NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3816 8.1627 120.6040 55.4812 34.2358 173.4914 2 Q 4.7009 8.3816 127.2015 52.9904 30.6732 172.6751 3 I 4.6544 9.0661 120.6146 58.9958 41.9925 173.6689 4 F 5.3180 8.7823 121.7607 55.8325 41.9586 175.0671 5 V 4.7789 9.1420 122.4720 61.1252 34.2142 173.9314 6 K 4.9939 9.1677 130.9449 55.3723 34.0041 176.3361 7 T 4.9211 8.8576 118.2223 59.7062 70.6631 175.8615 8 L 4.0860 8.6411 121.2788 57.3671 41.6920 178.3368 9 T 4.2875 7.9712 106.9214 61.2908 68.9517 175.3957 10 G 3.9137 8.0517 109.9775 45.1313 0.0000 173.5427 11 K 4.2068 7.9013 121.6814 56.1642 33.6479 175.9351 12 T 4.9691 8.4205 123.9706 62.0147 69.6350 173.8129 13 I 4.1379 9.1305 128.9751 61.1158 38.6924 175.3168 14 T 4.9563 8.5690 123.2884 61.9912 70.1406 173.8358 15 L 4.7636 8.6777 126.5147 52.7716 45.2718 175.0921 16 E 4.9479 8.6261 123.2872 55.0991 30.6567 175.1722 17 V 4.7075 8.9374 119.6387 60.0770 36.5313 174.1679 18 E 4.7609 9.1869 120.0688 53.9811 32.4604 176.2942 19 P 4.1709 0.0000 0.0000 65.3915 31.5609 178.0811 20 S 4.4937 7.8574 110.0820 58.4290 63.8826 174.1218 21 D 4.4396 8.1535 123.6984 54.6016 41.3027 176.3019 22 T 4.6666 8.2383 113.7341 61.2831 71.1428 175.7449 23 I 3.6964 8.5768 123.5415 64.6414 37.1078 178.3195 24 E 3.9194 8.1953 120.0216 59.5138 29.4012 178.7320 25 N 4.3575 8.1283 116.4612 56.2202 38.5538 177.6182 26 V 3.5668 7.8735 119.7160 65.9303 31.5529 178.2459 27 K 4.3411 8.5854 119.5502 58.8885 31.7731 179.1683 28 A 3.9809 8.0798 121.0898 55.1280 18.2903 179.8735 29 K 3.9212 8.2766 117.0953 59.6161 32.0652 179.7050 30 I 3.7321 7.9685 120.2684 64.1547 36.8803 178.2428 31 Q 4.2102 8.1677 122.0099 58.8107 28.7142 178.0380 32 D 4.3324 8.0448 118.7090 57.2996 40.9460 178.4821 33 K 4.1168 8.0292 118.7727 58.7591 32.4347 177.8228 34 E 4.5862 8.7134 116.2417 55.4537 30.9019 177.1780 35 G 3.8841 8.2703 107.0567 45.2457 0.0000 173.1419 36 I 4.1256 7.4016 121.3339 59.1988 37.9637 173.6964 37 P 4.4248 0.0000 0.0000 61.9199 32.0800 175.7244 38 P 4.2564 0.0000 0.0000 65.6868 31.3949 177.9910 39 D 4.5325 8.0540 115.4090 55.0709 39.5982 176.5823 40 Q 4.3692 8.1922 118.8170 56.1905 29.5783 174.6149 41 Q 4.8290 7.9337 118.6468 54.3519 31.0757 174.7998 42 R 4.7460 8.9078 122.2990 54.3845 33.5267 174.4139 43 L 5.1997 8.5186 123.5411 53.1119 44.4794 175.4727 44 I 5.1072 8.7737 123.4676 59.6403 41.3089 174.3514 45 F 5.0481 9.2674 127.4555 57.3628 43.2495 174.0362 46 A 3.2132 8.8960 127.7478 53.1197 15.8765 178.0322 47 G 3.9392 8.4364 106.5788 46.5704 0.0000 174.2557 48 K 4.6328 7.6223 118.8599 54.0700 35.2942 175.0511 49 Q 4.5700 8.4693 123.4836 56.0594 29.6834 175.3177 50 L 4.1412 8.8747 126.7402 54.1619 43.1654 175.9449 51 E 4.6577 9.2584 122.2612 54.7328 31.6262 176.7861 52 D 4.3955 9.1360 123.7236 57.7028 41.0048 179.0109 53 G 3.8248 7.9724 104.4576 46.5508 0.0000 173.7861 54 R 4.3914 7.8671 119.7954 55.5986 31.0179 175.5835 55 T 5.0030 8.5106 109.8254 59.7173 71.1946 175.7506 56 L 3.9007 8.5507 122.6079 58.0556 41.9730 180.3545 57 S 4.1603 8.1988 113.2274 61.2202 63.1000 176.1966 58 D 4.1784 7.6954 119.7978 56.7470 40.5193 176.7048 59 Y 4.5791 7.2327 113.9116 56.9432 38.1270 174.8340 60 N 4.2085 8.0508 117.2468 54.5462 37.9333 173.9177 61 I 3.8481 7.7303 117.4349 60.0966 38.1705 175.5554 62 Q 4.5004 8.4468 122.4869 53.7384 31.6044 173.4270 63 K 3.8339 8.5623 117.3299 58.4453 32.0371 175.9371 64 E 3.6988 9.3833 124.5358 57.2160 27.7093 174.8195 65 S 4.5122 7.9888 115.2779 59.1711 64.2235 173.3142 66 T 5.1412 8.7269 119.1902 62.1745 70.1899 174.1181 67 L 5.0112 9.2125 126.7953 53.7534 44.7898 175.0237 68 H 5.3596 9.2429 117.8933 54.0200 32.0382 172.9274 69 L 5.0515 9.0514 125.4474 53.3550 44.1648 175.0104 70 V 4.5446 8.8457 126.5014 61.1111 34.3036 174.1631 71 L 5.0918 8.3642 126.6754 53.0350 43.7161 176.6919 72 R 4.1732 8.5263 120.3750 56.6115 29.5996 176.6350 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 4.38 0.00 2.22 1.96 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 2 Q 8.38 4.70 0.00 2.12 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.63 0.00 0.00 0.00 0.00 0.00 1.66 2.15 0.00 3 I 9.07 4.65 1.84 0.00 0.00 0.77 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 0.44 0.82 0.00 0.00 4 F 8.78 5.32 0.00 3.06 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.14 4.78 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 0.95 0.00 0.00 0.92 0.00 0.00 6 K 9.17 4.99 0.00 1.80 1.56 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.44 7.81 7 T 8.86 4.92 4.25 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 0.00 0.00 0.00 1.22 0.00 0.00 8 L 8.64 4.09 0.00 1.67 1.79 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.97 4.29 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 1.22 0.00 0.00 10 G 8.05 3.91 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 0.00 0.00 0.00 11 K 7.90 4.21 0.00 1.90 1.69 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.43 7.81 12 T 8.42 4.97 4.22 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 0.00 0.00 0.00 1.22 0.00 0.00 13 I 9.13 4.14 1.98 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.78 0.92 0.00 0.00 14 T 8.57 4.96 4.29 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 1.16 0.00 0.00 15 L 8.68 4.76 0.00 1.48 1.47 0.89 0.68 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 16 E 8.63 4.95 0.00 1.91 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 2.19 2.34 0.00 17 V 8.94 4.71 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 0.69 0.00 0.00 0.92 0.00 0.00 18 E 9.19 4.76 0.00 1.81 1.78 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 2.18 2.37 0.00 19 P 0.00 4.17 0.00 2.15 2.09 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 20 S 7.86 4.49 0.00 3.96 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 21 D 8.15 4.44 0.00 2.83 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 22 T 8.24 4.67 4.45 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 1.21 0.00 0.00 23 I 8.58 3.70 2.07 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 1.79 1.07 0.91 0.00 0.00 24 E 8.20 3.92 0.00 2.07 1.96 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 2.31 2.36 0.00 25 N 8.13 4.36 0.00 2.99 2.84 0.00 0.00 6.68 7.84 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 26 V 7.87 3.57 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 1.00 0.00 0.00 0.98 0.00 0.00 27 K 8.59 4.34 0.00 1.99 1.84 0.00 1.83 0.00 0.00 1.90 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.61 1.49 7.81 28 A 8.08 3.98 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 29 K 8.28 3.92 0.00 1.96 1.85 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.44 1.63 7.81 30 I 7.97 3.73 2.14 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 1.40 0.70 0.94 0.00 0.00 31 Q 8.17 4.21 0.00 2.21 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 32 D 8.04 4.33 0.00 2.83 2.71 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 0.00 0.00 0.00 33 K 8.03 4.12 0.00 1.80 1.82 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.47 7.81 34 E 8.71 4.59 0.00 2.03 1.96 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 2.25 2.43 0.00 35 G 8.27 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 0.00 0.00 0.00 36 I 7.40 4.13 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.07 0.91 0.00 0.00 37 P 0.00 4.42 0.00 2.17 1.97 0.00 3.61 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.26 0.00 2.17 2.11 0.00 3.60 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 39 D 8.05 4.53 0.00 2.76 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 40 Q 8.19 4.37 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.84 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 41 Q 7.93 4.83 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.53 0.00 42 R 8.91 4.75 0.00 1.80 1.79 0.00 3.09 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 43 L 8.52 5.20 0.00 1.54 1.52 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.77 5.11 1.91 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 1.11 0.82 0.95 0.00 0.00 45 F 9.27 5.05 0.00 2.98 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 46 A 8.90 3.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.44 3.94 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 0.00 0.00 0.00 48 K 7.62 4.63 0.00 1.78 1.69 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.52 7.81 49 Q 8.47 4.57 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.91 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 50 L 8.87 4.14 0.00 1.35 1.18 0.69 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.26 4.66 0.00 2.02 1.91 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 2.35 2.49 0.00 52 D 9.14 4.40 0.00 2.72 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 53 G 7.97 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.87 4.39 0.00 2.27 1.74 0.00 3.19 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.50 0.00 55 T 8.51 5.00 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 56 L 8.55 3.90 0.00 1.89 1.72 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.20 4.16 0.00 4.00 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 58 D 7.70 4.18 0.00 2.54 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 59 Y 7.23 4.58 0.00 2.98 3.03 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 0.00 0.00 0.00 60 N 8.05 4.21 0.00 2.92 3.01 0.00 0.00 7.11 7.72 0.00 0.00 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 I 7.73 3.85 1.83 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.20 0.02 0.64 0.00 0.00 62 Q 8.45 4.50 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 63 K 8.56 3.83 0.00 1.71 1.81 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.49 7.81 64 E 9.38 3.70 0.00 2.21 2.31 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 2.34 2.23 0.00 65 S 7.99 4.51 0.00 3.72 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.73 5.14 4.38 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 1.20 0.00 0.00 67 L 9.21 5.01 0.00 1.59 1.60 0.75 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.24 5.36 0.00 3.04 3.20 0.00 5.58 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.05 5.05 0.00 1.72 1.52 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.85 4.54 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 1.00 0.00 0.00 0.94 0.00 0.00 71 L 8.36 5.09 0.00 1.57 1.57 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.53 4.17 0.00 1.69 1.85 0.00 3.24 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00