NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5057 8.1514 118.2075 54.9882 32.4651 175.9745 2 G 3.6438 8.8142 102.0292 47.8012 0.0000 173.7198 3 S 4.2601 8.3168 117.4337 61.5999 63.2653 174.5896 4 W 4.3194 8.2385 129.0877 59.2374 30.2033 177.8040 5 A 4.0853 7.7535 119.9983 55.7294 17.8760 178.8468 6 E 4.0319 8.0311 116.6831 59.1602 29.2145 178.9013 7 F 3.5102 8.1850 117.4742 59.9026 38.9841 177.2788 8 K 3.7867 7.4630 119.4503 59.2312 31.7479 178.8823 9 Q 4.1369 7.5434 117.1558 58.3317 28.8503 178.4970 10 R 4.0300 7.7010 119.1631 59.1457 30.0170 178.5962 11 L 4.0263 7.6261 117.6861 57.7089 41.5330 179.3638 12 A 4.0062 7.7429 119.0374 54.5678 18.6099 179.4607 13 A 3.9777 7.8631 119.5747 55.1269 18.1167 179.2809 14 I 4.1204 7.2634 116.8382 62.8714 37.1254 178.0498 15 K 4.0585 7.7942 120.6974 59.1400 32.2387 178.5207 16 T 4.5234 7.6677 116.8785 65.6161 68.9466 176.9094 17 R 3.9495 7.5237 118.8117 59.3709 30.0634 178.6293 18 L 3.8598 7.5076 116.6392 56.6091 42.2086 177.9863 19 Q 3.9221 8.2370 119.0972 59.3865 28.5094 175.7115 20 A 4.3096 7.9949 121.5261 49.5387 18.7035 177.3737 21 L 3.5989 7.5484 111.0215 54.8421 40.0673 177.2194 22 G 3.8290 7.7754 109.4828 48.2415 0.0000 175.9086 23 G 3.6062 8.1526 108.2097 46.0946 0.0000 175.6518 24 S 3.4316 7.1645 112.5571 58.2085 65.1855 173.7845 25 E 3.7234 8.3342 121.3891 58.3249 29.9995 178.1828 26 A 4.4344 7.8686 117.4317 52.3803 18.8353 176.9743 27 E 4.3240 8.2080 117.0665 57.6926 30.8646 176.9230 28 L 4.5041 7.5610 115.5571 56.2790 40.1040 178.9362 29 A 4.0907 8.0284 123.1485 55.7819 18.4988 180.4669 30 A 4.1705 8.0716 118.6334 54.7966 18.3543 179.3605 31 F 3.6851 7.7113 114.2917 61.1052 38.7915 177.3966 32 E 3.9121 7.9446 116.3262 59.7938 29.1476 179.8198 33 K 4.0555 7.7109 116.1064 59.2358 32.1890 178.0815 34 E 4.0513 8.9513 121.9204 57.8620 29.6699 177.7883 35 I 3.1965 7.4726 118.3147 64.1388 37.7850 177.9278 36 A 4.0103 7.7544 121.0730 55.0379 18.1159 178.8943 37 A 4.3032 8.2364 117.4087 53.4959 18.4163 179.1459 38 F 4.0916 8.3056 116.7984 59.1707 38.7172 177.2245 39 E 4.2031 7.9675 119.0135 58.9215 29.5538 178.3268 40 S 4.0822 8.0944 114.5495 61.3302 62.7788 175.9243 41 E 4.0861 8.0497 121.6105 58.3524 29.3816 177.7017 42 L 3.4921 7.3601 119.8815 58.1360 41.9760 178.3804 43 Q 4.4537 7.6246 115.7265 56.7834 29.3663 176.2401 44 A 4.6092 7.2234 120.4755 52.0693 19.3306 177.3477 45 Y 4.4446 8.6573 116.8245 59.2034 38.9374 175.0355 46 K 4.1770 7.1665 119.6753 55.7324 34.3833 174.1380 47 G 3.8125 8.8497 105.7295 47.1426 0.0000 174.4883 48 K 5.1872 7.4036 125.5716 55.8258 33.1149 177.3105 49 G 4.5370 7.3635 107.9488 45.9740 0.0000 172.0883 50 N 4.4751 8.3693 124.5227 55.1435 39.7659 175.0146 51 P 5.1702 0.0000 0.0000 65.5631 31.4302 177.4413 52 E 3.7897 8.2833 117.9990 59.5584 29.3629 179.1060 53 V 3.8114 7.6191 118.1569 62.9926 31.6947 177.5088 54 E 3.8597 7.8785 120.8961 59.8089 29.3063 178.3358 55 A 4.0650 7.5184 120.1439 55.2183 18.2121 178.6694 56 L 4.3359 8.2893 117.0020 56.6301 42.0117 178.2423 57 R 4.1518 8.7441 118.5125 58.9480 30.1445 177.6409 58 K 4.2391 7.8403 118.5479 58.7252 31.8566 178.7673 59 E 3.9982 8.1299 118.8889 59.3543 29.6834 178.5240 60 A 4.1046 7.9184 120.3343 54.7348 18.2896 179.5153 61 A 3.9691 7.6235 118.1785 55.4633 18.2853 179.7625 62 A 4.0435 7.7281 117.7230 54.7622 18.1915 179.4314 63 I 3.9002 7.2621 117.3119 63.2726 37.5737 178.1495 64 R 4.1993 7.8898 119.5461 58.8164 30.2874 178.2085 65 D 4.2303 7.8846 117.9456 57.5446 41.1138 178.3430 66 E 3.1441 7.7306 119.1509 58.9777 28.7481 178.2762 67 L 3.5639 7.3583 118.9995 56.7704 41.9566 178.2287 68 Q 4.0397 8.2608 119.3773 58.7056 29.2000 177.1926 69 A 4.0614 6.9845 121.0003 54.7548 18.6331 178.9155 70 Y 4.2990 7.1426 113.6612 60.9054 37.8973 178.2114 71 R 4.0775 7.1413 119.9113 58.8908 30.9956 176.2708 72 H 4.9223 7.9967 113.2364 54.3528 28.6226 172.7436 73 N 4.4917 7.9919 121.4021 54.4885 38.8490 173.8406 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 8.15 4.51 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.58 0.00 2 G 8.81 3.64 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 0.00 0.00 0.00 3 S 8.32 4.26 0.00 3.98 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 4 W 8.24 4.32 0.00 3.57 3.15 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 5 A 7.75 4.09 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 6 E 8.03 4.03 0.00 2.17 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 2.24 2.31 0.00 7 F 8.19 3.51 0.00 2.77 2.44 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 8 K 7.46 3.79 0.00 1.58 1.84 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.51 7.81 9 Q 7.54 4.14 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 10 R 7.70 4.03 0.00 1.79 2.05 0.00 3.02 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 11 L 7.63 4.03 0.00 1.66 1.75 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.74 4.01 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 13 A 7.86 3.98 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 14 I 7.26 4.12 2.04 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.67 0.98 0.00 0.00 15 K 7.79 4.06 0.00 1.84 1.88 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.49 7.81 16 T 7.67 4.52 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 1.21 0.00 0.00 17 R 7.52 3.95 0.00 2.37 2.42 0.00 3.20 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.77 0.00 18 L 7.51 3.86 0.00 1.85 1.42 -0.79 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.24 3.92 0.00 2.31 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.38 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 20 A 7.99 4.31 1.27 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 0.00 0.00 21 L 7.55 3.60 0.00 1.71 1.66 -0.07 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 22 G 7.78 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.15 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.16 3.43 0.00 4.47 4.19 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 25 E 8.33 3.72 0.00 1.95 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 2.31 2.37 0.00 26 A 7.87 4.43 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.21 4.32 0.00 2.06 1.84 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 2.27 2.35 0.00 28 L 7.56 4.50 0.00 1.51 1.51 0.91 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.03 4.09 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 8.07 4.17 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 31 F 7.71 3.69 0.00 3.16 3.18 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 0.00 32 E 7.94 3.91 0.00 2.26 2.05 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 2.37 2.54 0.00 33 K 7.71 4.06 0.00 1.92 1.87 0.00 1.70 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.45 7.81 34 E 8.95 4.05 0.00 1.78 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 1.94 2.23 0.00 35 I 7.47 3.20 1.82 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.96 0.93 0.00 0.00 36 A 7.75 4.01 1.43 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 0.00 0.00 0.00 37 A 8.24 4.30 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 38 F 8.31 4.09 0.00 3.20 3.23 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 0.00 39 E 7.97 4.20 0.00 2.09 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 2.30 2.38 0.00 40 S 8.09 4.08 0.00 3.95 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 41 E 8.05 4.09 0.00 2.20 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 2.45 2.37 0.00 42 L 7.36 3.49 0.00 1.92 1.66 0.78 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 7.62 4.45 0.00 1.96 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 44 A 7.22 4.61 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.66 4.44 0.00 3.37 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.17 4.18 0.00 0.79 0.99 0.00 1.59 0.00 0.00 1.30 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.05 1.02 7.81 47 G 8.85 3.81 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 0.00 0.00 0.00 48 K 7.40 5.19 0.00 1.94 1.89 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.15 1.19 7.81 49 G 7.36 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.37 4.48 0.00 2.72 2.89 0.00 0.00 7.24 8.04 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 51 P 0.00 5.17 0.00 2.23 2.28 0.00 3.89 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 2.05 1.89 0.00 52 E 8.28 3.79 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 2.32 2.37 0.00 53 V 7.62 3.81 1.50 0.00 0.00 0.00 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 0.41 0.00 0.00 54 E 7.88 3.86 0.00 2.25 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 2.32 2.35 0.00 55 A 7.52 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 56 L 8.29 4.34 0.00 2.03 1.74 0.62 0.95 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 57 R 8.74 4.15 0.00 1.76 2.09 0.00 3.32 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 58 K 7.84 4.24 0.00 1.87 1.87 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.50 7.81 59 E 8.13 4.00 0.00 2.12 2.04 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 2.45 2.44 0.00 60 A 7.92 4.10 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.62 3.97 1.42 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 62 A 7.73 4.04 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.26 3.90 2.02 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 1.59 0.87 0.97 0.00 0.00 64 R 7.89 4.20 0.00 2.01 1.94 0.00 3.28 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 65 D 7.88 4.23 0.00 2.71 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.73 3.14 0.00 2.24 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 2.46 2.38 0.00 67 L 7.36 3.56 0.00 1.73 1.86 0.89 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 8.26 4.04 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 69 A 6.98 4.06 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 70 Y 7.14 4.30 0.00 2.88 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 71 R 7.14 4.08 0.00 2.17 2.05 0.00 3.40 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 72 H 8.00 4.92 0.00 3.26 3.27 0.00 5.58 0.00 0.00 0.00 0.00 8.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 N 7.99 4.49 0.00 2.72 2.69 0.00 0.00 7.22 7.58 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