NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3749 8.3001 120.3444 55.7158 32.4130 174.6394 2 A 3.9372 8.1314 128.4244 49.3470 22.4649 176.2788 3 F 4.5779 7.4191 122.0504 54.7670 37.5044 173.2177 4 G 4.4261 8.8381 121.1283 45.4522 0.0000 171.7126 5 K 4.4702 6.9785 118.3221 53.1429 36.0839 175.4170 6 P 3.8876 0.0000 0.0000 62.3887 30.0984 177.2485 7 A 3.9475 7.7670 127.7743 52.0079 16.2676 176.5313 8 M 4.4310 8.2433 111.6467 55.8508 32.6193 177.5427 9 K 3.7955 7.8886 114.2912 56.4767 31.3524 172.7137 10 N 3.9893 7.5459 118.9007 52.3664 35.8597 173.8240 11 V 3.7122 7.8790 123.3517 61.3501 32.1996 175.3778 12 P 3.8340 0.0000 0.0000 64.6325 31.2320 176.4340 13 V 3.8956 6.4426 112.1948 59.2177 33.2790 174.6982 14 E 4.4328 8.8729 125.1077 54.2335 30.3001 175.5984 15 A 4.4501 8.5309 128.0033 53.4101 18.7239 177.0096 16 G 4.1031 8.9064 111.1959 44.9854 0.0000 173.4246 17 K 4.7101 8.0130 118.8629 54.1712 36.0043 174.7052 18 E 5.0714 8.2156 119.3637 54.9056 31.8647 174.7739 19 Y 4.8871 9.0278 120.9220 56.0108 42.1249 174.5323 20 E 4.8573 8.8746 121.9720 56.1329 30.3906 176.2845 21 V 4.6467 9.3146 117.4455 59.9267 36.7639 174.6097 22 T 5.1846 8.2614 117.2828 60.8100 71.3945 174.7388 23 I 4.7571 7.5510 124.1598 60.3518 35.4198 176.5513 24 E 3.9061 8.1596 122.9977 58.2976 30.6758 175.9889 25 D 5.1346 7.6786 117.1249 52.5488 44.7251 174.9513 26 M 5.1389 8.6553 119.9316 53.6681 35.7258 175.5533 27 G 4.0158 9.3000 110.2523 44.3389 0.0000 174.3452 28 K 4.3333 8.4989 115.7591 56.7344 30.3373 178.2382 29 G 4.0814 8.0609 107.6457 45.3923 0.0000 174.4173 30 G 3.9821 8.4437 105.2801 45.8755 0.0000 173.4196 31 D 4.8623 7.5059 119.3740 52.5778 43.4001 175.3056 32 G 4.3616 8.9948 112.3759 44.9856 0.0000 172.7043 33 I 4.4356 8.7632 126.3710 59.6059 38.3298 175.2135 34 A 5.1079 8.6721 129.7848 50.8069 20.4732 176.4853 35 R 4.7352 8.2269 119.1577 55.1453 32.8145 174.8209 36 I 4.0762 8.7654 129.3553 60.5684 37.2372 175.7064 37 D 4.3466 9.9251 123.6060 55.2024 38.3909 174.7924 38 G 3.9981 8.3404 107.6296 45.5003 0.0000 174.3270 39 F 3.9462 8.6019 123.7930 57.6217 39.6383 174.1941 40 V 3.8409 7.7819 129.0248 62.8635 32.5194 174.6936 41 V 4.4601 8.7507 129.1349 60.9834 33.8837 174.3790 42 F 4.6839 9.0530 128.6051 57.2035 40.2804 175.0884 43 V 5.0244 9.4611 124.2911 60.3876 33.3263 174.3136 44 P 5.1918 0.0000 0.0000 64.2313 31.3746 176.9298 45 N 4.9546 7.9274 114.2708 52.7535 38.3132 173.7719 46 A 4.6538 7.9965 120.6133 51.4180 20.8998 176.9639 47 E 4.6992 8.1909 118.7663 53.9809 31.8184 175.9826 48 K 4.1671 8.3892 123.7269 57.8000 32.7448 177.3980 49 G 3.9668 8.8953 114.2822 45.4851 0.0000 173.4305 50 S 4.6192 7.5586 116.2233 57.4286 65.2102 173.9351 51 V 4.4913 8.2985 122.9965 61.8835 31.6252 174.4980 52 I 4.5457 8.7924 129.0281 58.9280 41.2663 173.8705 53 N 5.1922 8.6880 126.9469 53.0519 40.0313 173.7439 54 V 4.9335 9.1216 120.5730 59.4256 35.2059 175.0054 55 K 4.7788 8.9047 127.2343 54.9453 33.3741 175.8298 56 V 4.2297 8.7548 129.6978 63.7594 31.6648 176.0709 57 T 4.4636 9.0812 118.7507 62.2693 71.1710 174.5986 58 A 4.6204 7.9673 123.1215 50.2496 20.9405 174.0936 59 V 4.2010 8.3996 120.3628 63.3442 32.4480 175.5067 60 K 4.7463 8.8555 129.4992 54.9383 34.6447 175.1798 61 E 3.9929 8.5862 119.4055 59.6914 29.5434 178.7150 62 K 4.4529 6.7291 113.2009 55.4930 33.6642 174.8643 63 F 4.2455 6.6079 112.9146 56.1277 40.9601 172.2931 64 A 5.4691 8.8538 120.1529 50.3279 22.9568 174.8316 65 F 5.4773 9.6597 117.7093 55.8940 42.0327 174.9413 66 A 5.7290 9.4075 124.4973 50.2018 22.6431 174.5986 67 E 4.8467 8.7415 114.2366 54.6016 33.4940 175.1694 68 R 4.1383 9.4873 123.2722 56.4381 30.7843 175.9494 69 V 4.1073 8.6013 127.3799 63.0379 32.0648 176.0786 70 L 4.3161 7.4707 124.8921 54.4044 41.6875 176.3280 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 4.37 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.65 0.00 2 A 8.13 3.94 1.08 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 0.00 0.00 3 F 7.42 4.58 0.00 3.12 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.84 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 6.98 4.47 0.00 1.66 1.60 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.43 7.81 6 P 0.00 3.89 0.00 2.08 1.87 0.00 3.64 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 2.02 1.95 0.00 7 A 7.77 3.95 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 8 M 8.24 4.43 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 9 K 7.89 3.80 0.00 1.78 1.88 0.00 2.01 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.39 7.81 10 N 7.55 3.99 0.00 3.01 2.83 0.00 0.00 6.79 7.55 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 11 V 7.88 3.71 1.97 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 0.83 0.00 0.00 0.92 0.00 0.00 12 P 0.00 3.83 0.00 1.94 2.04 0.00 3.43 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.93 0.00 13 V 6.44 3.90 1.94 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 0.45 0.00 0.00 0.26 0.00 0.00 14 E 8.87 4.43 0.00 2.20 1.93 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 2.27 2.28 0.00 15 A 8.53 4.45 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 16 G 8.91 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.01 4.71 0.00 1.50 1.16 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.24 1.30 7.81 18 E 8.22 5.07 0.00 2.06 1.84 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 2.09 2.24 0.00 19 Y 9.03 4.89 0.00 2.84 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 20 E 8.87 4.86 0.00 1.88 1.93 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 2.31 2.42 0.00 21 V 9.31 4.65 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 0.79 0.00 0.00 1.03 0.00 0.00 22 T 8.26 5.18 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 23 I 7.55 4.76 2.05 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 1.38 1.16 0.97 0.00 0.00 24 E 8.16 3.91 0.00 1.91 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 2.28 2.32 0.00 25 D 7.68 5.13 0.00 2.67 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 26 M 8.66 5.14 0.00 1.86 1.93 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 27 G 9.30 4.02 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 0.00 0.00 0.00 28 K 8.50 4.33 0.00 1.75 1.83 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.43 7.81 29 G 8.06 4.08 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 0.00 0.00 0.00 30 G 8.44 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 7.51 4.86 0.00 3.00 2.60 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 0.00 0.00 0.00 0.00 32 G 8.99 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 0.00 0.00 0.00 33 I 8.76 4.44 1.90 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 1.07 0.41 0.67 0.00 0.00 34 A 8.67 5.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.23 4.74 0.00 1.71 1.75 0.00 3.18 0.00 0.00 3.15 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 36 I 8.77 4.08 1.78 0.00 0.00 0.51 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 0.45 0.69 0.00 0.00 37 D 9.93 4.35 0.00 2.79 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.34 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 39 F 8.60 3.95 0.00 3.00 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 40 V 7.78 3.84 1.64 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 0.02 0.00 0.00 0.69 0.00 0.00 41 V 8.75 4.46 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 1.06 0.00 0.00 1.19 0.00 0.00 42 F 9.05 4.68 0.00 2.54 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.46 5.02 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 1.15 0.00 0.00 1.07 0.00 0.00 44 P 0.00 5.19 0.00 2.27 2.25 0.00 3.65 0.00 0.00 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 45 N 7.93 4.95 0.00 2.79 2.88 0.00 0.00 6.01 7.31 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 46 A 8.00 4.65 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.19 4.70 0.00 2.03 1.85 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 2.32 2.28 0.00 48 K 8.39 4.17 0.00 1.72 1.72 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.59 7.81 49 G 8.90 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 0.00 0.00 0.00 50 S 7.56 4.62 0.00 3.87 3.79 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 51 V 8.30 4.49 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 0.72 0.00 0.00 0.94 0.00 0.00 52 I 8.79 4.55 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.34 0.99 0.00 0.00 53 N 8.69 5.19 0.00 2.90 2.70 0.00 0.00 6.92 8.11 0.00 0.00 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 V 9.12 4.93 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 0.71 0.00 0.00 1.10 0.00 0.00 55 K 8.90 4.78 0.00 1.83 1.73 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.36 7.81 56 V 8.75 4.23 2.41 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 1.04 0.00 0.00 1.12 0.00 0.00 57 T 9.08 4.46 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 58 A 7.97 4.62 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 59 V 8.40 4.20 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 0.99 0.00 0.00 0.98 0.00 0.00 60 K 8.86 4.75 0.00 1.47 1.38 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.76 1.95 7.81 61 E 8.59 3.99 0.00 1.83 1.79 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 2.24 2.30 0.00 62 K 6.73 4.45 0.00 1.85 1.81 0.00 1.95 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.31 7.81 63 F 6.61 4.25 0.00 3.08 2.93 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 64 A 8.85 5.47 1.55 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 65 F 9.66 5.48 0.00 3.19 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 66 A 9.41 5.73 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 67 E 8.74 4.85 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.28 0.00 68 R 9.49 4.14 0.00 1.93 2.05 0.00 3.10 0.00 0.00 3.29 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 69 V 8.60 4.11 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 0.88 0.00 0.00 1.05 0.00 0.00 70 L 7.47 4.32 0.00 1.65 1.55 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00