NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1148 7.8833 121.0448 60.7649 40.0305 174.1561 2 R 4.4974 8.3515 128.9990 55.0963 30.8822 173.6347 3 C 5.1736 9.2584 122.0842 54.5560 45.1319 173.1925 4 F 4.7317 8.3758 120.8744 58.0549 38.4173 175.1075 5 I 4.4114 8.3143 124.9879 60.2192 39.2565 175.4044 6 T 4.8383 8.2835 120.8349 61.4396 71.0773 172.0035 7 P 4.6753 0.0000 0.0000 63.0376 31.7561 175.7556 8 D 4.6556 7.1740 117.9878 54.3748 41.5614 177.1548 9 I 3.6183 8.1760 122.3257 63.5989 37.3193 176.0117 10 T 4.8459 7.6285 114.7216 60.3804 70.1688 173.0477 11 S 4.6935 8.5873 118.6041 57.1309 64.8696 173.4480 12 K 4.6350 8.2788 120.4420 54.7920 37.0730 175.0780 13 D 4.6065 8.6509 121.6151 53.6784 41.3911 176.5809 14 C 4.8268 8.1172 124.6018 54.1479 40.3865 172.3995 15 P 4.0151 0.0000 0.0000 64.8959 31.5480 177.7985 16 N 3.9265 8.1150 121.3855 54.3901 34.7337 174.4807 17 G 3.7881 7.7244 109.5418 45.0983 0.0000 171.9632 18 H 4.5517 8.3634 122.6341 57.0581 29.2116 176.2814 19 V 4.7657 8.0073 111.8564 59.7903 36.2481 173.6316 20 C 5.2815 8.8457 121.7742 55.9477 40.2086 172.4458 21 Y 5.3474 8.6983 121.3185 55.7639 41.2015 174.8265 22 T 4.9130 8.6895 116.3002 61.4238 70.4353 172.6078 23 K 4.5879 8.8635 125.0042 56.6163 33.9506 176.1505 24 T 5.4570 9.2239 114.5520 60.3783 72.2136 172.6973 25 W 5.5379 9.0103 122.5453 55.0727 32.2472 172.7203 26 C 4.7878 8.9640 122.3643 55.5982 43.7284 172.5338 27 D 4.8979 8.3616 128.3514 53.0163 40.0298 176.5500 28 A 4.2453 8.6867 118.6018 55.0292 18.3475 178.9613 29 F 4.3441 8.3521 113.7719 58.8998 38.9946 175.5592 30 C 5.5414 7.9241 120.4146 56.6231 45.0856 176.0184 31 S 3.9091 7.9590 114.4857 61.1087 61.9714 174.5597 32 I 3.8925 6.8499 120.9831 62.2911 37.4069 176.3344 33 R 4.0961 7.3504 123.4657 55.8149 31.1882 175.4346 34 G 3.6512 7.7743 103.9416 43.2931 0.0000 173.1779 35 K 4.1907 8.2440 117.8432 56.4790 32.7709 177.5196 36 R 3.8935 8.0101 123.8621 56.3089 31.2848 175.6947 37 V 5.2335 8.0434 117.2179 58.6176 35.3727 174.1526 38 D 4.9265 9.2215 125.3972 52.7195 42.9450 175.6710 39 L 4.6455 8.8445 126.0560 53.0528 43.9087 176.4749 40 G 3.6034 6.1705 105.0612 45.8013 0.0000 168.7987 41 C 5.4611 7.7364 112.6240 53.8242 39.5057 172.1666 42 A 4.5144 8.3307 121.3248 51.4070 22.0054 177.7538 43 A 4.0128 8.6782 122.2114 55.0894 18.4770 177.7455 44 T 4.6389 7.3373 101.8375 59.5275 72.2120 173.6789 45 C 4.3259 8.5425 121.7952 55.7747 44.0180 171.3578 46 P 4.4574 0.0000 0.0000 62.0435 31.9651 175.9854 47 T 3.9306 8.0130 115.2539 63.5140 68.8629 174.3701 48 V 4.1962 7.9121 123.3473 60.8360 32.5834 175.8704 49 K 4.1177 8.2008 126.8082 56.1062 32.7229 176.2793 50 T 4.1061 8.1968 116.6554 63.5263 67.5996 172.6285 51 G 4.2127 9.2318 117.2019 45.5342 0.0000 173.8442 52 V 3.7751 6.8090 116.8085 63.5577 32.3077 175.1622 53 D 5.0136 9.0624 125.9324 52.4935 43.8644 174.4172 54 I 4.9615 8.3225 124.7126 58.7960 41.8242 174.9919 55 Q 4.3957 8.4100 126.1552 55.8721 30.6999 173.9406 56 C 5.3964 8.6286 124.2175 56.4273 37.0118 171.4847 57 C 4.9070 8.1917 114.0070 55.7983 44.9917 174.4595 58 S 4.5790 8.6011 110.4950 58.4477 64.8486 174.2277 59 T 4.1771 7.8111 117.8026 62.3550 69.0267 173.6187 60 D 4.1628 8.7014 125.7450 55.6553 40.7729 174.8877 61 N 3.8753 8.4843 124.5138 53.4517 35.3065 171.7637 62 C 5.1250 8.3234 110.2664 54.6105 43.0481 174.7679 63 N 5.0916 8.1796 116.6045 52.0422 37.4631 172.7190 64 P 4.2991 0.0000 0.0000 63.0350 31.8796 174.7626 65 F 4.6888 8.3541 120.8578 57.8077 39.9605 173.4205 66 P 4.6118 0.0000 0.0000 62.4770 33.1022 176.2041 67 T 4.1874 8.0758 115.8370 63.2454 70.0393 174.5427 68 R 4.1571 7.9169 123.2438 56.2675 30.3904 173.5928 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 I 7.88 4.11 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.25 0.90 0.00 0.00 2 R 8.35 4.50 0.00 1.71 1.69 0.00 3.04 0.00 0.00 3.17 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.51 0.00 3 C 9.26 5.17 0.00 2.75 2.86 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.38 4.73 0.00 3.11 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 5 I 8.31 4.41 1.87 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 1.17 0.87 0.96 0.00 0.00 6 T 8.28 4.84 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 7 P 0.00 4.68 0.00 2.13 2.10 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.96 0.00 8 D 7.17 4.66 0.00 2.67 2.61 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 9 I 8.18 3.62 1.82 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 1.22 0.25 0.79 0.00 0.00 10 T 7.63 4.85 4.28 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 1.23 0.00 0.00 11 S 8.59 4.69 0.00 3.60 3.22 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 0.00 12 K 8.28 4.63 0.00 1.57 1.66 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.33 1.49 7.81 13 D 8.65 4.61 0.00 2.63 2.58 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 0.00 0.00 0.00 0.00 14 C 8.12 4.83 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 15 P 0.00 4.02 0.00 2.19 2.19 0.00 3.71 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 16 N 8.11 3.93 0.00 2.72 2.93 0.00 0.00 7.13 7.65 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 17 G 7.72 3.79 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 0.00 0.00 0.00 18 H 8.36 4.55 0.00 3.18 3.37 0.00 5.60 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.01 4.77 2.21 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 0.84 0.00 0.00 1.12 0.00 0.00 20 C 8.85 5.28 0.00 2.95 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 21 Y 8.70 5.35 0.00 3.02 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 22 T 8.69 4.91 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 1.32 0.00 0.00 23 K 8.86 4.59 0.00 2.22 1.93 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.20 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.62 1.94 7.81 24 T 9.22 5.46 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 1.31 0.00 0.00 25 W 9.01 5.54 0.00 3.47 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 26 C 8.96 4.79 0.00 3.03 3.06 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 27 D 8.36 4.90 0.00 2.88 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.69 4.25 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 29 F 8.35 4.34 0.00 3.17 2.98 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 0.00 0.00 0.00 30 C 7.92 5.54 0.00 3.25 3.11 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 31 S 7.96 3.91 0.00 3.85 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 32 I 6.85 3.89 1.62 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.34 0.79 0.00 0.00 33 R 7.35 4.10 0.00 1.94 1.98 0.00 3.14 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.42 0.00 34 G 7.77 3.65 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 0.00 0.00 0.00 35 K 8.24 4.19 0.00 1.59 1.77 0.00 1.88 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.42 7.81 36 R 8.01 3.89 0.00 0.89 0.66 0.00 2.91 0.00 0.00 2.81 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.34 0.00 37 V 8.04 5.23 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 1.17 0.00 0.00 1.12 0.00 0.00 38 D 9.22 4.93 0.00 2.96 2.75 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 39 L 8.84 4.65 0.00 1.53 1.67 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 40 G 6.17 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 0.00 0.00 0.00 41 C 7.74 5.46 0.00 3.20 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 A 8.33 4.51 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 43 A 8.68 4.01 1.34 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 0.00 0.00 44 T 7.34 4.64 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 1.20 0.00 0.00 45 C 8.54 4.33 0.00 2.95 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 46 P 0.00 4.46 0.00 1.97 1.63 0.00 3.70 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.25 0.00 47 T 8.01 3.93 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 1.16 0.00 0.00 48 V 7.91 4.20 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 0.82 0.00 0.00 0.90 0.00 0.00 49 K 8.20 4.12 0.00 1.73 1.62 0.00 1.53 0.00 0.00 1.49 0.00 0.00 2.68 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.43 1.31 7.81 50 T 8.20 4.11 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 1.21 0.00 0.00 51 G 9.23 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 0.00 0.00 0.00 0.00 52 V 6.81 3.78 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 0.71 0.00 0.00 0.70 0.00 0.00 53 D 9.06 5.01 0.00 2.90 2.67 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 0.00 0.00 0.00 54 I 8.32 4.96 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.42 0.94 0.00 0.00 55 Q 8.41 4.40 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.67 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 56 C 8.63 5.40 0.00 2.94 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 57 C 8.19 4.91 0.00 2.94 3.20 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 58 S 8.60 4.58 0.00 3.83 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.81 4.18 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 1.27 0.00 0.00 60 D 8.70 4.16 0.00 2.60 2.61 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 61 N 8.48 3.88 0.00 2.73 2.67 0.00 0.00 6.81 7.16 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 62 C 8.32 5.12 0.00 3.06 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 63 N 8.18 5.09 0.00 2.88 2.95 0.00 0.00 6.16 7.75 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 64 P 0.00 4.30 0.00 2.14 2.06 0.00 3.96 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 65 F 8.35 4.69 0.00 2.73 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 66 P 0.00 4.61 0.00 2.09 2.00 0.00 3.52 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.96 0.00 67 T 8.08 4.19 4.13 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 0.00 0.00 0.00 1.09 0.00 0.00 68 R 7.92 4.16 0.00 1.77 1.60 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.19 0.00