4258 30.9823 174.7226 9 G 3.9408 8.2943 108.7559 44.9110 0.0000 173.0381 10 Y 4.2727 7.8874 121.2942 58.1112 40.0988 174.7691 11 I 4.7794 7.4796 126.3258 59.6203 39.1502 174.5727 12 Y 4.3074 9.3620 130.3678 57.2129 39.9528 173.6323 13 D 4.7363 7.9496 127.5477 52.4660 42.4289 176.4479 14 E 3.8636 8.9594 127.1533 59.6422 30.0138 179.6762 15 D 4.2339 8.3873 118.4783 56.5804 41.0790 177.2398 16 A 4.2288 7.8117 121.1427 51.7340 20.0705 179.2520 17 G 3.8713 7.7897 104.1474 46.1834 0.0000 174.6003 18 D 4.9898 8.6813 112.1685 52.8332 42.4941 174.9799 19 P 4.4813 0.0000 0.0000 65.7895 32.0932 179.1373 20 D 4.5373 8.2141 117.4069 56.2781 40.8741 176.4135 21 N 4.9062 8.4521 116.1042 52.9410 39.0743 175.2392 22 G 3.8941 8.4432 105.1227 45.4173 0.0000 173.9290 23 I 4.4007 7.5652 120.5335 58.8418 38.8645 175.4894 24 S 4.5743 8.4006 120.3734 56.9317 63.8342 171.9905 25 P 4.2035 0.0000 0.0000 64.6764 31.4330 176.9058 26 G 3.9024 9.0632 110.6094 45.5671 0.0000 173.2633 27 T 4.3549 7.2157 115.6947 62.0996 69.0570 175.2095 28 K 4.4037 8.8936 126.7335 56.0505 33.0601 177.9478 29 F 3.2202 9.4108 124.3179 61.4006 38.8126 177.6485 30 E 3.9057 8.0297 116.1100 58.5398 29.3928 177.9702 31 E 4.1587 7.6435 116.7420 55.7626 30.2929 176.7263 32 L 3.7285 6.3906 119.7977 53.4306 42.3964 175.3801 33 P 4.3112 0.0000 0.0000 62.6692 31.8762 177.3977 34 D 4.3229 8.6468 120.9734 56.9481 40.8528 177.1699 35 D 4.7402 7.8390 115.9195 52.3847 39.8584 176.2116 36 W 4.0851 7.9469 130.4687 57.8798 31.0726 175.3690 37 V 4.2859 6.7395 116.8016 58.6437 35.2141 174.8386 38 C 3.7263 8.5965 121.8688 59.2950 31.4807 172.9904 39 P 4.1229 0.0000 0.0000 64.7287 31.4308 177.4510 40 I 3.9822 7.3785 119.5842 63.2867 37.6056 176.3049 41 C 4.4660 7.9517 111.1841 57.3889 30.8452 174.7127 42 G 3.7503 8.1067 108.3391 45.2031 0.0000 173.6183 43 A 4.1046 7.6123 123.1003 51.0548 19.1794 176.1064 44 P 4.8245 0.0000 0.0000 62.0645 32.4938 177.3768 45 K 4.2102 8.9202 118.2150 59.7986 31.9955 179.5615 46 S 4.3495 8.3347 112.0298 60.9481 62.9487 174.6344 47 E 4.5563 8.8033 119.9164 56.2482 29.3635 175.0180 48 F 5.3702 8.3814 117.9927 56.0353 41.2710 175.1579 49 E 4.8451 9.0483 120.6761 54.2403 33.1471 175.2561 50 K 3.0786 8.0572 125.3253 56.0378 32.9366 177.0397 51 L 4.4260 8.2625 128.8495 53.4171 40.5866 175.6741 52 E 4.5810 7.9506 119.1417 55.0146 32.2349 175.6945 53 D 4.4366 8.4801 118.6919 53.6311 39.7976 176.2788 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 0 M 8.30 4.38 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.57 0.00 1 A 8.65 4.40 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.20 5.27 0.00 1.69 1.68 0.00 1.48 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.47 7.81 3 W 9.46 5.44 0.00 3.34 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.85 4.84 2.10 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 0.79 0.00 0.00 0.93 0.00 0.00 5 C 8.96 3.48 0.00 2.50 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 6 K 8.75 4.07 0.00 1.75 1.83 0.00 1.75 0.00 0.00 1.88 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.50 7.81 7 I 7.85 3.93 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.73 0.90 0.00 0.00 8 C 8.14 4.58 0.00 3.06 3.01 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 0.00 0.00 0.00 9 G 8.29 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 10 Y 7.89 4.27 0.00 3.19 2.99 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 0.00 0.00 0.00 0.00 11 I 7.48 4.78 1.70 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.97 0.88 0.00 0.00 12 Y 9.36 4.31 0.00 3.62 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 7.95 4.74 0.00 2.62 2.34 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 14 E 8.96 3.86 0.00 2.10 2.06 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 2.80 2.69 0.00 15 D 8.39 4.23 0.00 2.79 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.81 4.23 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.79 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.68 4.99 0.00 3.25 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.48 0.00 2.30 2.34 0.00 3.85 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.03 0.00 20 D 8.21 4.54 0.00 2.74 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 21 N 8.45 4.91 0.00 3.03 2.82 0.00 0.00 7.15 6.93 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 22 G 8.44 3.89 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 0.00 0.00 0.00 23 I 7.57 4.40 2.19 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.90 0.88 0.00 0.00 24 S 8.40 4.57 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.20 0.00 2.06 2.23 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.25 0.00 26 G 9.06 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 27 T 7.22 4.35 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 28 K 8.89 4.40 0.00 1.91 1.94 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.41 7.81 29 F 9.41 3.22 0.00 2.05 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 0.00 0.00 0.00 0.00 30 E 8.03 3.91 0.00 1.95 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 2.39 2.52 0.00 31 E 7.64 4.16 0.00 1.94 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 32 L 6.39 3.73 0.00 0.79 0.79 -1.71 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.31 0.00 2.32 1.94 0.00 3.40 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.07 0.00 34 D 8.65 4.32 0.00 2.63 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 7.84 4.74 0.00 2.75 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 36 W 7.95 4.09 0.00 3.08 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 37 V 6.74 4.29 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.63 0.00 0.00 38 C 8.60 3.73 0.00 3.21 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.12 0.00 2.00 1.97 0.00 3.09 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.80 0.00 40 I 7.38 3.98 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.95 0.92 0.00 0.00 41 C 7.95 4.47 0.00 3.02 2.99 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 0.00 0.00 0.00 0.00 42 G 8.11 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.61 4.10 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.82 0.00 2.32 2.25 0.00 3.78 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.03 0.00 45 K 8.92 4.21 0.00 1.88 2.00 0.00 1.43 0.00 0.00 1.65 0.00 0.00 2.37 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.13 1.65 7.81 46 S 8.33 4.35 0.00 4.07 4.11 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 0.00 0.00 0.00 0.00 47 E 8.80 4.56 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 48 F 8.38 5.37 0.00 3.17 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 9.05 4.85 0.00 1.89 1.74 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 2.25 2.26 0.00 50 K 8.06 3.08 0.00 0.79 0.97 0.00 1.15 0.00 0.00 1.60 0.00 0.00 2.61 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.75 0.21 7.81 51 L 8.26 4.43 0.00 1.50 1.53 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 52 E 7.95 4.58 0.00 1.91 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 53 D 8.48 4.44 0.00 2.75 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