NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.1163 8.2516 118.1417 55.4988 33.2806 173.6856 2 V 4.2060 8.8467 119.5950 61.0028 33.7863 172.7739 3 T 5.1482 8.8316 125.8657 61.9004 71.7801 172.6827 4 A 5.1543 8.6505 125.7823 50.5409 23.5996 174.7327 5 F 5.1780 9.0839 118.6316 55.7597 42.0095 174.5587 6 I 4.8526 9.0915 125.0793 59.5765 39.6182 174.5644 7 L 4.9210 8.7204 127.6539 53.6576 43.4804 175.6864 8 M 5.4886 9.3262 122.4659 53.5756 36.7998 174.3261 9 V 4.9879 8.7604 121.4978 61.3853 34.4362 174.6548 10 T 5.1692 9.0625 117.3268 59.2569 71.8145 173.5758 11 A 4.5748 9.0704 123.4356 50.9144 19.7305 177.2328 12 A 3.9405 8.5597 122.7241 53.7627 18.8279 178.1216 13 G 3.9598 8.9248 109.5774 46.2704 0.0000 174.1640 14 K 4.5941 7.7995 116.4392 54.7555 34.2215 178.0795 15 E 3.9424 8.2261 118.7588 59.5118 29.2463 179.0260 16 R 3.8780 7.8922 119.1336 59.0072 30.1391 177.7746 17 E 3.8944 8.1473 118.7616 59.3153 29.5446 178.9212 18 V 3.5742 8.0677 118.3868 66.2792 31.5695 177.7537 19 M 4.0269 8.1551 118.4638 58.7166 31.5723 178.7009 20 E 4.0152 8.2235 117.6951 59.0814 29.7398 179.3216 21 K 4.1509 7.7949 118.6505 59.4035 32.1813 179.4306 22 L 4.0356 8.2109 119.5103 57.9266 41.6371 178.9090 23 L 4.1826 8.2799 115.2380 55.7221 41.3391 177.2070 24 A 4.5798 7.6423 120.6690 51.9788 20.1021 176.6299 25 M 4.4805 7.8558 117.3506 53.2797 33.1835 175.6476 26 P 4.2350 0.0000 0.0000 65.8558 31.8720 177.6683 27 E 3.9877 7.8576 117.0100 58.7516 30.4939 177.3819 28 V 4.0854 7.3855 120.1857 62.7091 31.3536 176.1108 29 K 4.4683 9.2216 128.1764 57.8635 33.5381 176.7172 30 E 4.7662 7.7723 114.6666 55.4440 32.4222 174.4742 31 A 5.1928 7.9900 122.1791 51.0356 22.5293 175.0302 32 Y 4.8788 8.9264 117.8098 56.3551 42.9581 174.4888 33 V 4.5498 8.5574 122.1982 62.4358 32.6181 175.4509 34 V 4.7075 8.7400 120.0748 59.5658 35.5852 175.0479 35 Y 4.1221 8.6932 120.3175 57.9211 37.9686 175.1516 36 G 3.9325 8.7098 105.9694 44.3185 0.0000 173.7577 37 E 4.0289 8.5924 115.3528 58.3263 29.9423 176.3605 38 Y 4.7237 7.0315 113.8704 56.5067 40.0702 175.2815 39 D 4.7130 9.3450 123.5425 56.5294 42.4390 176.4960 40 L 5.3645 7.8871 115.8521 53.0015 46.8978 175.2879 41 I 5.0522 8.6949 120.8104 59.3189 41.3612 174.2654 42 V 4.9454 9.1341 128.7749 61.0148 34.9417 173.7347 43 K 4.4599 9.1712 129.6725 55.0038 33.6898 175.4840 44 V 4.9986 8.6176 120.4816 59.6398 35.8200 174.5183 45 E 5.2826 8.7560 121.4324 55.0343 33.2824 175.1232 46 T 4.5764 8.5737 113.0740 59.8417 72.6474 174.9930 47 D 4.2512 8.8141 122.3474 57.0087 41.3495 176.6108 48 T 4.9983 7.5643 108.1790 59.0107 73.0140 174.5865 49 L 3.9919 8.2980 122.2731 58.1834 42.2345 179.0093 50 K 3.9605 8.0316 118.1018 59.6206 31.9341 178.8587 51 D 4.4211 8.0439 118.7307 57.0153 40.6131 178.5678 52 L 4.0361 7.7565 120.5669 58.2620 42.2104 178.5614 53 D 4.3976 8.3614 119.0980 57.5218 40.7101 178.8632 54 Q 3.9212 8.0366 119.3586 59.0823 29.1722 177.5493 55 F 4.2043 8.5490 122.0386 61.7142 39.4384 177.2066 56 I 3.4903 8.2315 119.7265 64.4894 36.7210 178.6155 57 T 4.1474 7.7273 109.2806 63.8918 68.8090 175.9894 58 E 4.3105 8.2335 120.4964 58.2926 29.0732 178.0970 59 K 4.0534 8.0961 118.6827 59.3952 32.3545 179.2573 60 I 3.4153 6.8754 119.3777 64.4462 37.0218 178.6980 61 R 3.9625 8.4433 119.3537 58.6913 30.1246 178.0868 62 K 4.1902 7.1353 114.1058 56.6781 32.8008 176.5436 63 M 4.0649 7.8263 120.8683 54.8328 32.2859 174.9097 64 P 4.2550 0.0000 0.0000 65.9631 31.7532 177.2373 65 E 4.2328 8.1057 116.0133 57.9376 30.6129 176.6451 66 I 4.5294 7.7571 121.3367 60.7128 37.5957 175.7535 67 Q 4.5987 8.9597 125.4389 57.4805 31.0799 175.3486 68 M 4.8526 7.7765 113.8368 54.8107 34.3470 173.8868 69 T 5.3165 8.2719 108.7791 60.7411 72.3078 173.2178 70 S 4.4943 9.0008 117.6766 57.3666 65.5336 172.4792 71 T 4.9535 8.6122 124.2193 62.3986 70.3179 174.5394 72 M 4.5866 9.2266 126.6237 53.3912 33.7181 175.0151 73 I 4.2952 8.3250 124.7506 61.1429 37.9378 175.8686 74 A 4.5902 8.8393 129.1817 50.8180 20.2975 177.4870 75 I 3.9129 8.2124 119.6906 61.6814 37.3243 176.2479 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 8.25 5.12 0.00 2.01 2.26 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 2 V 8.85 4.21 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 0.93 0.00 0.00 0.94 0.00 0.00 3 T 8.83 5.15 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 4 A 8.65 5.15 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 F 9.08 5.18 0.00 3.02 2.94 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 6 I 9.09 4.85 1.91 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.78 0.92 0.00 0.00 7 L 8.72 4.92 0.00 0.93 0.13 0.40 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 8 M 9.33 5.49 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 9 V 8.76 4.99 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 1.04 0.00 0.00 0.96 0.00 0.00 10 T 9.06 5.17 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 1.23 0.00 0.00 11 A 9.07 4.57 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 12 A 8.56 3.94 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.92 3.96 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 0.00 0.00 0.00 14 K 7.80 4.59 0.00 1.88 1.77 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.47 7.81 15 E 8.23 3.94 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 16 R 7.89 3.88 0.00 1.89 1.95 0.00 3.18 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 17 E 8.15 3.89 0.00 2.07 2.14 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 2.53 2.37 0.00 18 V 8.07 3.57 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.97 0.00 0.00 19 M 8.16 4.03 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.85 0.00 20 E 8.22 4.02 0.00 2.07 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 2.34 2.66 0.00 21 K 7.79 4.15 0.00 1.94 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.65 7.81 22 L 8.21 4.04 0.00 1.85 1.75 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.28 4.18 0.00 1.65 1.68 0.87 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.64 4.58 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 25 M 7.86 4.48 0.00 2.37 2.20 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.60 0.00 26 P 0.00 4.24 0.00 1.96 2.07 0.00 3.67 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 27 E 7.86 3.99 0.00 1.16 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.98 0.00 28 V 7.39 4.09 2.19 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 0.71 0.00 0.00 1.05 0.00 0.00 29 K 9.22 4.47 0.00 1.54 1.78 0.00 1.89 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.56 7.81 30 E 7.77 4.77 0.00 1.91 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 2.28 2.45 0.00 31 A 7.99 5.19 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.93 4.88 0.00 2.90 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.56 4.55 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 0.83 0.00 0.00 0.95 0.00 0.00 34 V 8.74 4.71 2.18 0.00 0.00 0.00 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 1.12 0.00 0.00 35 Y 8.69 4.12 0.00 2.97 2.94 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 36 G 8.71 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 0.00 0.00 0.00 37 E 8.59 4.03 0.00 1.87 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 2.07 1.47 0.00 38 Y 7.03 4.72 0.00 3.05 2.92 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 39 D 9.35 4.71 0.00 2.71 2.91 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 40 L 7.89 5.36 0.00 1.59 1.68 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.69 5.05 1.93 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 1.34 1.56 1.08 0.00 0.00 42 V 9.13 4.95 2.14 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 0.96 0.00 0.00 0.98 0.00 0.00 43 K 9.17 4.46 0.00 1.62 1.52 0.00 1.75 0.00 0.00 1.52 0.00 0.00 2.84 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.95 0.22 7.81 44 V 8.62 5.00 1.87 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 0.91 0.00 0.00 0.94 0.00 0.00 45 E 8.76 5.28 0.00 1.66 1.69 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 0.00 2.13 2.10 0.00 46 T 8.57 4.58 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 47 D 8.81 4.25 0.00 2.89 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 7.56 5.00 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 1.20 0.00 0.00 49 L 8.30 3.99 0.00 1.78 1.71 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.03 3.96 0.00 1.81 1.85 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.48 7.81 51 D 8.04 4.42 0.00 2.83 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 52 L 7.76 4.04 0.00 1.78 1.89 1.01 1.43 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 53 D 8.36 4.40 0.00 2.95 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.04 3.92 0.00 2.19 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 55 F 8.55 4.20 0.00 3.17 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 56 I 8.23 3.49 1.98 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.61 0.88 0.00 0.00 57 T 7.73 4.15 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 58 E 8.23 4.31 0.00 1.99 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 2.44 2.48 0.00 59 K 8.10 4.05 0.00 1.16 1.52 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.80 7.81 60 I 6.88 3.42 1.80 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.79 0.82 0.00 0.00 61 R 8.44 3.96 0.00 1.91 1.97 0.00 3.14 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 62 K 7.14 4.19 0.00 1.88 1.81 0.00 1.57 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.38 7.81 63 M 7.83 4.06 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.75 0.00 64 P 0.00 4.25 0.00 2.07 2.11 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 65 E 8.11 4.23 0.00 1.97 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 2.47 2.40 0.00 66 I 7.76 4.53 1.98 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 1.23 0.49 0.94 0.00 0.00 67 Q 8.96 4.60 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.61 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 68 M 7.78 4.85 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.60 0.00 69 T 8.27 5.32 4.25 0.00 0.00 0.00 0.00 0.00 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 70 S 9.00 4.49 0.00 3.96 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.61 4.95 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 1.30 0.00 0.00 72 M 9.23 4.59 0.00 1.93 2.09 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 73 I 8.32 4.30 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 1.30 0.50 0.93 0.00 0.00 74 A 8.84 4.59 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 75 I 8.21 3.91 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 1.29 0.46 0.92 0.00 0.00