NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5482 8.1633 120.3272 54.9864 34.5735 176.7978 2 K 3.9385 8.3332 120.3678 57.2220 31.2603 177.9081 3 A 4.0481 10.0024 133.8377 55.3996 19.9443 179.6770 4 K 3.9250 7.8578 114.6015 59.8622 32.5520 177.7102 5 E 4.0682 8.0822 117.6939 59.4514 29.7318 178.5384 6 L 3.7273 7.2691 115.6866 56.6970 42.4319 177.4207 7 R 3.7338 8.6208 121.4956 57.2973 27.6623 175.2114 8 E 4.5126 7.4904 113.3025 54.9256 31.8389 171.2632 9 K 3.6941 8.0551 123.2956 56.0751 31.7171 175.8216 10 S 4.0096 8.1417 119.4868 61.7346 62.7531 176.6020 11 V 3.5361 7.6806 122.8839 65.9600 31.4456 177.4849 12 E 4.0196 8.2860 118.2234 59.0393 28.9202 178.7679 13 E 4.2809 8.1255 118.5266 58.8232 29.3954 178.7410 14 L 3.9803 7.9962 121.0932 58.4634 41.9558 178.6601 15 N 4.5796 7.6689 113.0497 55.2692 38.4185 176.9191 16 T 4.1745 8.1539 118.4149 65.6343 68.6246 176.4081 17 E 5.1080 7.9502 121.0027 58.1020 29.9247 178.2863 18 L 3.9523 8.0407 120.8555 58.0792 41.3912 178.9116 19 L 3.9614 7.4930 119.0970 57.9639 41.6507 178.6682 20 N 4.1493 7.8636 115.8223 57.1818 38.6415 176.8718 21 L 4.1882 7.9542 119.2643 56.6866 41.6197 176.2858 22 L 3.8455 8.0166 126.4543 56.3457 43.2184 176.4795 23 R 4.2777 9.0322 129.7288 57.7743 28.5803 178.6272 24 E 4.1131 7.4057 114.8767 58.3439 30.1785 177.4977 25 Q 4.3733 7.9427 117.2492 56.8533 32.8540 176.2757 26 F 4.4614 8.4281 119.2450 61.6417 39.2809 176.6466 27 N 3.9988 8.5652 116.2224 56.2208 38.3457 177.1212 28 L 4.2042 7.9460 119.6305 58.2133 41.5261 179.8736 29 R 4.0650 8.1775 117.1201 58.7902 29.6510 178.9693 30 M 4.0927 7.5335 118.0726 57.7743 32.6143 177.7666 31 Q 4.4120 9.0180 121.8951 58.7415 28.9998 178.4078 32 A 4.3637 8.0298 121.3457 54.4876 18.5225 178.8168 33 A 4.2708 7.2941 114.0982 52.9407 19.2616 177.8738 34 S 4.6295 7.7680 113.7354 57.8779 65.0525 175.2413 35 G 3.6869 7.7181 117.3037 45.1157 0.0000 175.8087 36 Q 2.8595 9.4403 124.6465 56.7358 27.8314 172.4566 37 L 3.5280 8.3467 119.7954 57.5262 41.1638 173.5105 38 Q 5.5285 7.9561 128.6488 58.3019 29.1479 174.5047 39 Q 4.4015 7.2257 118.9279 55.4563 27.8240 177.4124 40 S 4.2618 7.8160 115.7306 61.4418 63.9053 175.5804 41 H 4.4295 8.2244 118.1627 58.2231 27.9192 177.1282 42 L 3.9430 6.9241 121.4243 57.7356 41.7354 178.4693 43 L 4.1186 8.2249 119.8170 57.3876 41.5779 179.1858 44 K 3.8706 7.8852 119.1612 59.4578 32.2219 176.9555 45 Q 4.6303 7.7222 116.3158 56.1109 31.2169 174.9303 46 V 3.6169 8.9699 123.6468 64.5712 31.5384 174.2056 47 R 4.2318 7.3030 117.6834 59.6131 30.2799 180.0298 48 R 4.6111 7.6580 117.4659 56.0760 30.0083 176.7075 49 D 4.7748 7.9120 115.1235 54.7457 47.3800 178.3181 50 V 3.5933 8.9121 119.2492 65.5882 30.5745 177.8586 51 A 3.9558 7.9452 120.8112 54.9391 18.2884 179.3104 52 R 4.1921 7.9561 116.9504 58.8187 30.0009 179.1118 53 V 3.5638 7.6842 116.0079 66.1796 31.6975 178.0828 54 K 4.1337 8.1612 117.8614 59.3218 31.6167 179.5720 55 T 3.8513 9.1459 116.7022 66.1298 68.4233 175.0857 56 L 4.4568 8.0653 118.8188 55.2629 42.5195 176.5065 57 L 4.1367 9.2533 125.4489 56.6666 42.4335 176.0163 58 N 4.2219 7.5867 115.7724 56.6720 38.8034 176.7688 59 E 4.2494 8.2490 117.7388 58.9610 29.6604 178.5429 60 K 4.2428 7.5896 120.1960 57.9071 32.0435 174.8880 61 A 4.1476 8.1453 121.8548 54.6431 17.6528 177.4862 62 G 4.9660 8.0304 123.5471 47.9260 0.0000 171.0376 63 A 4.0926 7.4155 127.5744 52.8900 19.7337 175.7925 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 2.25 2.13 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.63 0.00 2 K 8.33 3.94 0.00 1.94 1.57 0.00 1.57 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.56 7.81 3 A 10.00 4.05 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 3.93 0.00 1.65 1.85 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.48 7.81 5 E 8.08 4.07 0.00 1.98 2.04 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 2.66 2.42 0.00 6 L 7.27 3.73 0.00 1.89 1.65 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.62 3.73 0.00 1.87 1.90 0.00 3.24 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 8 E 7.49 4.51 0.00 2.01 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.32 0.00 9 K 8.06 3.69 0.00 2.05 1.79 0.00 1.64 0.00 0.00 1.87 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.47 7.81 10 S 8.14 4.01 0.00 4.05 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 V 7.68 3.54 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 0.89 0.00 0.00 0.93 0.00 0.00 12 E 8.29 4.02 0.00 2.43 2.13 0.00 0.00 0.00 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 2.32 0.00 13 E 8.13 4.28 0.00 2.19 2.23 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 2.66 2.25 0.00 14 L 8.00 3.98 0.00 1.82 1.92 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 15 N 7.67 4.58 0.00 2.70 2.86 0.00 0.00 7.18 7.33 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 16 T 8.15 4.17 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 1.21 0.00 0.00 17 E 7.95 5.11 0.00 2.18 2.20 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 2.27 2.42 0.00 18 L 8.04 3.95 0.00 1.70 1.90 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.49 3.96 0.00 2.12 2.17 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 20 N 7.86 4.15 0.00 2.93 2.91 0.00 0.00 7.12 7.97 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 21 L 7.95 4.19 0.00 1.82 1.67 0.93 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.02 3.85 0.00 1.66 1.81 0.99 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 23 R 9.03 4.28 0.00 2.08 2.25 0.00 3.58 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 24 E 7.41 4.11 0.00 2.38 2.03 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 0.00 2.36 2.28 0.00 25 Q 7.94 4.37 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.90 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 26 F 8.43 4.46 0.00 3.06 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 27 N 8.57 4.00 0.00 2.85 2.77 0.00 0.00 7.12 6.60 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 28 L 7.95 4.20 0.00 1.86 1.73 0.90 1.07 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 29 R 8.18 4.06 0.00 2.20 2.07 0.00 3.16 0.00 0.00 3.35 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.90 0.00 30 M 7.53 4.09 0.00 1.79 1.95 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.14 0.00 31 Q 9.02 4.41 0.00 2.15 2.07 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 2.33 2.27 0.00 32 A 8.03 4.36 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 33 A 7.29 4.27 1.41 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 34 S 7.77 4.63 0.00 4.08 3.76 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 35 G 7.72 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 0.00 0.00 0.00 36 Q 9.44 2.86 0.00 2.35 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 5.77 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 37 L 8.35 3.53 0.00 1.71 1.65 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 7.96 5.53 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 7.71 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 39 Q 7.23 4.40 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.27 0.00 40 S 7.82 4.26 0.00 4.05 4.12 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 41 H 8.22 4.43 0.00 3.45 3.62 0.00 5.65 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 6.92 3.94 0.00 1.48 1.90 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.22 4.12 0.00 1.96 1.70 0.92 0.76 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 44 K 7.89 3.87 0.00 1.88 2.09 0.00 1.61 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.61 7.81 45 Q 7.72 4.63 0.00 2.26 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 5.74 0.00 0.00 0.00 0.00 0.00 2.42 2.59 0.00 46 V 8.97 3.62 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 1.02 0.00 0.00 1.07 0.00 0.00 47 R 7.30 4.23 0.00 2.04 1.95 0.00 3.18 0.00 0.00 3.10 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 48 R 7.66 4.61 0.00 1.87 1.92 0.00 3.25 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 49 D 7.91 4.77 0.00 2.83 2.61 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 0.00 0.00 0.00 0.00 50 V 8.91 3.59 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 1.01 0.00 0.00 1.01 0.00 0.00 51 A 7.95 3.96 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 52 R 7.96 4.19 0.00 1.97 2.03 0.00 3.42 0.00 0.00 3.23 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.59 0.00 53 V 7.68 3.56 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 0.83 0.00 0.00 1.04 0.00 0.00 54 K 8.16 4.13 0.00 2.14 1.84 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.53 7.81 55 T 9.15 3.85 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 1.21 0.00 0.00 56 L 8.07 4.46 0.00 1.76 1.64 0.99 1.28 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 57 L 9.25 4.14 0.00 1.95 1.79 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 58 N 7.59 4.22 0.00 3.22 2.92 0.00 0.00 7.04 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.25 4.25 0.00 2.12 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 0.00 2.31 2.62 0.00 60 K 7.59 4.24 0.00 1.75 2.05 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.57 1.60 7.81 61 A 8.15 4.15 1.35 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 0.00 0.00 0.00 62 G 8.03 4.97 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 63 A 7.42 4.09 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