NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5163 8.3049 120.3269 54.7851 33.3820 174.5716 2 K 4.4408 7.3878 119.8822 57.4843 38.8797 177.6831 3 A 4.0037 8.0608 121.3925 54.5626 19.7965 178.6013 4 K 4.1006 8.1538 116.5668 59.7133 32.6687 178.0714 5 E 3.9850 8.2780 116.4672 59.1927 29.5975 176.9327 6 L 3.6408 7.6202 120.1467 56.6175 42.1524 175.0929 7 R 3.7069 9.5928 127.4264 55.7933 27.0048 175.2223 8 E 4.5144 8.1595 116.0128 55.8340 31.6005 173.4859 9 K 4.1872 8.2590 120.2898 56.9173 32.7255 177.2294 10 S 4.3070 8.4926 120.9686 60.4272 62.7651 176.3388 11 V 3.9159 7.5647 120.7291 65.4219 31.8088 176.9656 12 E 3.9325 8.2019 117.6643 59.9846 29.2879 178.9194 13 E 3.9648 8.3531 118.5941 59.2957 29.6724 178.4208 14 L 4.1131 7.6634 117.9879 57.0000 41.9508 177.9390 15 N 4.5393 8.4052 116.0103 56.1698 39.1333 177.1989 16 T 3.8394 7.7914 116.5798 67.2471 68.6725 175.2494 17 E 3.9163 8.2067 119.3860 60.2791 29.4902 178.4547 18 L 3.9636 8.1557 119.6939 58.3686 42.3182 179.8099 19 L 3.9809 8.2680 119.1234 58.3466 41.5531 178.2621 20 N 4.1521 9.2485 116.4356 57.0065 38.2009 176.7765 21 L 3.9498 7.9606 120.7934 57.5938 42.2536 178.8684 22 L 3.4942 8.9132 114.8208 59.3242 43.7328 181.0343 23 R 4.2404 7.1210 114.6168 57.6620 29.4668 179.2220 24 E 3.4175 8.4838 124.3421 60.3105 30.6725 178.0552 25 Q 4.1773 8.7766 125.0789 57.9006 29.7258 177.3154 26 F 4.5339 8.2110 120.3955 60.7976 40.5148 177.0455 27 N 4.3991 7.6779 117.7252 56.2800 38.2977 177.1434 28 L 3.9238 8.4850 120.7043 57.9654 41.7375 179.6236 29 R 3.7717 7.7098 117.7048 59.8255 29.8252 178.3490 30 M 3.8422 7.7449 117.4984 58.0034 32.2442 178.4474 31 Q 4.0723 8.9864 121.4136 58.5262 29.1404 177.5142 32 A 4.0817 7.9905 120.4399 55.5299 18.6607 179.1776 33 A 4.0627 8.1737 118.9126 54.5240 18.1726 177.9599 34 S 4.8822 7.9509 112.7496 58.7495 64.4040 176.5473 35 G 4.0677 7.7667 109.9202 47.2017 0.0000 175.2685 36 Q 4.3810 7.4965 120.0616 54.8386 29.1987 173.0291 37 L 3.6151 8.5546 132.4994 55.9528 41.0491 174.8918 38 Q 4.0729 8.7919 125.3864 58.4645 28.9839 177.2448 39 Q 4.4509 7.7001 118.4658 54.0775 28.0135 174.8705 40 S 4.2472 8.6143 121.5579 62.0899 63.6111 176.8607 41 H 4.1214 8.4966 116.8326 58.4782 27.5623 176.4442 42 L 3.8233 7.9485 122.2001 57.4945 41.2619 179.1603 43 L 3.8390 7.6210 118.0520 58.6733 41.7557 178.6766 44 K 3.6980 7.6994 115.9153 59.6088 31.7285 177.2472 45 Q 4.2922 7.1112 118.3794 57.2728 29.1434 175.4299 46 V 3.5815 8.1567 120.4708 63.6406 31.2518 172.9927 47 R 4.1514 8.0021 120.0834 59.8999 30.3257 178.8835 48 R 4.0702 8.2637 117.6276 59.2118 29.9960 178.4636 49 D 4.3163 8.1870 118.2236 57.6519 40.9054 178.7751 50 V 3.5168 8.7371 119.2885 66.2132 31.3280 177.7053 51 A 3.9941 7.8451 120.0423 55.5176 18.2740 179.9146 52 R 3.8429 7.8318 115.8665 59.3474 29.9948 179.0933 53 V 3.6002 7.8838 117.4286 66.0248 31.4739 177.6946 54 K 4.2376 7.8558 116.6614 58.8120 32.3326 179.0092 55 T 3.9401 8.0291 116.5634 65.6802 68.5880 174.4038 56 L 4.0672 7.2269 120.6914 56.2653 42.4011 176.5748 57 L 4.1067 8.9777 123.0012 54.8450 41.5945 174.7626 58 N 4.9421 7.6491 113.8834 53.0452 39.0050 174.5116 59 E 4.6338 7.9135 112.7592 56.4627 31.5809 177.1438 60 K 3.9351 8.3335 119.9764 59.0139 32.5461 176.7782 61 A 4.3804 7.6432 121.0848 51.3668 19.9177 179.0497 62 G 3.4534 8.8122 106.1007 46.7365 0.0000 173.9680 63 A 4.1984 8.8256 127.5343 52.4061 19.3631 175.5164 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 8.30 4.52 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.71 0.00 2 K 7.39 4.44 0.00 1.88 1.73 0.00 1.56 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.56 7.81 3 A 8.06 4.00 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 4 K 8.15 4.10 0.00 1.73 1.84 0.00 1.78 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 1.42 1.46 7.81 5 E 8.28 3.98 0.00 2.00 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 2.31 2.29 0.00 6 L 7.62 3.64 0.00 1.72 1.67 0.95 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 7 R 9.59 3.71 0.00 1.97 1.99 0.00 3.37 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.66 0.00 8 E 8.16 4.51 0.00 2.05 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 0.00 2.16 2.31 0.00 9 K 8.26 4.19 0.00 2.01 1.94 0.00 1.65 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.62 7.81 10 S 8.49 4.31 0.00 3.88 3.90 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 11 V 7.56 3.92 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 1.08 0.00 0.00 0.93 0.00 0.00 12 E 8.20 3.93 0.00 2.34 2.01 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 2.41 2.41 0.00 13 E 8.35 3.96 0.00 2.32 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 0.00 2.31 2.33 0.00 14 L 7.66 4.11 0.00 2.02 1.69 0.92 0.62 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 15 N 8.41 4.54 0.00 2.99 2.82 0.00 0.00 6.89 7.08 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 16 T 7.79 3.84 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 1.25 0.00 0.00 17 E 8.21 3.92 0.00 2.09 2.07 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 2.32 2.41 0.00 18 L 8.16 3.96 0.00 1.87 1.66 0.90 0.67 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 19 L 8.27 3.98 0.00 2.00 1.70 0.96 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 20 N 9.25 4.15 0.00 2.81 2.83 0.00 0.00 7.04 6.62 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 21 L 7.96 3.95 0.00 1.64 1.77 0.93 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.91 3.49 0.00 1.87 1.60 0.86 0.98 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 R 7.12 4.24 0.00 2.00 1.37 0.00 3.38 0.00 0.00 3.19 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 24 E 8.48 3.42 0.00 2.15 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 25 Q 8.78 4.18 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 26 F 8.21 4.53 0.00 3.14 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 27 N 7.68 4.40 0.00 2.93 2.91 0.00 0.00 7.08 6.62 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 28 L 8.48 3.92 0.00 1.78 1.70 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.71 3.77 0.00 1.89 1.66 0.00 3.06 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 30 M 7.74 3.84 0.00 1.85 2.02 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 1.35 0.00 31 Q 8.99 4.07 0.00 2.09 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.22 0.00 32 A 7.99 4.08 1.32 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 0.00 0.00 0.00 33 A 8.17 4.06 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.95 4.88 0.00 4.08 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 0.00 35 G 7.77 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 0.00 0.00 0.00 36 Q 7.50 4.38 0.00 2.16 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.07 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 37 L 8.55 3.62 0.00 1.82 1.68 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.79 4.07 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 39 Q 7.70 4.45 0.00 2.34 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.02 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 40 S 8.61 4.25 0.00 4.03 4.18 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 0.00 0.00 0.00 41 H 8.50 4.12 0.00 3.40 3.63 0.00 5.48 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.95 3.82 0.00 1.88 1.65 0.71 0.59 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 43 L 7.62 3.84 0.00 1.67 1.71 0.90 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.70 3.70 0.00 1.92 1.88 0.00 1.53 0.00 0.00 1.70 0.00 0.00 3.16 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.52 7.81 45 Q 7.11 4.29 0.00 2.31 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 5.47 0.00 0.00 0.00 0.00 0.00 2.61 2.27 0.00 46 V 8.16 3.58 2.07 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 0.91 0.00 0.00 0.92 0.00 0.00 47 R 8.00 4.15 0.00 2.16 2.12 0.00 3.31 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 48 R 8.26 4.07 0.00 1.85 1.96 0.00 3.36 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 49 D 8.19 4.32 0.00 2.86 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 50 V 8.74 3.52 2.35 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 1.01 0.00 0.00 0.97 0.00 0.00 51 A 7.85 3.99 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 52 R 7.83 3.84 0.00 1.94 1.99 0.00 3.29 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.87 0.00 53 V 7.88 3.60 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 0.83 0.00 0.00 0.99 0.00 0.00 54 K 7.86 4.24 0.00 1.78 1.85 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.71 7.81 55 T 8.03 3.94 4.43 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 1.21 0.00 0.00 56 L 7.23 4.07 0.00 1.80 1.71 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.98 4.11 0.00 1.96 2.08 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 58 N 7.65 4.94 0.00 2.70 2.83 0.00 0.00 6.97 8.83 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 59 E 7.91 4.63 0.00 2.04 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 2.21 2.34 0.00 60 K 8.33 3.94 0.00 1.75 1.93 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.43 7.81 61 A 7.64 4.38 1.32 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 0.00 0.00 0.00 62 G 8.81 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.83 4.20 1.18 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 0.00 0.00 0.00 0.00 0.00