NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 T 4.5269 8.0333 117.3506 63.5645 70.5181 172.2155 10 F 4.5793 8.8638 125.3331 54.5556 42.7987 168.9717 11 V 4.5563 8.6007 124.6466 60.9013 34.8631 174.4079 12 A 4.1225 8.4805 129.2721 51.4455 18.0545 178.2504 13 L 3.9142 8.8280 121.4655 58.1952 42.1545 177.3603 14 Y 4.9170 6.8269 116.5431 56.1878 39.6783 174.8686 15 D 4.5949 8.5897 122.5703 53.7555 40.7900 174.7725 16 Y 5.0959 7.3606 123.1611 55.9073 40.2014 174.5216 17 E 4.3456 8.4938 125.3621 54.2673 28.7009 175.4649 18 S 4.4158 6.5796 118.8251 59.1323 63.5378 173.4195 19 R 4.6874 8.2902 118.3339 56.2991 30.8670 175.2422 20 T 4.6602 7.7092 105.7302 59.9074 71.8227 172.9834 21 E 4.2338 8.6052 121.1650 56.8141 29.2555 176.8343 22 T 4.1832 6.6840 113.3210 65.7253 69.3984 174.5303 23 D 4.2723 7.8941 122.7478 54.8581 41.7767 176.9527 24 L 4.3650 8.1977 123.7477 54.1836 42.8903 175.8106 25 S 4.8228 8.2306 114.3393 56.8204 65.8766 172.8913 26 F 5.1333 7.7974 115.1774 55.7063 42.3180 172.5984 27 K 5.1689 8.5011 117.4817 54.2114 35.7981 175.4341 28 K 4.4770 8.5366 122.2578 57.3869 32.5009 176.7330 29 G 4.0621 8.7216 114.3716 44.9432 0.0000 172.7585 30 E 4.4348 7.8651 121.5339 55.2890 30.8503 175.8349 31 R 4.7033 8.5727 125.7975 56.0687 31.3444 175.8349 32 L 4.7317 8.1806 120.5704 53.0035 45.9488 176.6369 33 Q 4.2417 8.6059 124.2959 55.1297 29.4039 174.7197 34 I 3.8246 8.0034 127.9408 61.7313 37.0319 176.0866 35 V 3.9422 8.5280 127.5934 64.4808 32.3735 175.9970 36 N 4.8550 7.9791 116.3061 51.2385 41.3470 173.1133 37 N 3.4316 7.8144 120.7299 52.4659 40.0368 173.1739 38 T 3.5836 8.1873 108.7340 63.1080 65.7164 173.2638 39 E 4.6754 8.0246 116.2646 55.1306 34.3625 175.4753 40 G 4.3088 8.4064 110.6106 43.8917 0.0000 172.7156 41 D 4.2213 8.9026 123.0581 56.9563 41.9357 176.9218 42 W 4.0454 7.9980 117.8788 55.6645 29.9253 176.2293 43 W 5.0377 8.3049 124.1801 54.8536 32.5579 174.8235 44 L 4.9655 8.5865 123.1233 54.2062 42.8808 175.1414 45 A 5.8599 8.8039 127.8834 50.0233 22.3480 174.6570 46 H 5.2946 8.4286 118.0159 54.5100 33.6842 172.5181 47 S 4.6457 8.4756 121.6699 58.1609 63.7456 175.1326 48 L 4.3406 8.5259 122.7427 55.9410 41.6395 177.9140 49 T 4.1035 7.2303 116.1909 65.9122 68.9765 175.6235 50 T 3.9864 7.7112 114.1987 62.1992 70.3272 174.2334 51 G 4.0371 8.1015 109.2408 46.1928 0.0000 170.9941 52 Q 4.7321 7.1118 116.9470 54.4219 34.5087 176.3938 53 T 4.5569 8.4592 117.1563 63.2751 70.3784 175.5693 54 G 4.1990 8.1897 104.6748 45.9241 0.0000 171.5801 55 Y 5.3699 8.0219 124.9750 57.8807 38.8979 175.3366 56 I 5.1245 8.7232 117.6158 58.1854 40.6824 173.8628 57 P 3.0905 0.0000 0.0000 62.2105 31.9128 175.9453 58 S 3.4452 6.7268 111.4291 60.0819 62.4277 175.3877 59 N 4.5276 7.4608 114.6645 54.6021 38.4711 174.7040 60 Y 4.3979 7.5639 115.5545 57.5660 39.1718 174.8446 61 V 5.1524 7.2058 118.2111 60.4069 35.4512 174.3733 62 A 4.5104 8.3432 119.1553 50.1814 22.8625 174.2717 63 P 3.9368 0.0000 0.0000 61.8778 32.1803 176.6936 64 S 4.1268 8.1189 116.8105 58.4174 62.6681 173.4669 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 9 T 8.03 4.53 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 1.22 0.00 0.00 10 F 8.86 4.58 0.00 3.15 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 11 V 8.60 4.56 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 1.04 0.00 0.00 0.91 0.00 0.00 12 A 8.48 4.12 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 13 L 8.83 3.91 0.00 0.98 1.64 0.77 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 6.83 4.92 0.00 1.43 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 0.00 0.00 0.00 0.00 15 D 8.59 4.59 0.00 2.70 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 Y 7.36 5.10 0.00 2.59 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 17 E 8.49 4.35 0.00 1.87 1.83 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 2.23 2.27 0.00 18 S 6.58 4.42 0.00 3.31 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.29 4.69 0.00 1.75 1.84 0.00 3.27 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 20 T 7.71 4.66 4.21 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 0.00 0.00 1.16 0.00 0.00 21 E 8.61 4.23 0.00 1.93 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 0.00 2.23 2.29 0.00 22 T 6.68 4.18 4.36 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 1.35 0.00 0.00 23 D 7.89 4.27 0.00 2.80 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 24 L 8.20 4.37 0.00 1.63 1.64 0.80 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.23 4.82 0.00 3.63 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 7.80 5.13 0.00 3.30 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 27 K 8.50 5.17 0.00 1.64 1.84 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.52 7.81 28 K 8.54 4.48 0.00 1.88 1.77 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.63 7.81 29 G 8.72 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.87 4.43 0.00 2.28 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 2.27 2.32 0.00 31 R 8.57 4.70 0.00 1.75 1.85 0.00 3.22 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.67 0.00 32 L 8.18 4.73 0.00 1.38 1.44 0.29 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.61 4.24 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.02 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 34 I 8.00 3.82 1.03 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 0.55 -0.36 0.12 0.00 0.00 35 V 8.53 3.94 2.29 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 0.82 0.00 0.00 1.02 0.00 0.00 36 N 7.98 4.85 0.00 2.70 2.67 0.00 0.00 6.64 7.98 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 37 N 7.81 3.43 0.00 1.73 1.48 0.00 0.00 6.05 7.53 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 38 T 8.19 3.58 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 1.13 0.00 0.00 39 E 8.02 4.68 0.00 2.14 1.79 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 2.23 2.30 0.00 40 G 8.41 4.31 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 0.00 41 D 8.90 4.22 0.00 2.60 2.29 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 42 W 8.00 4.05 0.00 3.04 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 43 W 8.30 5.04 0.00 3.38 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 44 L 8.59 4.97 0.00 1.73 1.63 1.09 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.80 5.86 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 46 H 8.43 5.29 0.00 3.25 3.13 0.00 5.86 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.48 4.65 0.00 3.79 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.53 4.34 0.00 1.63 1.73 0.94 0.98 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 49 T 7.23 4.10 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 1.22 0.00 0.00 50 T 7.71 3.99 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 51 G 8.10 4.04 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 0.00 0.00 0.00 52 Q 7.11 4.73 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.36 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 53 T 8.46 4.56 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 1.27 0.00 0.00 54 G 8.19 4.20 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 0.00 55 Y 8.02 5.37 0.00 3.26 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 56 I 8.72 5.12 1.97 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.85 1.16 0.00 0.00 57 P 0.00 3.09 0.00 1.04 0.49 0.00 3.61 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.44 0.00 58 S 6.73 3.45 0.00 2.72 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 59 N 7.46 4.53 0.00 2.52 2.91 0.00 0.00 6.60 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 7.56 4.40 0.00 2.87 3.30 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 61 V 7.21 5.15 2.09 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 0.87 0.00 0.00 1.32 0.00 0.00 62 A 8.34 4.51 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 63 P 0.00 3.94 0.00 1.67 1.45 0.00 3.51 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.62 0.00 64 S 8.12 4.13 0.00 3.68 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00