NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 E 4.2728 8.3027 121.4693 56.0185 30.7348 175.4426 8 K 3.8280 8.4934 116.5191 58.9617 32.0772 176.4464 9 E 4.0120 8.3243 118.7677 59.2130 29.8355 177.9624 10 E 3.9317 8.3084 119.8454 59.1524 29.6464 179.0276 11 K 4.2196 7.8170 118.8326 59.0962 31.8531 178.9313 12 D 4.3202 7.8883 118.1644 57.1611 40.8466 177.9191 13 F 3.8491 8.2181 121.0890 61.3332 39.5181 177.2053 14 R 3.6630 8.6655 118.5609 58.9034 29.5005 177.9953 15 K 3.8054 7.7270 119.0318 59.6333 32.4008 178.1317 16 K 4.2501 7.9212 117.8604 58.3098 32.0693 177.1497 17 F 4.6125 9.4470 118.2656 57.9301 38.8266 177.3600 18 K 4.2485 7.5200 121.5126 57.6807 32.8076 175.3529 19 Y 4.1556 12.0000 120.2721 58.1974 38.8096 174.6581 20 D 4.3440 8.6533 128.0900 52.8726 40.5827 175.3002 21 G 4.4662 6.8151 111.9477 44.4299 0.0000 170.3547 22 E 4.3044 8.5852 120.1575 54.2130 28.4832 174.8697 23 I 3.9899 8.0200 124.8352 61.2804 37.0095 176.4494 24 R 4.3330 8.2987 126.5029 54.8105 32.0401 174.9533 25 V 4.3896 8.3039 125.2459 61.7155 30.5981 175.3942 26 L 4.2907 8.4822 127.8936 56.8707 42.5444 176.5220 27 Y 4.6051 7.4279 118.0245 54.3828 37.8190 173.3017 28 S 4.1046 8.2911 120.9835 58.9691 63.3457 174.5321 29 T 4.4780 8.1409 120.3462 61.0537 69.3158 172.9992 30 K 4.6779 8.3254 124.1851 54.5823 34.1451 176.6021 31 V 3.8358 9.1113 125.8231 62.9379 32.4003 175.5421 32 T 4.2594 8.6647 125.5040 63.3040 69.0482 175.5397 33 T 3.7982 8.6914 121.0088 64.9583 67.3415 174.0789 34 S 4.5544 7.9204 113.8684 58.1405 63.1688 173.6872 35 I 4.2672 8.9117 122.0180 60.7456 38.4805 175.0858 36 T 3.3118 8.4100 117.4873 61.7310 66.9503 173.3623 37 S 4.7301 8.0549 122.6780 58.0389 64.8891 174.3575 38 K 4.0389 7.2759 117.2991 57.8333 33.6572 176.8354 39 K 3.7567 6.9197 120.6263 55.2970 32.3934 175.8727 40 W 5.7101 8.4611 125.5310 55.3300 33.0971 174.4435 41 G 4.4029 8.8320 111.1254 43.4511 0.0000 173.5975 42 T 3.9406 8.7259 114.5341 64.7919 67.4283 175.0396 43 R 4.6986 8.1726 117.6939 56.0345 30.5421 175.0559 44 D 5.4230 8.3286 118.3989 52.5902 43.2773 175.0627 45 L 4.5370 7.9391 122.9227 53.7792 43.3536 175.4277 46 Q 2.5200 7.8274 123.3731 55.6161 29.1944 176.4317 47 V 3.7742 7.1074 108.8193 60.6841 32.6674 175.5325 48 K 4.9178 8.2356 120.1251 54.1625 35.0266 173.6542 49 P 4.3488 0.0000 0.0000 64.0993 31.8509 176.4938 50 G 3.9649 8.8045 110.7848 45.0811 0.0000 172.5544 51 E 4.6691 7.7285 118.4759 54.6565 32.6468 174.5775 52 S 4.9643 8.4149 114.6024 56.6670 64.8159 172.5538 53 L 4.8381 8.1150 127.2112 53.1962 45.9656 175.1449 54 E 4.1530 8.2569 121.3916 56.0727 30.8501 176.0831 55 V 4.3443 8.0477 123.8318 60.8662 33.2114 173.7193 56 I 4.5521 8.7431 134.7411 61.9405 38.7884 176.2700 57 Q 4.8912 8.7934 128.7310 55.4866 31.1713 175.1336 58 T 4.7964 8.4058 111.4607 61.6345 68.5316 173.8555 59 T 3.6339 7.9778 124.3020 65.2373 69.6568 175.1207 60 D 4.4065 7.7979 123.0051 54.3746 41.8421 176.4509 61 D 4.7616 8.8200 120.4416 56.4149 44.1451 177.1140 62 T 4.6658 7.2975 114.7009 60.7591 68.2393 172.2794 63 K 4.7350 7.5852 122.8143 55.2433 36.7717 174.7535 64 V 4.8389 8.3984 120.6627 59.4535 34.9276 174.3100 65 L 4.7995 8.4097 127.2028 54.6521 43.4653 175.6092 66 C 5.6094 8.7421 123.8261 58.4511 30.4840 172.6711 67 R 4.4469 8.1230 120.3108 54.3218 33.4462 173.3174 68 N 5.0427 7.9480 122.3822 50.6335 39.8574 175.1561 69 E 3.8112 8.9655 122.1322 58.4193 29.8078 177.3293 70 E 3.8528 7.8732 118.1349 58.0199 29.6979 177.3114 71 G 3.8907 8.3982 106.2465 45.4717 0.0000 172.7967 72 K 4.7398 7.5182 119.6178 54.5544 35.6970 174.5388 73 Y 4.5467 8.4853 122.3575 56.5593 41.1325 174.6879 74 G 4.3031 8.4994 105.5817 45.8548 0.0000 171.8823 75 Y 5.6603 8.7552 118.4350 56.4991 41.1183 175.2929 76 V 4.6397 8.2824 120.1709 61.3897 35.0558 174.0883 77 L 4.2131 8.1184 130.0354 54.3390 42.8233 177.5455 78 R 3.7528 8.0400 121.6524 59.3007 29.3318 177.8069 79 S 4.1535 8.1691 114.1303 61.0263 62.2536 174.5274 80 Y 4.6340 6.0341 121.2575 53.9536 37.0616 173.8725 81 L 4.2584 7.4928 128.3340 54.9752 45.1624 173.4056 82 A 4.4242 8.3280 124.6246 50.8235 19.5410 177.3425 83 D 4.5751 8.6169 117.8860 55.1098 40.8451 177.0966 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 7 E 8.30 4.27 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 8 K 8.49 3.83 0.00 1.90 1.79 0.00 1.79 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.53 7.81 9 E 8.32 4.01 0.00 2.07 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 2.39 2.29 0.00 10 E 8.31 3.93 0.00 1.97 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 0.00 2.22 2.41 0.00 11 K 7.82 4.22 0.00 2.03 1.85 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.49 7.81 12 D 7.89 4.32 0.00 2.81 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 13 F 8.22 3.85 0.00 2.70 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 14 R 8.67 3.66 0.00 1.92 2.11 0.00 3.25 0.00 0.00 3.07 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 15 K 7.73 3.81 0.00 1.85 2.04 0.00 1.91 0.00 0.00 1.85 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.63 7.81 16 K 7.92 4.25 0.00 2.07 2.00 0.00 1.59 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.52 7.81 17 F 9.45 4.61 0.00 1.69 2.10 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.52 4.25 0.00 1.68 1.84 0.00 1.65 0.00 0.00 1.47 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.57 1.53 7.81 19 Y 12.00 4.16 0.00 3.05 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 20 D 8.65 4.34 0.00 2.66 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 G 6.82 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 0.00 0.00 0.00 0.00 22 E 8.59 4.30 0.00 1.98 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 2.28 0.00 23 I 8.02 3.99 1.94 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.08 1.09 0.00 0.00 24 R 8.30 4.33 0.00 1.99 1.83 0.00 3.28 0.00 0.00 3.33 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 25 V 8.30 4.39 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 0.63 0.00 0.00 0.88 0.00 0.00 26 L 8.48 4.29 0.00 1.75 1.99 1.01 0.96 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 27 Y 7.43 4.61 0.00 3.10 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 28 S 8.29 4.10 0.00 4.09 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.14 4.48 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 1.25 0.00 0.00 30 K 8.33 4.68 0.00 1.70 1.73 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.43 7.81 31 V 9.11 3.84 2.26 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 1.19 0.00 0.00 1.04 0.00 0.00 32 T 8.66 4.26 4.30 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 1.29 0.00 0.00 33 T 8.69 3.80 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 1.23 0.00 0.00 34 S 7.92 4.55 0.00 4.04 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 35 I 8.91 4.27 2.24 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.24 1.12 0.00 0.00 36 T 8.41 3.31 2.69 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 0.00 0.00 1.44 0.00 0.00 37 S 8.05 4.73 0.00 3.87 3.73 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 38 K 7.28 4.04 0.00 1.74 1.70 0.00 1.51 0.00 0.00 1.52 0.00 0.00 2.83 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.01 1.15 7.81 39 K 6.92 3.76 0.00 1.24 1.21 0.00 1.54 0.00 0.00 1.52 0.00 0.00 2.96 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 1.40 7.81 40 W 8.46 5.71 0.00 3.26 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.83 4.40 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 0.00 42 T 8.73 3.94 4.32 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 43 R 8.17 4.70 0.00 2.08 2.29 0.00 3.20 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.77 0.00 44 D 8.33 5.42 0.00 2.89 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 45 L 7.94 4.54 0.00 1.75 1.56 0.95 0.73 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 46 Q 7.83 2.52 0.00 1.45 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.71 6.68 0.00 0.00 0.00 0.00 0.00 1.94 1.53 0.00 47 V 7.11 3.77 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 0.83 0.00 0.00 1.19 0.00 0.00 48 K 8.24 4.92 0.00 1.96 1.97 0.00 1.52 0.00 0.00 1.88 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.37 7.81 49 P 0.00 4.35 0.00 2.34 2.37 0.00 3.82 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 50 G 8.80 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 51 E 7.73 4.67 0.00 2.31 1.90 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 2.26 2.25 0.00 52 S 8.41 4.96 0.00 3.83 3.69 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 0.00 0.00 0.00 53 L 8.12 4.84 0.00 1.70 1.44 0.86 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.26 4.15 0.00 2.17 1.71 0.00 0.00 0.00 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 2.22 0.00 55 V 8.05 4.34 1.81 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 -0.24 0.00 0.00 0.85 0.00 0.00 56 I 8.74 4.55 2.05 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.85 1.13 0.00 0.00 57 Q 8.79 4.89 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.19 0.00 0.00 0.00 0.00 0.00 2.55 2.44 0.00 58 T 8.41 4.80 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 1.28 0.00 0.00 59 T 7.98 3.63 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 0.81 0.00 0.00 60 D 7.80 4.41 0.00 2.52 2.38 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 61 D 8.82 4.76 0.00 2.56 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.30 4.67 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 1.18 0.00 0.00 63 K 7.59 4.73 0.00 1.69 1.50 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.49 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.26 1.67 7.81 64 V 8.40 4.84 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 0.99 0.00 0.00 1.00 0.00 0.00 65 L 8.41 4.80 0.00 2.41 1.84 1.23 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 66 C 8.74 5.61 0.00 2.97 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 67 R 8.12 4.45 0.00 1.40 1.29 0.00 2.58 0.00 0.00 2.97 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 68 N 7.95 5.04 0.00 2.58 2.73 0.00 0.00 6.41 8.35 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 69 E 8.97 3.81 0.00 1.87 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 2.22 2.24 0.00 70 E 7.87 3.85 0.00 1.86 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 71 G 8.40 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 0.00 0.00 0.00 72 K 7.52 4.74 0.00 1.74 1.54 0.00 1.61 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.48 7.81 73 Y 8.49 4.55 0.00 2.15 2.33 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 74 G 8.50 4.30 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 0.00 75 Y 8.76 5.66 0.00 3.44 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 8.28 4.64 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 1.18 0.00 0.00 1.15 0.00 0.00 77 L 8.12 4.21 0.00 1.51 0.89 0.89 0.85 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 78 R 8.04 3.75 0.00 1.81 2.15 0.00 3.43 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 79 S 8.17 4.15 0.00 3.75 3.98 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 80 Y 6.03 4.63 0.00 3.07 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 81 L 7.49 4.26 0.00 1.58 1.65 0.98 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.33 4.42 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 83 D 8.62 4.58 0.00 2.69 2.64 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