NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3775 8.2931 120.3336 55.4705 32.6997 173.9640 2 G 4.1485 7.9465 118.0206 44.2389 0.0000 168.8344 3 L 4.1548 9.0037 123.7629 55.3291 43.2376 175.2480 4 K 4.5699 8.4903 123.1513 54.4599 34.1504 177.6696 5 W 4.7132 8.8444 124.3412 60.5762 29.1893 178.2865 6 T 4.0617 8.1388 113.0308 66.4638 68.2773 174.7287 7 D 4.7890 7.8971 123.8211 53.5099 40.0349 177.8883 8 S 4.3235 7.8297 116.4661 61.2753 63.4977 176.3875 9 R 3.8886 7.9487 122.1375 59.5025 30.0045 178.0957 10 E 4.1522 8.2097 117.8755 59.4875 29.3632 179.3904 11 I 3.8598 7.5677 119.2417 64.1287 37.2152 178.5351 12 G 3.6689 8.5671 106.9454 48.0312 0.0000 175.5875 13 E 4.0700 8.6438 121.3997 58.8746 29.3905 179.2241 14 A 3.9444 8.0290 120.8956 55.2092 18.4321 179.7589 15 L 3.6690 7.9895 117.7975 57.9666 41.3053 179.1644 16 Y 4.6070 7.5284 118.3357 60.3462 38.7561 177.0195 17 D 4.1836 8.2552 118.8211 57.2316 41.4852 177.6960 18 A 3.9558 7.7523 119.6106 53.3070 19.6961 177.1530 19 Y 4.7702 8.0963 114.5760 56.1409 38.1171 174.5197 20 P 4.6411 0.0000 0.0000 64.2280 32.4979 177.8795 21 D 4.5886 8.0857 118.0195 55.6058 41.3705 176.1382 22 L 4.5208 7.4901 118.5065 53.0651 42.7852 175.4228 23 D 4.5300 8.2778 122.2953 52.1413 41.6467 175.2392 24 P 3.6759 0.0000 0.0000 64.1302 31.5360 177.5126 25 K 4.0433 7.8292 118.8377 59.3069 32.2911 178.1509 26 T 3.9599 7.8487 107.2930 62.9424 69.1897 174.7247 27 V 3.7569 6.9099 122.4405 62.3096 31.8767 176.4259 28 R 4.1214 8.3538 126.9404 54.6174 32.9007 177.4848 29 F 4.4607 7.7437 117.5755 61.1803 38.9211 177.8744 30 T 3.8215 7.9066 114.8222 66.9113 68.1606 176.0746 31 D 3.9195 7.7237 119.9041 57.3336 40.8085 178.4514 32 M 3.9862 7.7749 118.5621 58.9393 32.3182 177.7904 33 H 4.3714 8.5276 118.6318 59.0578 29.6833 177.3707 34 Q 3.8612 7.2246 119.0015 58.7197 28.9205 178.3589 35 W 4.5832 7.3404 119.9401 59.7467 28.9408 178.6539 36 I 3.7170 8.3787 119.1059 63.9565 37.1979 177.1378 37 C 3.8465 7.8398 118.1173 61.1016 31.5286 174.2793 38 D 4.5998 7.7570 118.1729 55.1143 41.0666 176.3720 39 L 4.0968 7.0893 119.2123 55.0621 42.0761 177.9311 40 E 3.9967 8.8230 124.2850 58.8694 30.1469 177.0965 41 D 4.4484 8.0276 117.3842 55.6817 41.7929 175.3428 42 F 4.4407 7.5237 121.9845 58.6924 40.0973 174.8503 43 D 3.4104 7.7365 123.8423 55.2349 42.9943 173.8856 44 D 4.6248 7.5056 126.9300 53.7425 47.3800 174.9420 45 D 4.6164 8.4826 120.6579 52.2263 44.0403 173.6908 46 P 4.8289 0.0000 0.0000 65.0559 31.7234 176.8553 47 Q 4.3480 7.9873 118.5875 57.4153 30.3884 175.9516 48 A 4.2982 9.0525 121.8566 52.0414 18.0331 179.1891 49 S 3.4054 7.1938 118.8285 56.5569 62.1121 175.2501 50 N 4.1712 7.2697 119.9722 53.2858 40.8257 175.3054 51 E 3.4766 8.4570 122.5444 59.7457 29.5934 180.1886 52 K 4.0924 7.7455 117.2855 58.8861 31.9096 179.4242 53 I 3.5967 7.2596 120.0463 64.4718 37.0257 178.2549 54 L 3.9258 7.4170 119.6817 57.4548 41.3334 179.2464 55 E 4.0922 8.2444 119.5242 59.2300 29.6016 178.6312 56 A 4.0646 8.1915 121.0314 55.4443 18.4257 179.7486 57 I 3.8580 7.6986 118.4090 64.2692 37.1007 178.5030 58 L 4.2995 8.4173 121.6408 58.2860 42.0424 179.0308 59 L 4.0841 8.7597 119.6192 57.7909 41.4760 179.8888 60 V 3.7955 8.1791 119.1459 64.2105 31.4379 178.3680 61 W 4.3318 8.3561 129.3453 60.4094 30.6496 177.7608 62 L 3.9320 8.3107 119.1597 57.9185 40.8527 179.0917 63 D 4.2995 7.8959 116.5301 57.4376 41.2817 177.9232 64 E 4.0117 8.3081 117.8340 59.2205 29.5949 178.8159 65 A 2.8797 8.0107 119.9130 54.5064 18.5464 177.2174 66 E 4.1099 7.7581 119.9851 56.5997 29.6887 176.2274 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 8.29 4.38 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 2 G 7.95 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.00 4.15 0.00 1.73 1.64 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.49 4.57 0.00 1.88 1.70 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.36 7.81 5 W 8.84 4.71 0.00 3.38 3.18 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 6 T 8.14 4.06 4.31 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 1.26 0.00 0.00 7 D 7.90 4.79 0.00 2.91 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.83 4.32 0.00 4.15 4.36 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 9 R 7.95 3.89 0.00 1.94 1.99 0.00 3.21 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 10 E 8.21 4.15 0.00 2.06 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 2.41 2.42 0.00 11 I 7.57 3.86 2.10 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.91 0.96 0.00 0.00 12 G 8.57 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.64 4.07 0.00 2.16 2.05 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 2.55 2.60 0.00 14 A 8.03 3.94 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 15 L 7.99 3.67 0.00 0.71 0.13 0.80 0.58 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 16 Y 7.53 4.61 0.00 2.99 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 17 D 8.26 4.18 0.00 2.64 2.81 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 18 A 7.75 3.96 0.84 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 0.00 0.00 0.00 0.00 0.00 19 Y 8.10 4.77 0.00 3.29 2.96 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 20 P 0.00 4.64 0.00 2.04 1.69 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.78 0.00 21 D 8.09 4.59 0.00 2.73 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.49 4.52 0.00 1.85 1.52 1.04 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.28 4.53 0.00 2.69 2.46 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 24 P 0.00 3.68 0.00 1.91 1.03 0.00 3.58 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.65 0.00 25 K 7.83 4.04 0.00 1.85 1.82 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.35 1.53 7.81 26 T 7.85 3.96 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 1.22 0.00 0.00 27 V 6.91 3.76 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 1.00 0.00 0.00 0.85 0.00 0.00 28 R 8.35 4.12 0.00 1.92 1.60 0.00 3.07 0.00 0.00 3.07 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.50 0.00 29 F 7.74 4.46 0.00 3.01 2.91 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 30 T 7.91 3.82 4.14 0.00 0.00 0.00 0.00 0.00 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 31 D 7.72 3.92 0.00 2.16 1.83 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 0.00 0.00 0.00 0.00 32 M 7.77 3.99 0.00 2.20 2.32 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.00 3.15 0.00 33 H 8.53 4.37 0.00 3.23 3.37 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.22 3.86 0.00 1.66 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.71 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 35 W 7.34 4.58 0.00 3.41 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 36 I 8.38 3.72 2.06 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.71 0.98 0.00 0.00 37 C 7.84 3.85 0.00 2.77 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 38 D 7.76 4.60 0.00 3.01 2.96 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 39 L 7.09 4.10 0.00 2.00 1.67 0.95 0.81 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 40 E 8.82 4.00 0.00 1.93 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 2.29 2.36 0.00 41 D 8.03 4.45 0.00 2.79 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 7.52 4.44 0.00 2.97 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 7.74 3.41 0.00 2.70 2.36 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 44 D 7.51 4.62 0.00 2.39 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.48 4.62 0.00 2.78 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 46 P 0.00 4.83 0.00 2.41 2.46 0.00 3.91 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 47 Q 7.99 4.35 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.66 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 48 A 9.05 4.30 1.38 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 0.00 0.00 0.00 49 S 7.19 3.41 0.00 3.40 3.07 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 50 N 7.27 4.17 0.00 2.52 2.61 0.00 0.00 6.88 7.60 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 51 E 8.46 3.48 0.00 1.80 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 2.23 2.28 0.00 52 K 7.75 4.09 0.00 1.66 1.78 0.00 1.64 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.41 7.81 53 I 7.26 3.60 1.67 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.83 0.37 0.00 0.00 54 L 7.42 3.93 0.00 1.25 1.63 0.74 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.24 4.09 0.00 1.66 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 2.40 2.60 0.00 56 A 8.19 4.06 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 57 I 7.70 3.86 2.17 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.93 1.06 0.00 0.00 58 L 8.42 4.30 0.00 2.18 2.08 1.00 1.18 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 59 L 8.76 4.08 0.00 1.90 1.76 0.97 0.90 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 60 V 8.18 3.80 2.16 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 1.07 0.00 0.00 0.99 0.00 0.00 61 W 8.36 4.33 0.00 3.69 3.35 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 62 L 8.31 3.93 0.00 2.00 1.71 0.93 0.89 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 63 D 7.90 4.30 0.00 2.87 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 64 E 8.31 4.01 0.00 1.95 1.88 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 2.57 2.54 0.00 65 A 8.01 2.88 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.76 4.11 0.00 2.04 1.83 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 0.00 2.26 2.27 0.00