NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2486 8.1701 117.3740 63.1967 69.9004 173.5193 3 A 4.0709 8.3451 127.6700 51.5305 19.2068 175.4307 4 L 4.4878 8.4701 121.4483 53.3219 44.1567 175.3220 5 A 4.2554 8.1667 124.7391 51.0995 19.5256 177.3176 6 K 4.0596 8.3754 121.9221 55.2823 32.0918 175.3874 7 P 4.5211 0.0000 0.0000 61.6378 32.4843 175.3528 8 Q 4.1147 8.4106 119.8989 56.3218 28.9588 175.1065 9 M 4.5849 8.6352 123.5923 55.0201 33.9714 175.8504 10 R 4.4579 7.5728 117.4675 55.4099 32.5157 176.3562 11 G 4.0324 8.4341 108.0031 46.5727 0.0000 174.0839 12 L 4.1035 7.4010 118.8341 57.0595 42.4731 179.0918 13 L 3.9480 7.8234 119.8461 58.1092 42.1237 178.6417 14 A 4.0468 7.9585 120.3012 55.1921 18.2334 179.3938 15 R 3.8374 7.7785 117.0095 59.4161 30.1159 178.8026 16 R 4.0263 7.8634 118.2254 59.0128 30.1046 177.9986 17 L 3.9678 8.3598 120.6070 58.3776 42.1965 178.7536 18 R 3.8771 8.3096 118.8068 59.4920 30.0078 178.2560 19 F 4.1009 8.0563 120.3162 61.7849 39.5397 176.9247 20 H 4.1509 8.4230 115.1235 58.1161 27.9722 177.8688 21 I 3.8011 7.9346 122.4886 64.0727 36.9483 178.4169 22 V 3.6925 7.6563 118.9067 65.7285 31.3416 178.2037 23 G 3.4680 7.6909 105.0053 47.8837 0.0000 175.4946 24 A 4.1111 7.7362 121.6530 53.8429 18.5600 179.2405 25 F 4.3660 7.7777 119.0189 61.6615 39.7483 177.3076 26 M 3.8312 8.0892 118.3221 58.5690 31.7571 178.9444 27 V 3.6903 7.8566 118.0405 65.6780 31.8194 178.2982 28 S 4.1769 8.0126 115.0381 60.9155 62.4708 176.5995 29 L 4.0224 7.5728 121.6333 57.6290 41.7566 179.2000 30 G 3.8061 7.8883 105.2866 47.5619 0.0000 175.2998 31 F 4.2915 8.1676 121.9751 60.8907 39.6874 177.2590 32 A 4.0003 7.9553 120.0469 55.5777 17.9250 179.8436 33 T 3.8227 8.0940 113.2511 66.8578 68.9042 176.3692 34 F 4.2579 8.0579 122.1161 61.6737 39.3374 176.5448 35 Y 3.8221 8.3718 119.2859 59.8883 38.4930 176.1799 36 K 4.5807 7.7372 118.1654 56.2979 33.6802 177.1946 37 F 4.7658 7.5559 120.1684 59.7037 45.7978 175.1095 38 A 3.5075 7.8031 121.7903 52.9581 17.9881 177.5229 39 V 3.8923 6.5220 114.2349 62.9325 34.8910 176.8519 40 A 3.8801 8.2863 120.6821 55.2797 18.4524 179.6372 41 E 3.7925 7.8889 116.3131 59.4220 29.7633 178.7734 42 K 3.5573 7.4415 119.5253 59.7823 32.0700 178.1525 43 R 3.8829 7.8010 118.2796 59.5556 29.9620 178.6082 44 K 3.9186 7.8017 117.6385 59.3557 31.9658 179.3039 45 K 3.9346 8.7041 119.9654 59.2536 32.1212 178.4514 46 A 4.2154 8.5601 121.4234 55.7855 18.2922 179.3265 47 Y 4.0240 8.3934 114.7455 60.9707 37.7770 178.6579 48 A 4.1267 8.4610 121.9059 55.3982 18.3337 179.4251 49 D 4.3523 8.7831 117.1959 57.3828 40.9562 178.6331 50 F 4.1023 8.5195 120.3493 61.5887 39.6499 176.4830 51 Y 4.2777 8.3147 113.3245 59.1076 37.8239 177.4114 52 R 4.1703 7.7340 120.4505 58.6041 31.0814 176.7633 53 N 5.0831 7.8888 112.8216 52.4671 39.4312 173.6345 54 Y 4.2841 7.8537 118.1989 56.4195 40.6310 174.5968 55 D 4.5225 7.3930 125.5496 51.9657 42.7187 176.3493 56 S 3.9191 8.1735 123.4348 61.6744 62.8389 176.4124 57 M 4.1150 7.8319 121.8979 58.0921 31.7167 178.4797 58 K 3.8629 8.0885 119.2787 59.5342 32.4592 178.0140 59 D 4.2843 8.0382 118.2268 57.2605 41.0976 177.9403 60 F 4.3845 8.1953 121.1347 61.2967 39.3706 176.4554 61 E 3.4259 8.5555 119.1315 59.4841 29.1634 178.5482 62 E 3.9090 8.3086 118.5774 59.8588 29.0911 179.4740 63 M 3.8380 7.7760 118.3531 57.9937 31.9883 178.7813 64 R 3.9720 7.7528 119.0964 59.3247 30.0945 178.6027 65 K 3.9264 8.1740 116.5617 58.3455 32.1577 177.5800 66 A 4.2078 7.2612 120.2255 51.5566 19.3334 176.9643 67 G 3.8485 7.8242 104.1337 46.5193 0.0000 175.1140 68 I 3.8958 7.0767 113.3866 62.0056 38.5791 176.5346 69 F 4.8122 7.5800 118.9178 57.1921 39.6698 174.9910 70 Q 4.3018 8.9345 124.5881 57.8570 29.4455 176.6775 71 S 4.4723 8.1205 109.4721 58.2691 63.9694 173.5341 72 A 4.6174 7.9233 123.3930 50.5459 20.8763 175.8657 73 K 4.2513 8.7928 121.1552 57.0208 32.3516 176.8518 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 2 T 8.17 4.25 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 3 A 8.35 4.07 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 4 L 8.47 4.49 0.00 1.64 1.59 0.92 0.79 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 5 A 8.17 4.26 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 6 K 8.38 4.06 0.00 1.72 1.75 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.42 7.81 7 P 0.00 4.52 0.00 2.21 2.05 0.00 3.81 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 8 Q 8.41 4.11 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 9 M 8.64 4.58 0.00 2.01 2.05 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 2.65 2.51 0.00 10 R 7.57 4.46 0.00 1.92 1.83 0.00 3.30 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 11 G 8.43 4.03 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 0.00 0.00 0.00 12 L 7.40 4.10 0.00 1.70 1.71 0.91 0.50 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 13 L 7.82 3.95 0.00 1.76 1.66 0.93 1.23 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 14 A 7.96 4.05 1.33 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 0.00 0.00 15 R 7.78 3.84 0.00 1.97 2.18 0.00 3.07 0.00 0.00 3.06 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 16 R 7.86 4.03 0.00 2.09 2.15 0.00 3.20 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.75 0.00 17 L 8.36 3.97 0.00 1.79 1.83 0.94 0.77 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 18 R 8.31 3.88 0.00 2.14 1.98 0.00 3.15 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 19 F 8.06 4.10 0.00 3.11 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 20 H 8.42 4.15 0.00 3.35 3.33 0.00 5.86 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.93 3.80 1.90 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 1.59 1.29 0.89 0.00 0.00 22 V 7.66 3.69 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 0.98 0.00 0.00 0.91 0.00 0.00 23 G 7.69 3.47 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 0.00 24 A 7.74 4.11 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 25 F 7.78 4.37 0.00 3.08 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.09 3.83 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 3.00 0.00 27 V 7.86 3.69 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 1.00 0.00 0.00 0.96 0.00 0.00 28 S 8.01 4.18 0.00 3.98 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.57 4.02 0.00 1.62 1.56 0.41 0.49 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 30 G 7.89 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.17 4.29 0.00 3.12 3.25 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 0.00 32 A 7.96 4.00 1.45 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 33 T 8.09 3.82 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 1.22 0.00 0.00 34 F 8.06 4.26 0.00 3.21 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 35 Y 8.37 3.82 0.00 2.75 2.87 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 36 K 7.74 4.58 0.00 1.95 1.84 0.00 1.79 0.00 0.00 1.66 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.67 7.81 37 F 7.56 4.77 0.00 2.88 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 38 A 7.80 3.51 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.52 3.89 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 0.55 0.00 0.00 0.28 0.00 0.00 40 A 8.29 3.88 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 41 E 7.89 3.79 0.00 2.01 1.92 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 2.52 2.32 0.00 42 K 7.44 3.56 0.00 1.58 1.71 0.00 1.63 0.00 0.00 1.43 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.27 7.81 43 R 7.80 3.88 0.00 1.97 2.02 0.00 3.13 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 44 K 7.80 3.92 0.00 2.02 1.83 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.39 7.81 45 K 8.70 3.93 0.00 1.75 1.92 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.75 1.47 7.81 46 A 8.56 4.22 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.39 4.02 0.00 3.07 3.16 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 48 A 8.46 4.13 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.78 4.35 0.00 2.88 2.78 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 0.00 0.00 0.00 50 F 8.52 4.10 0.00 2.87 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 51 Y 8.31 4.28 0.00 3.20 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 52 R 7.73 4.17 0.00 2.00 2.00 0.00 3.22 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 53 N 7.89 5.08 0.00 2.66 2.70 0.00 0.00 6.77 7.46 0.00 0.00 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 Y 7.85 4.28 0.00 2.71 2.82 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 55 D 7.39 4.52 0.00 2.53 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 0.00 0.00 0.00 0.00 56 S 8.17 3.92 0.00 4.19 4.32 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 57 M 7.83 4.11 0.00 2.07 2.27 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.69 0.00 58 K 8.09 3.86 0.00 1.91 1.79 0.00 1.65 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.44 7.81 59 D 8.04 4.28 0.00 2.75 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.20 4.38 0.00 3.26 3.33 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 61 E 8.56 3.43 0.00 2.21 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 2.27 2.32 0.00 62 E 8.31 3.91 0.00 2.14 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 2.29 2.62 0.00 63 M 7.78 3.84 0.00 1.82 2.41 0.00 0.00 0.00 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.50 0.00 64 R 7.75 3.97 0.00 1.32 1.68 0.00 3.32 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.92 0.00 65 K 8.17 3.93 0.00 1.68 1.80 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.30 7.81 66 A 7.26 4.21 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 67 G 7.82 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 7.08 3.90 1.57 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 -0.36 0.72 0.00 0.00 69 F 7.58 4.81 0.00 3.38 3.02 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 0.00 0.00 0.00 70 Q 8.93 4.30 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.90 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 71 S 8.12 4.47 0.00 4.01 3.97 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 72 A 7.92 4.62 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.79 4.25 0.00 1.79 1.75 0.00 1.86 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.39 7.81