NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4588 8.3049 120.3471 55.6950 32.4397 174.6029 2 S 4.3909 8.2019 121.5353 55.3209 67.0170 170.6964 3 E 4.3892 8.8964 123.5483 54.8038 31.9668 175.3542 4 G 3.9953 8.4302 111.4495 43.1564 0.0000 173.3679 5 A 4.1544 8.6051 128.1172 54.5340 18.4337 179.1545 6 E 3.9044 8.0602 117.2512 59.6898 29.6938 178.8405 7 E 4.0116 8.1244 118.7896 59.0182 29.7810 178.5707 8 L 4.1263 7.9251 118.9361 57.6023 41.7139 179.3228 9 K 4.0115 8.4245 119.7283 59.3721 32.0527 178.7834 10 A 3.9644 8.1243 121.1528 54.8025 18.2757 179.4375 11 K 3.6903 8.1345 118.3243 59.5992 32.3156 178.7205 12 L 3.3667 7.6823 120.8135 57.6428 41.8622 178.6838 13 K 3.7828 8.2740 119.8693 59.5597 32.2880 178.6537 14 K 3.8952 8.1656 119.9394 59.4142 32.0528 178.7954 15 L 3.9575 7.7110 119.4125 57.4743 41.4524 178.7783 16 N 4.2173 8.6134 117.1453 56.8349 39.0090 176.7836 17 A 3.9614 8.0938 122.0896 54.9989 18.3494 179.4769 18 Q 3.7943 7.9114 117.4561 59.3719 29.1519 178.2016 19 A 3.9004 8.4771 122.1206 55.4751 18.4895 179.6838 20 T 3.8112 8.2924 114.2916 66.7386 68.5115 176.7370 21 A 4.0083 7.9432 122.5351 55.2217 18.3482 179.7621 22 L 3.9706 8.1258 117.5742 57.3925 41.5405 179.7164 23 K 3.9321 8.2971 120.4134 59.7232 32.1546 178.8758 24 M 4.0936 7.9436 116.9200 58.1995 31.1409 178.0309 25 D 4.2764 8.0873 119.2062 57.0838 41.3597 177.9733 26 L 3.9431 8.1504 121.0664 58.3624 42.0325 178.3093 27 H 4.0945 8.4716 118.3036 59.4456 29.7233 176.9027 28 D 4.3725 8.5023 121.0062 57.4133 40.4480 178.6347 29 L 3.9443 7.9562 119.4936 57.9343 42.1151 178.5092 30 A 4.1460 8.0184 120.7331 54.8482 18.1092 178.8805 31 E 4.2183 8.0311 115.1277 58.2578 29.7894 177.2480 32 D 4.7893 7.8615 118.1198 53.5627 41.7109 175.5725 33 L 3.8969 7.5632 118.3037 55.1755 42.0735 175.8658 34 P 4.1691 0.0000 0.0000 63.7862 28.8352 175.1479 35 T 5.1225 7.6304 118.7029 62.8074 72.1904 174.7297 36 G 3.9265 8.8704 110.4599 45.9860 0.0000 175.4967 37 W 4.4953 8.0604 118.9693 59.4531 27.5566 177.5081 38 N 4.2189 7.0018 115.9220 54.9822 38.7044 175.4074 39 R 4.4006 7.8606 118.9155 56.1260 30.4784 177.1778 40 I 3.6878 7.3061 119.7441 65.6151 37.2295 177.8573 41 M 4.0151 7.9803 118.3204 58.4341 32.1041 177.4306 42 E 3.8727 8.0848 119.1541 59.3447 29.9419 178.7745 43 V 3.5334 8.0230 117.8212 65.9902 31.6625 177.8923 44 A 4.0253 8.2216 120.6304 55.1065 18.1371 179.2372 45 E 3.9236 8.2997 117.8121 59.2499 29.6583 179.0537 46 K 3.8842 7.9601 118.4804 59.9843 32.1321 179.4272 47 T 3.5337 7.8471 115.7409 66.5306 68.2654 176.2171 48 Y 4.0592 8.0100 121.4538 60.6631 38.8061 177.5779 49 E 3.8689 8.7272 120.4800 59.1509 29.6899 178.5816 50 A 3.9287 8.2033 121.1144 55.4517 18.3779 179.2078 51 Y 4.3935 7.8416 115.5578 61.3223 37.9246 179.1426 52 R 3.8157 8.2749 117.4538 59.2976 29.3785 178.9438 53 Q 4.0495 8.3922 119.1539 58.3559 28.6717 178.4158 54 L 4.0383 8.2851 120.6234 57.9059 41.6638 178.9467 55 D 4.3117 8.4205 118.2665 57.2252 41.0632 177.6469 56 E 3.9024 8.3174 119.8008 59.5350 29.5763 178.6218 57 F 4.1183 8.6066 120.7607 61.4224 39.0180 177.2420 58 R 3.7619 8.3521 117.7788 59.1295 29.9516 179.2755 59 K 3.9690 8.3013 118.4943 59.3625 32.0929 179.6882 60 S 4.0197 8.2502 115.8102 61.9388 62.7650 176.7621 61 T 3.5845 7.9758 115.9487 64.7199 66.6662 176.1043 62 A 3.9317 7.5180 122.5792 55.0251 18.1913 179.5574 63 S 4.0620 7.6845 110.3926 61.3405 62.6543 176.1637 64 L 4.2035 7.8999 121.7538 57.7345 41.3809 178.7104 65 E 4.0998 8.3307 117.0896 58.1308 29.7144 177.0918 66 H 4.6010 7.7777 116.3308 58.2527 30.4062 173.6110 67 H 5.0063 8.1223 117.6110 55.4858 31.2719 173.1570 68 H 4.6591 8.3643 115.7119 55.3171 29.9848 172.7232 69 H 4.4526 8.8931 121.7346 55.0680 29.2644 174.3686 70 H 4.6800 8.6181 123.2881 55.3724 30.9681 174.1983 71 H 4.3344 8.1676 124.4352 56.4913 29.9366 172.6858 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 4.46 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.55 0.00 2 S 8.20 4.39 0.00 3.89 3.61 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 3 E 8.90 4.39 0.00 2.08 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 2.28 0.00 4 G 8.43 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.61 4.15 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 6 E 8.06 3.90 0.00 2.04 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 2.38 0.00 7 E 8.12 4.01 0.00 2.04 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 2.38 2.40 0.00 8 L 7.93 4.13 0.00 2.22 2.10 1.09 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.42 4.01 0.00 2.09 1.99 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.49 7.81 10 A 8.12 3.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 3.69 0.00 1.85 1.77 0.00 0.94 0.00 0.00 1.31 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.34 1.57 7.81 12 L 7.68 3.37 0.00 0.78 1.55 0.92 0.76 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 13 K 8.27 3.78 0.00 1.96 1.93 0.00 1.55 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.47 7.81 14 K 8.17 3.90 0.00 1.95 1.82 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.45 7.81 15 L 7.71 3.96 0.00 1.80 1.64 0.81 0.51 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 16 N 8.61 4.22 0.00 2.80 2.93 0.00 0.00 7.12 8.27 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 17 A 8.09 3.96 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 18 Q 7.91 3.79 0.00 2.28 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 19 A 8.48 3.90 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 20 T 8.29 3.81 4.39 0.00 0.00 0.00 0.00 0.00 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 21 A 7.94 4.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 3.97 0.00 1.72 1.63 0.85 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.30 3.93 0.00 2.01 1.99 0.00 1.76 0.00 0.00 1.90 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.59 7.81 24 M 7.94 4.09 0.00 2.32 2.32 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 2.58 2.75 0.00 25 D 8.09 4.28 0.00 2.90 2.84 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 26 L 8.15 3.94 0.00 1.86 1.83 0.94 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 27 H 8.47 4.09 0.00 3.40 3.48 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.50 4.37 0.00 2.98 2.72 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 0.00 0.00 0.00 0.00 29 L 7.96 3.94 0.00 1.72 1.88 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.02 4.15 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 31 E 8.03 4.22 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.37 0.00 32 D 7.86 4.79 0.00 2.79 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 33 L 7.56 3.90 0.00 1.80 1.65 0.96 1.14 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 34 P 0.00 4.17 0.00 2.08 2.29 0.00 3.62 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.00 0.00 35 T 7.63 5.12 4.80 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 1.31 0.00 0.00 36 G 8.87 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 W 8.06 4.50 0.00 3.57 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.00 4.22 0.00 1.87 2.40 0.00 0.00 6.65 7.57 0.00 0.00 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 R 7.86 4.40 0.00 1.73 1.88 0.00 3.10 0.00 0.00 3.13 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 40 I 7.31 3.69 1.99 0.00 0.00 0.98 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 0.66 0.94 0.00 0.00 41 M 7.98 4.02 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.58 0.00 42 E 8.08 3.87 0.00 2.04 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 2.35 2.35 0.00 43 V 8.02 3.53 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 0.95 0.00 0.00 0.99 0.00 0.00 44 A 8.22 4.03 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 45 E 8.30 3.92 0.00 2.19 2.15 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 2.35 2.39 0.00 46 K 7.96 3.88 0.00 2.01 1.80 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.73 7.81 47 T 7.85 3.53 4.16 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 0.76 0.00 0.00 48 Y 8.01 4.06 0.00 3.17 3.12 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 49 E 8.73 3.87 0.00 2.26 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 2.37 0.00 50 A 8.20 3.93 1.22 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 0.00 0.00 0.00 51 Y 7.84 4.39 0.00 3.01 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 52 R 8.27 3.82 0.00 1.81 1.82 0.00 2.79 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.85 0.00 53 Q 8.39 4.05 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 54 L 8.29 4.04 0.00 1.94 1.78 1.10 0.76 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 55 D 8.42 4.31 0.00 2.75 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 56 E 8.32 3.90 0.00 2.30 2.14 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 2.33 2.50 0.00 57 F 8.61 4.12 0.00 3.16 3.20 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 58 R 8.35 3.76 0.00 2.11 1.96 0.00 3.22 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.99 0.00 59 K 8.30 3.97 0.00 2.03 1.82 0.00 1.53 0.00 0.00 1.90 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.49 7.81 60 S 8.25 4.02 0.00 3.77 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 61 T 7.98 3.58 2.94 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 0.98 0.00 0.00 62 A 7.52 3.93 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 63 S 7.68 4.06 0.00 3.90 4.01 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 0.00 0.00 0.00 64 L 7.90 4.20 0.00 1.77 1.69 0.91 0.91 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 65 E 8.33 4.10 0.00 2.05 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 2.34 2.33 0.00 66 H 7.78 4.60 0.00 3.34 3.33 0.00 5.79 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 H 8.12 5.01 0.00 3.31 3.25 0.00 5.93 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.36 4.66 0.00 3.20 3.24 0.00 5.54 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.89 4.45 0.00 3.33 3.40 0.00 5.55 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 70 H 8.62 4.68 0.00 3.12 3.22 0.00 5.69 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 71 H 8.17 4.33 0.00 3.11 3.05 0.00 6.01 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00