NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 L 4.5478 7.6074 121.8871 56.1722 44.1823 177.3561 9 G 3.8634 8.4071 112.1257 45.7424 0.0000 173.6361 10 P 4.3932 0.0000 0.0000 64.9727 32.6115 175.6605 11 E 4.4254 8.0970 115.4676 56.5829 29.2187 177.7407 12 E 3.9513 8.2469 121.8468 59.1399 29.3345 178.6863 13 K 3.8994 7.8609 119.5512 59.4805 32.1817 178.1324 14 D 4.3188 7.9655 117.7053 57.4669 41.1223 177.8488 15 E 3.9124 8.3390 119.1075 59.7771 29.4616 179.2327 16 C 3.9413 8.5334 117.0242 62.5625 28.0588 175.5585 17 M 4.3775 8.3003 119.5482 57.6377 31.7500 178.2589 18 K 3.9580 8.2005 120.6403 59.5191 32.4271 178.4801 19 I 3.5593 7.9339 119.3651 63.9568 37.6647 177.2016 20 F 3.4712 8.0161 119.1213 59.6471 39.1156 175.2889 21 D 5.1595 7.3555 117.3253 56.2049 42.2087 177.9019 22 I 3.9606 8.1366 120.6101 64.6069 37.0795 178.3668 23 F 4.2781 8.8617 116.9399 59.6702 39.2960 176.2803 24 D 4.2724 7.8552 118.6293 54.9562 41.3933 176.9484 25 R 4.4740 8.0613 122.6683 55.0935 29.0231 177.1900 26 N 4.9561 7.4651 122.2687 53.9650 36.1445 175.7034 27 A 4.7274 7.3469 122.3945 50.4040 18.8492 174.1039 28 E 4.3755 9.0294 120.0279 56.4446 32.6794 176.8596 29 N 4.5796 8.4348 114.0972 53.5197 36.5797 174.2166 30 I 4.6794 7.3455 111.4039 59.9137 39.8616 173.6634 31 A 4.5636 8.9349 129.7799 49.3689 21.0168 174.3040 32 P 4.6086 0.0000 0.0000 61.6766 35.1721 176.6696 33 V 3.5789 8.1697 109.9906 64.9761 31.4129 178.3640 34 S 4.1548 8.1263 113.4069 61.9098 62.5669 176.2057 35 D 4.6162 7.7577 121.5978 57.5304 40.5300 178.8844 36 T 4.2436 7.9207 115.9546 66.3934 68.3712 176.7148 37 M 4.0921 7.9142 120.8025 58.5108 32.1973 177.9384 38 D 4.5476 8.2964 118.9388 58.7331 40.9866 178.2029 39 M 4.2100 8.5474 119.6983 57.8817 31.9195 177.5162 40 L 4.1366 8.6698 118.2348 56.3996 41.9622 179.0328 41 T 4.3481 7.8823 116.8700 65.5443 68.9508 176.7972 42 K 4.0929 7.8457 118.6156 58.6803 32.7936 177.8192 43 L 3.9555 7.9238 120.0951 57.6541 41.4386 177.0116 44 G 3.8509 6.8169 103.6831 44.3862 0.0000 171.6015 45 Q 4.5417 7.3081 128.2059 54.8299 33.3307 173.8816 46 T 4.3062 6.9203 107.7370 62.6138 71.5530 172.6164 47 Y 4.4740 8.9780 122.1237 58.4961 39.0048 177.1734 48 T 3.8817 6.3190 125.1994 65.3591 67.3328 174.2124 49 K 4.4416 8.2849 131.4301 56.3511 40.3500 175.9879 50 R 4.1730 7.9465 117.1228 58.4810 30.5325 178.6498 51 E 4.0022 7.9187 118.1289 59.4222 29.7115 178.9096 52 T 2.9697 7.1939 114.6531 65.4982 68.4352 176.4505 53 E 3.8647 7.5519 119.6160 59.1073 29.4073 178.8528 54 A 3.9335 7.6882 120.7998 55.4088 18.3334 179.2197 55 I 3.5783 6.9343 117.4761 65.4375 37.0021 178.5406 56 M 4.1472 8.0044 118.1368 57.9679 31.8597 178.4444 57 K 4.2487 8.1246 117.9218 57.9479 32.6645 178.2655 58 E 4.2164 8.1090 116.5829 57.7988 29.9427 177.5332 59 A 4.1003 7.5144 122.6354 55.2474 18.5737 178.4012 60 R 3.8891 7.3057 111.1792 56.4466 29.9988 179.8888 61 G 3.8908 7.6617 108.3401 45.2752 0.0000 169.2443 62 P 4.5097 0.0000 0.0000 64.6670 31.1069 176.9395 63 K 3.9493 8.1246 120.0074 57.7489 32.4234 178.2031 64 G 3.8857 8.2519 103.9297 46.0280 0.0000 174.0909 65 D 4.4492 7.6375 119.4789 55.7408 40.0484 177.9278 66 K 4.5089 7.5240 116.7352 54.3223 33.0745 177.8788 67 K 4.4371 7.7921 119.4261 55.3505 33.3774 177.1143 68 N 5.2545 8.6077 121.9876 51.0695 42.3805 174.1261 69 I 4.1652 8.5992 115.8010 59.7388 39.5293 174.8508 70 G 4.6652 8.5965 120.5117 45.1885 0.0000 172.5479 71 P 3.8329 0.0000 0.0000 65.2443 31.8282 177.2780 72 E 4.2008 7.6819 116.8749 57.0434 30.6214 177.4739 73 E 3.9390 8.1100 119.7238 58.9661 29.6707 178.5376 74 W 4.6738 8.2207 127.9164 60.3274 30.7086 177.5864 75 L 4.0209 7.9487 119.8066 58.2388 41.7937 178.6224 76 T 3.9215 8.1093 117.3471 65.9948 68.3726 176.2847 77 L 4.0662 8.4895 122.5419 58.4959 42.1451 178.8799 78 C 4.3294 8.1633 116.9332 62.7006 27.7702 176.2411 79 S 4.1445 8.7937 116.4996 61.1025 62.7915 176.7668 80 K 3.8564 8.6333 122.3961 59.1846 31.6329 179.4556 81 W 2.5400 8.2248 118.1292 59.0394 28.8350 178.0556 82 V 3.6041 7.4365 117.9469 64.8708 31.1039 177.7435 83 R 3.8838 7.2876 118.6410 59.9160 30.6354 176.1051 84 Q 4.8364 7.8084 122.2050 57.0407 30.9869 172.4514 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 8 L 7.61 4.55 0.00 1.61 1.64 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.41 3.86 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 0.00 0.00 0.00 10 P 0.00 4.39 0.00 2.19 2.09 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 11 E 8.10 4.43 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 2.39 2.29 0.00 12 E 8.25 3.95 0.00 2.21 1.98 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 2.50 2.51 0.00 13 K 7.86 3.90 0.00 1.89 1.78 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.58 7.81 14 D 7.97 4.32 0.00 2.83 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 15 E 8.34 3.91 0.00 2.12 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 2.31 2.47 0.00 16 C 8.53 3.94 0.00 2.86 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 17 M 8.30 4.38 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.67 0.00 18 K 8.20 3.96 0.00 2.11 1.89 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.50 7.81 19 I 7.93 3.56 1.44 0.00 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.76 0.26 0.00 0.00 20 F 8.02 3.47 0.00 3.50 3.22 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 21 D 7.36 5.16 0.00 2.82 2.83 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 22 I 8.14 3.96 2.22 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.60 1.01 0.00 0.00 23 F 8.86 4.28 0.00 3.09 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 24 D 7.86 4.27 0.00 2.31 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 0.00 0.00 0.00 25 R 8.06 4.47 0.00 1.98 2.23 0.00 3.44 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.79 0.00 26 N 7.47 4.96 0.00 2.89 2.96 0.00 0.00 5.75 7.27 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 27 A 7.35 4.73 1.24 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 0.00 0.00 0.00 28 E 9.03 4.38 0.00 1.94 2.00 0.00 0.00 0.00 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 2.29 0.00 29 N 8.43 4.58 0.00 3.07 3.03 0.00 0.00 6.73 6.91 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 30 I 7.35 4.68 1.86 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 1.22 0.40 1.00 0.00 0.00 31 A 8.93 4.56 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 32 P 0.00 4.61 0.00 2.23 2.39 0.00 3.82 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 33 V 8.17 3.58 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 0.91 0.00 0.00 0.91 0.00 0.00 34 S 8.13 4.15 0.00 4.04 4.13 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 0.00 0.00 0.00 0.00 35 D 7.76 4.62 0.00 3.18 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 36 T 7.92 4.24 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 1.40 0.00 0.00 37 M 7.91 4.09 0.00 2.06 2.28 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.81 0.00 38 D 8.30 4.55 0.00 2.97 2.99 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 0.00 0.00 0.00 39 M 8.55 4.21 0.00 2.13 2.39 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.04 0.00 40 L 8.67 4.14 0.00 1.87 1.70 0.87 0.82 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 41 T 7.88 4.35 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 1.21 0.00 0.00 42 K 7.85 4.09 0.00 1.87 1.89 0.00 1.78 0.00 0.00 1.67 0.00 0.00 3.37 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.64 7.81 43 L 7.92 3.96 0.00 1.36 1.70 0.73 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 44 G 6.82 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 45 Q 7.31 4.54 0.00 1.90 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.84 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 46 T 6.92 4.31 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 1.18 0.00 0.00 47 Y 8.98 4.47 0.00 2.99 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 48 T 6.32 3.88 4.26 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 1.36 0.00 0.00 49 K 8.28 4.44 0.00 1.70 1.63 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.32 7.81 50 R 7.95 4.17 0.00 2.00 1.89 0.00 3.32 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 51 E 7.92 4.00 0.00 2.12 2.28 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 2.55 2.52 0.00 52 T 7.19 2.97 4.11 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 1.22 0.00 0.00 53 E 7.55 3.86 0.00 2.13 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 0.00 2.30 2.36 0.00 54 A 7.69 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 55 I 6.93 3.58 1.88 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.07 0.98 0.00 0.00 56 M 8.00 4.15 0.00 1.99 2.22 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.61 0.00 57 K 8.12 4.25 0.00 1.81 1.85 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.42 7.81 58 E 8.11 4.22 0.00 2.16 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 2.64 2.36 0.00 59 A 7.51 4.10 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 60 R 7.31 3.89 0.00 1.74 1.77 0.00 3.33 0.00 0.00 3.87 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 61 G 7.66 3.89 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 0.00 0.00 0.00 62 P 0.00 4.51 0.00 2.18 2.18 0.00 3.76 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 63 K 8.12 3.95 0.00 1.81 1.82 0.00 1.79 0.00 0.00 2.11 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.43 7.81 64 G 8.25 3.89 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 0.00 0.00 0.00 65 D 7.64 4.45 0.00 2.85 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 66 K 7.52 4.51 0.00 1.69 1.74 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.44 7.81 67 K 7.79 4.44 0.00 1.74 1.87 0.00 1.57 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.51 7.81 68 N 8.61 5.25 0.00 2.52 2.72 0.00 0.00 7.08 7.43 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 69 I 8.60 4.17 1.91 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 1.11 0.93 0.89 0.00 0.00 70 G 8.60 4.67 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 71 P 0.00 3.83 0.00 2.09 2.15 0.00 3.78 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 1.99 2.04 0.00 72 E 7.68 4.20 0.00 2.19 2.12 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 2.18 2.40 0.00 73 E 8.11 3.94 0.00 2.14 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 2.45 2.57 0.00 74 W 8.22 4.67 0.00 3.05 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 75 L 7.95 4.02 0.00 1.72 1.58 1.02 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.11 3.92 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 1.34 0.00 0.00 77 L 8.49 4.07 0.00 2.02 1.92 1.02 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 78 C 8.16 4.33 0.00 3.19 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 79 S 8.79 4.14 0.00 3.97 4.09 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 80 K 8.63 3.86 0.00 2.00 1.80 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.44 7.81 81 W 8.22 2.54 0.00 3.22 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 82 V 7.44 3.60 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 0.78 0.00 0.00 0.74 0.00 0.00 83 R 7.29 3.88 0.00 1.79 1.95 0.00 3.22 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 84 Q 7.81 4.84 0.00 1.93 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.26 0.00 0.00 0.00 0.00 0.00 2.04 2.17 0.00