NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6761 8.3044 120.6105 55.4912 33.8570 173.9538 2 V 4.2127 8.7710 125.6323 61.0382 33.8704 172.7668 3 T 5.1325 8.8416 125.9818 61.9091 71.8531 172.6927 4 A 5.1415 8.7329 125.8478 50.6016 23.6252 174.7338 5 F 5.1143 9.3114 118.5593 55.7371 42.0589 174.5320 6 I 4.7963 9.1986 125.1807 59.6328 39.4212 174.5581 7 L 4.7598 8.6032 127.7638 53.6231 43.1335 175.6171 8 M 5.3054 9.3100 123.6287 53.4534 36.1698 174.6591 9 V 4.8789 8.9371 122.8155 61.4420 33.7938 174.6434 10 T 5.1477 9.0569 117.8445 59.1806 72.1219 173.7865 11 A 4.5383 9.1206 124.4218 51.2521 19.4109 177.2193 12 A 3.9769 8.7236 124.5573 54.0757 18.7472 178.1933 13 G 3.9602 8.7045 108.7006 46.2936 0.0000 174.8437 14 K 4.4860 7.7615 117.6234 55.6851 33.0243 177.5065 15 E 3.9930 8.2045 120.1375 59.7344 29.4097 179.3834 16 R 3.9102 7.9203 117.3154 59.3119 30.2101 178.8877 17 E 4.0287 8.1357 116.8766 59.2398 29.5006 179.2180 18 V 3.5788 7.9611 119.4364 65.9897 31.6451 177.5745 19 M 4.0025 8.0186 118.0024 58.8855 31.8384 178.1084 20 E 4.1838 8.0202 117.5384 59.1634 29.7050 179.2377 21 K 4.1575 7.7701 118.9727 59.2230 32.1266 179.4043 22 L 4.0198 8.1525 119.4115 57.9392 41.4362 179.5605 23 L 4.2256 8.2703 117.2784 57.4009 41.5648 178.8726 24 A 4.2207 7.4990 119.1777 52.8877 19.1831 177.3968 25 M 4.3347 8.0345 119.2912 54.0256 32.7547 175.9256 26 P 4.3507 0.0000 0.0000 65.2943 31.9841 177.3891 27 E 3.9530 7.8633 118.7709 58.7520 30.5312 176.9774 28 V 4.1178 7.4153 119.9905 62.7394 31.3358 176.0968 29 K 4.4338 9.1482 127.6605 57.6506 33.8212 176.7465 30 E 4.8111 7.8364 117.0742 55.0844 34.1824 174.2639 31 A 5.1775 7.9983 123.4542 50.9376 22.5586 175.1727 32 Y 4.7982 9.1116 118.8569 56.2554 42.7431 174.5366 33 V 4.5601 8.6317 123.4281 62.4385 32.5178 175.3236 34 V 4.7106 8.6677 120.5142 59.6576 35.6192 174.2665 35 Y 4.4306 9.3096 123.0296 56.1744 40.2562 174.3250 36 G 3.4172 8.0021 114.0791 43.9696 0.0000 173.4207 37 E 3.8151 8.7773 119.2106 59.2425 29.5148 177.1156 38 Y 4.6669 7.5073 115.7494 56.0907 39.8352 175.2297 39 D 4.7534 8.9788 122.5024 56.0818 42.6624 176.5472 40 L 5.3987 7.9082 116.5246 52.9170 46.7237 175.2371 41 I 5.0196 8.8500 121.9902 59.2700 41.0571 174.2127 42 V 4.9313 9.0268 129.0996 61.0052 34.9187 173.7372 43 K 4.3576 9.1489 129.5136 55.0093 33.7610 175.5381 44 V 4.9273 8.6508 119.9589 59.7790 36.0796 174.3493 45 E 5.2127 8.8598 121.1726 55.3312 33.8000 174.7487 46 T 4.6500 8.5778 112.5028 60.2235 72.5894 174.6223 47 D 4.3593 8.7703 121.2382 55.5190 40.1464 176.8974 48 T 4.7151 7.1936 108.9941 58.7246 73.0785 174.5620 49 L 4.0117 8.3015 122.2446 58.0233 42.1237 178.9313 50 K 4.0849 8.0504 118.2168 59.6835 31.9779 178.7881 51 D 4.3868 8.1084 119.0453 57.0934 40.6397 178.5631 52 L 4.0293 7.7253 120.4761 58.2196 42.1129 178.5448 53 D 4.3904 8.3768 119.1591 57.5892 40.7871 178.7713 54 Q 3.9531 8.0480 119.6769 59.1819 29.0866 177.9371 55 F 4.2077 8.6647 122.0709 61.5119 39.4166 177.1854 56 I 3.5337 8.1098 119.7014 64.3209 36.7988 178.4390 57 T 4.1113 7.9346 109.6426 64.1174 68.8827 175.9785 58 E 4.3131 8.4240 120.2840 57.5010 30.3569 176.6721 59 K 4.2475 7.5280 116.1155 57.8024 33.7244 178.0205 60 I 3.4393 7.2100 119.3450 64.9477 37.1130 178.8529 61 R 3.9845 8.2724 118.2344 58.5843 30.0755 178.0829 62 K 4.1993 7.4916 115.3427 57.0710 32.8999 176.8909 63 M 4.1834 7.9601 121.2733 54.2536 32.0330 175.5314 64 P 4.2843 0.0000 0.0000 65.7936 31.5719 177.0719 65 E 4.2599 8.0797 117.0025 57.6718 30.8037 176.3106 66 I 4.3103 7.5126 121.1824 61.0457 37.4280 175.6170 67 Q 4.4291 9.3966 126.7050 57.7353 30.4357 175.7789 68 M 5.2184 7.8356 116.5429 53.9268 36.8140 174.3644 69 T 5.1346 8.3813 110.1026 60.4274 72.4734 173.5921 70 S 4.4543 9.0661 118.2011 57.0815 64.9741 172.2605 71 T 4.7506 8.4549 123.8017 62.8476 69.7609 174.4836 72 M 4.6438 9.3047 126.3103 53.4641 34.2559 175.2157 73 I 4.2893 8.4191 124.8337 61.0780 38.1072 175.8703 74 A 4.6321 8.8686 128.3853 50.7921 20.5184 177.5755 75 I 3.9345 8.1919 119.4028 61.6521 37.3623 176.2339 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 4.68 0.00 2.03 2.00 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 2.58 2.51 0.00 2 V 8.77 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 0.88 0.00 0.00 0.95 0.00 0.00 3 T 8.84 5.13 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 1.13 0.00 0.00 4 A 8.73 5.14 1.19 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 0.00 0.00 5 F 9.31 5.11 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 6 I 9.20 4.80 1.90 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.85 0.91 0.00 0.00 7 L 8.60 4.76 0.00 0.74 0.13 0.52 0.77 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 9.31 5.31 0.00 1.91 1.95 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 9 V 8.94 4.88 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 1.02 0.00 0.00 0.95 0.00 0.00 10 T 9.06 5.15 4.35 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 1.24 0.00 0.00 11 A 9.12 4.54 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 8.72 3.98 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 13 G 8.70 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 7.76 4.49 0.00 1.90 1.98 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.63 1.58 7.81 15 E 8.20 3.99 0.00 2.08 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 2.44 2.51 0.00 16 R 7.92 3.91 0.00 1.83 1.98 0.00 3.31 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 17 E 8.14 4.03 0.00 2.24 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 2.37 2.67 0.00 18 V 7.96 3.58 2.28 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 1.07 0.00 0.00 0.97 0.00 0.00 19 M 8.02 4.00 0.00 2.30 2.06 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 20 E 8.02 4.18 0.00 2.00 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 2.60 2.49 0.00 21 K 7.77 4.16 0.00 1.95 1.86 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.67 7.81 22 L 8.15 4.02 0.00 1.86 1.75 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.27 4.23 0.00 1.54 1.72 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.50 4.22 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 4.33 0.00 2.37 2.23 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 2.89 2.59 0.00 26 P 0.00 4.35 0.00 2.11 2.15 0.00 3.78 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 27 E 7.86 3.95 0.00 1.16 1.12 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 0.00 1.47 1.89 0.00 28 V 7.42 4.12 2.30 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 0.75 0.00 0.00 1.08 0.00 0.00 29 K 9.15 4.43 0.00 1.53 1.78 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.28 1.61 7.81 30 E 7.84 4.81 0.00 1.99 1.91 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 2.34 2.34 0.00 31 A 8.00 5.18 1.14 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 0.00 0.00 32 Y 9.11 4.80 0.00 2.88 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 8.63 4.56 2.16 0.00 0.00 0.00 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 0.98 0.00 0.00 34 V 8.67 4.71 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.13 0.00 0.00 35 Y 9.31 4.43 0.00 2.96 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 36 G 8.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.78 3.82 0.00 1.51 1.89 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 2.22 2.35 0.00 38 Y 7.51 4.67 0.00 3.02 2.90 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 39 D 8.98 4.75 0.00 2.74 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 40 L 7.91 5.40 0.00 1.59 1.55 0.96 0.84 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 41 I 8.85 5.02 1.94 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 1.34 1.59 1.07 0.00 0.00 42 V 9.03 4.93 2.13 0.00 0.00 0.00 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 9.15 4.36 0.00 1.61 1.61 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.01 0.40 7.81 44 V 8.65 4.93 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 0.75 0.00 0.00 0.91 0.00 0.00 45 E 8.86 5.21 0.00 1.65 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 2.11 0.00 46 T 8.58 4.65 4.17 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 0.00 0.00 0.00 1.03 0.00 0.00 47 D 8.77 4.36 0.00 2.79 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 48 T 7.19 4.72 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 4.01 0.00 1.78 1.71 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.05 4.08 0.00 1.81 1.86 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.49 7.81 51 D 8.11 4.39 0.00 2.88 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 7.73 4.03 0.00 1.76 1.86 1.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.38 4.39 0.00 2.90 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 8.05 3.95 0.00 2.29 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 55 F 8.66 4.21 0.00 3.17 3.28 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 0.00 56 I 8.11 3.53 1.88 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 1.61 0.63 0.88 0.00 0.00 57 T 7.93 4.11 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 1.24 0.00 0.00 58 E 8.42 4.31 0.00 2.05 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 2.38 2.47 0.00 59 K 7.53 4.25 0.00 1.42 1.49 0.00 2.03 0.00 0.00 1.97 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.45 7.81 60 I 7.21 3.44 1.80 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.70 0.82 0.00 0.00 61 R 8.27 3.98 0.00 1.87 1.96 0.00 3.13 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 62 K 7.49 4.20 0.00 1.78 1.82 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.18 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.60 7.81 63 M 7.96 4.18 0.00 2.19 2.09 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 2.76 2.44 0.00 64 P 0.00 4.28 0.00 2.16 2.19 0.00 3.74 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 65 E 8.08 4.26 0.00 1.99 2.03 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 2.56 2.40 0.00 66 I 7.51 4.31 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.48 0.91 0.00 0.00 67 Q 9.40 4.43 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 68 M 7.84 5.22 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 69 T 8.38 5.13 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 70 S 9.07 4.45 0.00 3.89 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 4.75 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 1.25 0.00 0.00 72 M 9.30 4.64 0.00 1.91 2.06 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 73 I 8.42 4.29 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 8.87 4.63 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 8.19 3.93 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 1.28 0.47 0.92 0.00 0.00