NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5162 8.1627 118.3265 55.4968 33.7386 173.2179 2 Q 4.7850 8.0421 118.2560 52.8438 32.7395 171.7148 3 I 4.3767 9.3646 119.6106 59.0169 42.4275 173.1282 4 F 5.4985 8.5950 120.6114 55.6953 41.8065 175.0188 5 V 4.8027 9.2952 123.2115 60.9265 34.1837 173.9841 6 K 5.0106 8.9185 129.4102 54.6285 34.6975 176.0889 7 T 4.6837 8.4962 118.1373 61.0058 69.7975 174.7231 8 L 4.1882 8.4104 121.6684 57.8282 41.9508 178.6987 9 T 3.9566 8.1780 108.0380 64.9959 68.4351 173.3570 10 G 3.4077 7.6752 114.0930 45.0158 0.0000 173.8119 11 K 3.7633 7.4708 121.7161 57.5863 32.7971 176.0347 12 T 5.1455 8.5196 123.2570 62.2079 71.2145 174.0832 13 I 4.7082 8.6212 123.8471 60.1280 41.5274 174.3388 14 T 5.0379 8.6979 123.1748 62.2830 70.1050 174.0701 15 L 4.7848 8.9497 125.7582 52.8360 45.3213 174.9706 16 E 4.7910 8.7088 123.8595 55.0600 30.5319 175.2353 17 V 4.7281 8.8844 119.5827 59.8560 36.3124 174.4980 18 E 4.7848 8.9004 120.6750 53.9957 32.3512 176.0729 19 P 4.3040 0.0000 0.0000 64.6499 31.6248 178.3844 20 S 4.3596 7.8251 111.7948 59.6458 64.0240 174.4791 21 D 4.3942 8.0259 123.0940 54.5338 41.2336 176.3911 22 T 4.7389 8.2400 114.0924 61.1636 71.3509 175.8975 23 I 3.7819 8.4169 122.2164 64.2972 36.9551 178.8310 24 E 3.9623 8.1138 119.4003 59.4043 29.2914 178.5252 25 N 4.2919 7.9262 116.5722 56.4205 38.6143 177.5958 26 V 3.6016 7.5627 118.8100 65.8410 31.7822 178.1275 27 K 4.2767 8.4752 119.4299 58.8947 31.8891 179.1293 28 A 4.0238 8.1626 120.9584 55.1001 18.3818 179.8867 29 K 4.0027 7.8345 116.8599 59.4493 31.9761 179.6961 30 I 3.8210 7.7531 120.2955 64.1674 37.0574 178.0469 31 Q 4.3149 8.0994 121.7348 58.5623 28.5185 178.2765 32 D 4.3126 7.7158 118.8709 57.3812 41.1582 178.6069 33 K 4.2976 7.8100 116.5270 58.3001 31.9093 178.1256 34 E 4.5533 8.3651 116.4261 55.6263 32.4594 175.6542 35 G 4.0441 8.2273 106.0823 46.2555 0.0000 173.5945 36 I 4.2091 7.1275 118.8433 59.0463 38.3339 173.7848 37 P 4.4181 0.0000 0.0000 61.7241 31.9743 175.7440 38 P 4.2322 0.0000 0.0000 64.6352 31.4721 177.7100 39 D 4.5566 7.9290 116.7717 55.1288 40.0576 177.3192 40 Q 4.2263 8.6973 119.1324 57.1584 29.4143 175.2175 41 Q 4.7092 7.4587 117.6201 55.2347 30.3977 175.2142 42 R 4.6823 9.1214 122.9385 54.4464 33.3020 174.5824 43 L 5.0110 8.4593 124.2707 53.7280 43.9960 175.9151 44 I 5.0459 8.6606 122.6554 59.5402 41.4043 174.0750 45 F 5.0161 9.4843 128.5228 56.6089 42.0990 174.7747 46 A 3.3687 9.0407 130.5108 53.0715 15.6262 177.3333 47 G 3.9225 7.8437 107.4762 45.2262 0.0000 172.7562 48 K 4.4752 7.7969 121.7788 54.5519 33.7506 174.6760 49 Q 4.6287 8.4256 127.0236 55.6042 29.9480 175.0162 50 L 3.8866 8.5550 127.5763 54.3823 42.2685 176.2080 51 E 4.4338 9.5383 126.2737 55.1272 31.1022 175.6743 52 D 4.4766 8.6676 126.5667 55.9865 41.4309 176.9120 53 G 3.9682 8.7658 110.7627 45.1817 0.0000 173.4318 54 R 4.5769 7.5516 117.3911 54.6821 32.5534 175.1706 55 T 5.0396 8.0554 108.9149 59.7305 71.4003 175.6897 56 L 4.0048 8.4170 121.9465 58.1646 41.5013 180.1611 57 S 4.0992 7.9711 113.5471 61.5795 62.6141 176.1042 58 D 4.4826 7.7010 120.9839 56.2723 40.5651 177.1421 59 Y 4.5181 7.7387 114.9417 56.2585 39.3520 174.6259 60 N 4.1292 8.5221 117.7172 54.4812 37.8783 174.1067 61 I 3.7734 7.6868 117.5182 60.2314 38.1280 175.6878 62 Q 4.6532 8.1938 123.7451 52.8689 31.8685 174.7510 63 K 4.0684 8.2907 117.6764 58.9503 32.4853 176.8755 64 E 3.2944 9.0583 119.8475 56.6717 27.8113 174.8099 65 S 4.6048 7.7922 115.8048 58.9331 64.4815 173.1860 66 T 5.1775 8.6581 117.4764 62.0974 70.7951 173.6803 67 L 5.0836 8.9458 126.4913 53.5312 44.8556 175.1614 68 H 5.2768 9.1905 119.0802 54.1613 31.5286 173.4405 69 L 4.9955 8.6711 125.0759 53.6854 43.0861 175.7810 70 V 4.5538 8.8465 126.5137 61.1877 34.6938 174.1112 71 L 5.3341 8.1460 123.0803 53.1036 44.4539 176.8834 72 R 3.7934 9.4643 124.3827 60.1129 30.7359 176.4912 73 L 4.0296 7.1980 121.7179 54.5347 41.2975 175.1345 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 8.16 4.52 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.69 0.00 2 Q 8.04 4.79 0.00 2.32 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.69 0.00 0.00 0.00 0.00 0.00 2.01 2.32 0.00 3 I 9.36 4.38 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.98 0.74 0.00 0.00 4 F 8.59 5.50 0.00 2.99 2.89 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 0.00 0.00 0.00 5 V 9.30 4.80 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 1.03 0.00 0.00 0.93 0.00 0.00 6 K 8.92 5.01 0.00 1.70 1.45 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.31 7.81 7 T 8.50 4.68 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 8 L 8.41 4.19 0.00 1.67 1.77 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.18 3.96 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 10 G 7.68 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.47 3.76 0.00 1.90 1.75 0.00 1.61 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.47 7.81 12 T 8.52 5.15 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 1.20 0.00 0.00 13 I 8.62 4.71 2.00 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 1.38 0.93 0.93 0.00 0.00 14 T 8.70 5.04 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 15 L 8.95 4.78 0.00 1.52 1.47 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.71 4.79 0.00 1.93 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 2.20 2.44 0.00 17 V 8.88 4.73 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 0.69 0.00 0.00 0.85 0.00 0.00 18 E 8.90 4.78 0.00 1.85 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 2.20 2.38 0.00 19 P 0.00 4.30 0.00 2.15 2.06 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 20 S 7.83 4.36 0.00 3.96 3.97 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 21 D 8.03 4.39 0.00 2.81 2.62 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 22 T 8.24 4.74 4.44 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 1.22 0.00 0.00 23 I 8.42 3.78 1.90 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 1.86 1.04 0.94 0.00 0.00 24 E 8.11 3.96 0.00 2.06 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 2.40 2.46 0.00 25 N 7.93 4.29 0.00 2.97 2.87 0.00 0.00 6.70 8.22 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 26 V 7.56 3.60 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 1.00 0.00 0.00 0.90 0.00 0.00 27 K 8.48 4.28 0.00 1.96 1.86 0.00 1.73 0.00 0.00 1.95 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.61 1.48 7.81 28 A 8.16 4.02 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 29 K 7.83 4.00 0.00 1.89 1.86 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.80 7.81 30 I 7.75 3.82 2.15 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 1.41 0.79 0.91 0.00 0.00 31 Q 8.10 4.31 0.00 2.21 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 32 D 7.72 4.31 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 33 K 7.81 4.30 0.00 1.77 1.87 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.70 7.81 34 E 8.37 4.55 0.00 2.04 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 0.00 2.23 2.40 0.00 35 G 8.23 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 36 I 7.13 4.21 1.87 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 1.30 0.83 0.95 0.00 0.00 37 P 0.00 4.42 0.00 2.40 1.98 0.00 3.85 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 38 P 0.00 4.23 0.00 2.17 2.10 0.00 3.59 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 39 D 7.93 4.56 0.00 2.78 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 40 Q 8.70 4.23 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 7.00 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 41 Q 7.46 4.71 0.00 2.25 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 42 R 9.12 4.68 0.00 1.66 1.81 0.00 3.42 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 43 L 8.46 5.01 0.00 1.55 1.53 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.66 5.05 1.91 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 1.12 0.82 0.96 0.00 0.00 45 F 9.48 5.02 0.00 2.90 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.04 3.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.84 3.92 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 0.00 0.00 0.00 48 K 7.80 4.48 0.00 1.82 1.81 0.00 1.78 0.00 0.00 1.90 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.42 7.81 49 Q 8.43 4.63 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 50 L 8.56 3.89 0.00 1.41 1.30 0.63 0.23 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 51 E 9.54 4.43 0.00 2.13 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 2.35 2.34 0.00 52 D 8.67 4.48 0.00 2.73 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.77 3.97 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 0.00 0.00 0.00 54 R 7.55 4.58 0.00 2.11 1.92 0.00 2.97 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 55 T 8.06 5.04 4.46 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 1.28 0.00 0.00 56 L 8.42 4.00 0.00 1.85 1.68 0.85 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.97 4.10 0.00 4.06 4.11 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 58 D 7.70 4.48 0.00 2.61 2.43 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 59 Y 7.74 4.52 0.00 3.03 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 60 N 8.52 4.13 0.00 2.85 2.98 0.00 0.00 7.13 8.03 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 61 I 7.69 3.77 1.61 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.18 0.50 0.00 0.00 62 Q 8.19 4.65 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.02 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 63 K 8.29 4.07 0.00 1.78 1.78 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.47 7.81 64 E 9.06 3.29 0.00 2.15 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 0.00 2.24 2.24 0.00 65 S 7.79 4.60 0.00 3.77 3.89 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 0.00 0.00 0.00 66 T 8.66 5.18 4.37 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 1.23 0.00 0.00 67 L 8.95 5.08 0.00 1.60 1.59 0.85 0.78 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 68 H 9.19 5.28 0.00 3.12 3.21 0.00 5.78 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.67 5.00 0.00 1.61 1.58 0.93 0.82 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 70 V 8.85 4.55 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 0.99 0.00 0.00 0.94 0.00 0.00 71 L 8.15 5.33 0.00 1.50 1.51 0.93 0.89 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 72 R 9.46 3.79 0.00 1.79 1.95 0.00 3.31 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 73 L 7.20 4.03 0.00 1.75 1.85 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00