NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5451 8.1627 120.6116 55.3324 34.1761 173.5943 2 K 4.4593 8.2578 127.0130 54.7014 33.7808 169.8667 3 V 4.6289 9.6200 129.5660 61.1338 34.2602 173.6620 4 L 4.7882 8.7264 127.8819 53.0546 44.0180 174.9377 5 Y 4.9444 7.9429 121.5844 56.2222 40.3482 175.3285 6 F 4.8881 8.2628 119.5966 56.2069 44.5865 176.7141 7 A 3.6040 8.4518 124.9580 53.3821 17.3502 180.1820 8 E 4.0044 8.8957 116.7845 61.6157 29.3660 178.4951 9 I 3.6330 7.7237 119.5635 64.0573 37.1322 177.8385 10 K 3.9120 7.7731 120.0666 59.8763 31.7079 178.5367 11 D 4.3265 7.7535 117.4515 57.2602 40.8241 178.5020 12 I 3.8076 7.6197 119.4489 64.2281 37.0210 177.8742 13 L 3.9361 7.8399 117.6028 54.3526 41.3035 177.9124 14 Q 4.0255 7.7832 116.6977 55.9230 26.9161 173.1062 15 K 4.5040 7.3483 114.4732 55.9155 35.5718 175.1337 16 A 4.6604 8.5105 121.1589 52.7797 21.2123 176.3424 17 Q 5.4947 8.1328 111.0378 55.1201 32.0626 173.5398 18 E 4.7872 8.5147 116.4799 55.5279 33.4605 172.7366 19 D 5.3968 8.6256 119.6430 52.6703 43.1558 175.2925 20 I 4.6437 8.5676 126.1165 59.3826 40.3431 175.3702 21 V 3.7927 8.6098 127.3754 62.3594 31.9446 174.7937 22 L 4.7463 8.2533 127.2446 52.8890 43.4858 176.2494 23 E 4.0995 9.0601 123.9887 58.8933 29.5820 176.5634 24 Q 4.5691 7.5841 112.4126 53.5880 32.0458 173.9283 25 A 4.4142 8.4772 119.7270 52.3638 18.8922 176.9818 26 L 5.1154 8.7013 121.4009 52.7079 45.5951 176.4911 27 T 4.0320 8.9554 112.3766 61.5376 69.7450 175.3798 28 V 3.6400 8.9447 123.9970 66.6214 31.3820 178.3447 29 Q 3.9740 8.1942 118.7913 59.5086 28.8748 178.3148 30 Q 4.1455 8.1518 118.9600 58.9223 28.6398 178.8320 31 F 4.1968 8.3442 121.6825 61.2377 39.4012 176.9165 32 E 3.5002 8.3403 118.2739 59.4665 29.3921 178.9010 33 D 4.4358 8.1043 118.7771 57.5082 40.8525 178.9335 34 L 3.8766 7.8682 120.5814 57.9468 42.1018 178.6062 35 L 3.7628 7.6761 120.6231 58.3314 41.7282 179.0959 36 F 4.7765 7.7829 116.5856 60.4857 38.8488 177.0656 37 E 4.1088 7.9687 118.0903 59.2124 29.5419 178.5152 38 R 3.9129 8.0126 118.0593 58.0371 31.6716 176.1439 39 Y 5.0203 8.1612 116.3822 54.7455 38.0445 173.8246 40 P 4.4220 0.0000 0.0000 65.6274 32.0239 178.1992 41 Q 4.4183 8.1545 112.8126 56.6728 28.6562 176.0447 42 I 4.7134 7.9381 109.8563 60.8401 38.6025 176.3162 43 N 3.7646 8.0176 117.6900 54.4289 37.3418 175.2960 44 N 4.6185 7.8959 115.1648 53.0913 39.2920 174.6368 45 K 4.4937 7.6982 118.5384 55.0542 33.3635 176.3710 46 K 4.3567 8.5185 123.0877 55.6095 33.2443 176.0032 47 F 5.1950 7.6445 116.2127 56.1063 40.6055 173.6605 48 Q 4.6097 9.1111 120.1517 55.2610 30.8235 174.5169 49 V 5.1146 8.4958 119.3692 61.2732 34.6944 173.8394 50 A 5.1731 9.1530 128.7800 50.0979 21.9641 175.0617 51 V 4.5389 8.6864 122.6253 61.4175 34.0946 175.5982 52 N 3.9094 9.6664 126.9377 54.6684 36.5644 173.9116 53 E 3.7285 8.1997 109.1193 57.3801 27.5074 174.7022 54 E 4.5491 7.6693 116.6644 54.2134 33.1162 175.6148 55 F 4.9736 8.2864 120.7553 57.9507 39.8230 175.0904 56 V 4.6776 8.0370 113.4811 59.7433 35.9928 175.2818 57 Q 4.3227 8.7384 121.4197 55.7268 29.7573 177.7537 58 K 4.1151 8.7984 119.6776 58.5620 32.4041 178.7971 59 S 4.5376 7.7982 111.7014 57.8979 63.5700 173.6700 60 D 4.5870 7.6036 121.1866 54.2648 42.0936 175.4811 61 F 5.0348 8.6424 119.7346 56.8750 40.7559 175.1353 62 I 4.4209 9.2103 124.6247 59.7926 39.1359 175.8419 63 Q 4.5555 9.5197 126.7188 54.5321 29.5943 175.3987 64 P 4.2628 0.0000 0.0000 65.6474 31.4113 177.4470 65 N 4.6076 7.9245 112.6595 53.9442 38.8395 174.9286 66 D 4.6965 7.8020 118.7117 54.6571 42.5885 175.1506 67 T 4.8230 8.8660 117.4077 62.0821 70.8321 173.9901 68 V 4.7860 8.7415 126.2565 60.9169 34.3875 173.8422 69 A 5.2058 9.0655 129.9279 50.0645 21.9080 174.9854 70 L 4.6876 8.7624 123.2203 54.2651 42.5858 176.9829 71 I 4.4486 8.9507 127.0975 59.0315 38.2024 174.0855 72 P 5.0964 0.0000 0.0000 61.2065 32.4449 174.7749 73 P 4.1242 0.0000 0.0000 63.4293 31.5918 176.8034 74 V 4.1201 8.2583 116.6315 61.1682 32.4113 176.1267 75 S 4.6884 8.2523 117.3728 57.7887 63.2846 174.6686 76 G 3.7325 8.1085 111.1280 46.8034 0.0000 174.6252 77 G 4.1138 8.6031 107.5837 45.9764 0.0000 173.5982 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 4.55 0.00 2.24 2.04 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 2 K 8.26 4.46 0.00 1.84 1.61 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.42 7.81 3 V 9.62 4.63 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 0.64 0.00 0.00 1.06 0.00 0.00 4 L 8.73 4.79 0.00 1.51 1.23 0.99 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 5 Y 7.94 4.94 0.00 2.79 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 6 F 8.26 4.89 0.00 3.15 2.93 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 0.00 0.00 0.00 7 A 8.45 3.60 1.23 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 0.00 0.00 8 E 8.90 4.00 0.00 2.08 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 2.39 2.42 0.00 9 I 7.72 3.63 2.03 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 1.52 0.52 0.74 0.00 0.00 10 K 7.77 3.91 0.00 1.85 2.02 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.59 7.81 11 D 7.75 4.33 0.00 2.87 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 0.00 12 I 7.62 3.81 1.75 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.58 0.84 0.00 0.00 13 L 7.84 3.94 0.00 1.23 1.05 -0.47 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 7.78 4.03 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.62 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 15 K 7.35 4.50 0.00 1.70 1.70 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.43 7.81 16 A 8.51 4.66 1.19 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 0.00 0.00 17 Q 8.13 5.49 0.00 2.04 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.71 0.00 0.00 0.00 0.00 0.00 2.20 2.18 0.00 18 E 8.51 4.79 0.00 2.12 2.18 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 2.55 2.47 0.00 19 D 8.63 5.40 0.00 2.70 2.60 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 20 I 8.57 4.64 1.99 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.90 0.99 0.00 0.00 21 V 8.61 3.79 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 0.80 0.00 0.00 0.94 0.00 0.00 22 L 8.25 4.75 0.00 1.67 1.78 0.91 1.09 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 23 E 9.06 4.10 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 24 Q 7.58 4.57 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 25 A 8.48 4.41 1.26 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 0.00 0.00 0.00 26 L 8.70 5.12 0.00 1.70 1.65 1.07 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.96 4.03 4.16 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 0.00 0.00 0.00 0.85 0.00 0.00 28 V 8.94 3.64 2.22 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 1.09 0.00 0.00 1.03 0.00 0.00 29 Q 8.19 3.97 0.00 2.31 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 30 Q 8.15 4.15 0.00 2.39 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.59 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 31 F 8.34 4.20 0.00 3.14 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 32 E 8.34 3.50 0.00 2.17 1.65 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 2.51 2.67 0.00 33 D 8.10 4.44 0.00 2.82 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 34 L 7.87 3.88 0.00 1.81 1.68 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.68 3.76 0.00 1.35 1.25 0.85 0.55 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 36 F 7.78 4.78 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.97 4.11 0.00 2.02 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 2.29 2.31 0.00 38 R 8.01 3.91 0.00 1.62 1.65 0.00 2.78 0.00 0.00 2.63 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.19 0.00 39 Y 8.16 5.02 0.00 3.17 2.73 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 40 P 0.00 4.42 0.00 2.21 2.15 0.00 3.66 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 41 Q 8.15 4.42 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.23 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 42 I 7.94 4.71 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.08 0.85 0.00 0.00 43 N 8.02 3.76 0.00 2.02 2.60 0.00 0.00 6.80 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 44 N 7.90 4.62 0.00 2.67 2.86 0.00 0.00 6.95 7.61 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 45 K 7.70 4.49 0.00 2.15 1.92 0.00 1.89 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.62 7.81 46 K 8.52 4.36 0.00 1.77 1.71 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.42 7.81 47 F 7.64 5.20 0.00 3.18 3.09 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 0.00 0.00 0.00 48 Q 9.11 4.61 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 49 V 8.50 5.11 2.25 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 1.10 0.00 0.00 1.32 0.00 0.00 50 A 9.15 5.17 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.69 4.54 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 0.93 0.00 0.00 0.88 0.00 0.00 52 N 9.67 3.91 0.00 2.79 2.79 0.00 0.00 7.10 7.25 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 53 E 8.20 3.73 0.00 2.04 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 2.14 2.26 0.00 54 E 7.67 4.55 0.00 2.07 1.75 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 2.15 2.35 0.00 55 F 8.29 4.97 0.00 2.98 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 56 V 8.04 4.68 2.22 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 0.70 0.00 0.00 1.05 0.00 0.00 57 Q 8.74 4.32 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 58 K 8.80 4.12 0.00 1.80 1.84 0.00 1.63 0.00 0.00 2.06 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.42 7.81 59 S 7.80 4.54 0.00 3.84 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 60 D 7.60 4.59 0.00 2.75 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 61 F 8.64 5.03 0.00 2.95 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 62 I 9.21 4.42 1.89 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.71 0.72 0.00 0.00 63 Q 9.52 4.56 0.00 2.26 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.76 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 64 P 0.00 4.26 0.00 2.03 2.28 0.00 3.65 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 2.02 2.12 0.00 65 N 7.92 4.61 0.00 2.69 2.84 0.00 0.00 6.93 8.06 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 66 D 7.80 4.70 0.00 2.70 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.87 4.82 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 1.17 0.00 0.00 68 V 8.74 4.79 1.76 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 0.51 0.00 0.00 0.54 0.00 0.00 69 A 9.07 5.21 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 70 L 8.76 4.69 0.00 1.53 1.31 0.49 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.95 4.45 2.15 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 1.42 1.31 1.09 0.00 0.00 72 P 0.00 5.10 0.00 2.04 2.12 0.00 3.86 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 73 P 0.00 4.12 0.00 2.07 2.07 0.00 3.76 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 74 V 8.26 4.12 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 0.83 0.00 0.00 0.95 0.00 0.00 75 S 8.25 4.69 0.00 3.92 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 76 G 8.11 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 0.00 0.00 0.00 77 G 8.60 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 0.00 0.00 0.00