NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.7023 8.0501 120.3681 62.7023 32.3670 174.4394 2 A 4.1652 7.1723 127.1924 48.2180 21.0323 176.5835 3 Y 4.0175 7.7241 117.9629 59.7995 39.5558 176.1575 4 W 4.4026 6.9645 117.5995 59.0813 28.5816 176.5589 5 R 4.6224 6.3419 116.8292 55.8329 30.1445 177.5065 6 Q 3.9794 8.6041 120.4468 56.9199 28.9844 173.7400 7 A 4.3973 8.3403 118.1727 51.9411 19.2516 177.5604 8 G 4.1053 8.2759 104.3946 45.1727 0.0000 174.5037 9 L 4.2967 7.9466 119.8104 54.5913 42.3482 176.3541 10 S 4.9802 8.2734 116.1309 56.8679 66.9930 174.4410 11 Y 3.4922 8.4571 120.9408 60.5941 38.4314 177.0807 12 I 3.6080 7.8078 120.3671 64.4861 37.2822 178.1782 13 R 3.9709 7.4753 119.0899 59.2442 29.8242 178.0788 14 Y 3.5224 7.0957 119.5590 60.5418 38.7339 177.6004 15 S 3.7856 7.8020 114.3581 61.2007 62.3271 175.6238 16 Q 3.7976 8.0942 122.4994 59.3630 28.7605 178.5504 17 I 3.5610 7.3545 120.0998 64.5658 37.3091 178.2177 18 C 3.8550 7.9434 117.4992 62.7749 27.7997 176.1487 19 A 3.9397 8.3264 122.5588 54.9353 17.9199 179.6246 20 K 3.8289 8.1399 117.9862 59.3249 32.1162 178.7053 21 A 3.9181 7.9584 121.1340 55.4692 18.1082 179.6067 22 V 3.5182 7.3152 114.4978 66.3438 31.6143 178.2468 23 R 4.0271 7.6261 117.7337 59.4253 29.8446 178.6904 24 D 4.4264 8.0855 117.0782 56.4815 40.7806 177.7136 25 A 4.6212 7.2344 120.0796 52.9852 19.8446 176.9977 26 L 4.5927 8.0080 122.2847 54.5855 44.3323 175.7776 27 K 4.5433 8.3208 116.7386 55.6428 35.2156 174.4988 28 T 4.0594 8.6897 119.4430 66.0470 67.9427 173.7413 29 E 5.9800 7.7876 135.0000 57.2704 29.1917 177.4405 30 F 4.8854 7.7650 113.3141 57.1852 41.9062 175.4066 31 K 4.1141 8.2644 121.4065 58.4495 32.7886 178.5634 32 A 3.9882 8.1131 120.7438 55.6389 18.2856 179.0075 33 N 4.2689 8.3648 114.0695 56.3520 38.2703 176.9230 34 A 4.0079 7.4422 120.5726 55.7355 18.5575 179.3626 35 M 4.2275 8.1447 116.7551 58.3115 31.8322 179.7984 36 K 4.3476 7.4527 114.5653 56.6272 31.4669 176.6008 37 T 4.2570 8.6560 116.2314 64.4600 73.0012 172.5777 38 S 3.6361 8.7738 113.3812 59.8297 61.8090 171.9417 39 G 3.9259 7.6440 108.4194 47.5299 0.0000 174.2922 40 S 4.5547 8.2773 114.4068 59.4328 64.2054 176.2934 41 T 3.9810 8.5810 118.9790 67.7325 68.2437 174.3553 42 I 3.5646 7.1995 119.1511 60.5792 37.8806 174.9227 43 K 4.6064 8.2065 124.1416 54.4266 35.1030 175.8128 44 I 4.0609 8.2404 126.3639 61.2807 37.8312 176.4966 45 V 4.2669 7.9607 123.2524 60.4863 31.3950 172.4740 46 K 4.4726 8.1478 121.1795 54.6455 33.9595 177.6346 47 V 3.9766 8.1037 122.7054 63.0066 31.6520 174.2489 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 V 8.05 3.70 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.84 0.00 0.00 2 A 7.17 4.17 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 7.72 4.02 0.00 3.09 3.08 0.00 0.00 0.00 0.00 0.00 0.00 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 W 6.96 4.40 0.00 3.59 3.37 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 5 R 6.34 4.62 0.00 1.40 1.72 0.00 3.35 0.00 0.00 3.44 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.12 0.00 6 Q 8.60 3.98 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.20 2.40 0.00 7 A 8.34 4.40 1.47 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 8 G 8.28 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 9 L 7.95 4.30 0.00 2.20 1.78 1.04 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.27 4.98 0.00 4.13 4.07 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.46 3.49 0.00 3.18 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 12 I 7.81 3.61 1.85 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.83 0.87 0.00 0.00 13 R 7.48 3.97 0.00 1.92 2.09 0.00 3.08 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 14 Y 7.10 3.52 0.00 1.83 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 0.00 0.00 0.00 15 S 7.80 3.79 0.00 3.33 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.09 3.80 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 17 I 7.35 3.56 1.70 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.73 0.77 0.00 0.00 18 C 7.94 3.85 0.00 2.72 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 19 A 8.33 3.94 1.28 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 0.00 0.00 0.00 20 K 8.14 3.83 0.00 1.79 1.88 0.00 1.62 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.42 7.81 21 A 7.96 3.92 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 22 V 7.32 3.52 2.17 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 0.83 0.00 0.00 0.91 0.00 0.00 23 R 7.63 4.03 0.00 2.06 1.95 0.00 3.17 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.90 0.00 24 D 8.09 4.43 0.00 2.75 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.23 4.62 1.28 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 0.00 0.00 0.00 26 L 8.01 4.59 0.00 1.74 1.73 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.32 4.54 0.00 1.94 1.91 0.00 1.63 0.00 0.00 1.88 0.00 0.00 2.90 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.54 1.73 7.81 28 T 8.69 4.06 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 1.19 0.00 0.00 29 E 7.79 5.98 0.00 1.87 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.74 0.00 30 F 7.76 4.89 0.00 3.05 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 31 K 8.26 4.11 0.00 1.88 1.82 0.00 1.63 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.51 7.81 32 A 8.11 3.99 1.30 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 33 N 8.36 4.27 0.00 2.79 2.93 0.00 0.00 6.87 7.54 0.00 0.00 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 A 7.44 4.01 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 35 M 8.14 4.23 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.57 0.00 36 K 7.45 4.35 0.00 1.79 1.83 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.41 7.81 37 T 8.66 4.26 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 1.21 0.00 0.00 38 S 8.77 3.64 0.00 4.04 3.93 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 39 G 7.64 3.93 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 0.00 0.00 0.00 40 S 8.28 4.55 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 41 T 8.58 3.98 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 1.21 0.00 0.00 42 I 7.20 3.56 1.87 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 1.30 0.72 0.91 0.00 0.00 43 K 8.21 4.61 0.00 1.63 1.62 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.48 7.81 44 I 8.24 4.06 1.87 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 1.30 0.92 0.91 0.00 0.00 45 V 7.96 4.27 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.93 0.00 0.00 46 K 8.15 4.47 0.00 1.90 1.81 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.40 7.81 47 V 8.10 3.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.93 0.00 0.00