NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.0766 8.0244 114.2732 60.6863 38.9665 174.7584 2 V 3.7908 8.3440 119.4352 62.7914 33.1390 174.7036 3 C 3.9896 7.3347 117.4748 55.8588 38.8577 173.3107 4 H 4.7635 8.3647 125.3030 54.8072 29.0959 174.2235 5 T 4.2721 7.5362 120.7503 61.5920 74.5585 172.8307 6 T 4.2750 8.4455 116.9362 60.7904 68.1775 175.1876 7 A 5.9400 8.1418 135.0000 52.6074 20.2701 176.4797 8 T 3.2731 7.4911 118.7719 65.5826 69.0220 173.3135 9 I 2.9653 8.5505 115.6011 62.1591 40.9830 171.7529 10 P 4.4614 0.0000 0.0000 62.6085 28.3795 173.2229 11 S 4.6011 8.3430 115.7640 58.5007 63.5350 176.0924 12 S 4.5095 8.5263 119.0848 58.2036 63.7051 174.2672 13 A 3.8381 9.3406 132.7360 53.8439 18.4659 178.4969 14 V 3.6189 8.0620 116.6346 63.8915 30.7650 173.3819 15 T 3.3222 7.9215 112.3694 64.6092 65.5212 174.2911 16 C 4.1590 8.2144 119.6331 56.8426 39.6489 168.9397 17 P 5.0389 0.0000 0.0000 61.8929 32.8950 172.3866 18 P 4.5109 0.0000 0.0000 62.7516 33.5765 175.6165 19 G 4.0367 9.9383 113.7939 44.1430 0.0000 175.8859 20 E 4.0797 9.2869 120.1418 57.8376 29.1989 173.6997 21 N 4.6565 8.6702 121.3637 53.6511 37.6651 170.2151 22 L 3.5740 8.3866 127.1038 55.2978 41.8007 174.3069 23 C 5.3987 8.8786 118.4518 54.8722 38.9199 171.9633 24 Y 5.2220 8.6682 122.6015 55.3733 40.0760 174.9866 25 R 4.7622 8.1989 120.6045 54.7158 33.6370 174.7004 26 K 4.6729 8.8790 119.0988 57.9209 36.1434 173.7600 27 M 3.6924 9.2992 122.1007 55.3930 31.7621 175.3688 28 W 4.4583 8.4578 127.8710 58.5290 33.8742 175.1676 29 C 5.1620 7.8380 122.9596 55.3144 43.8167 174.3706 30 D 4.0438 8.0505 127.6944 56.3571 39.7450 176.3373 31 A 3.8450 6.3484 123.2193 51.4011 19.0727 177.1903 32 F 4.8705 7.3896 114.6447 55.7088 39.0317 175.6461 33 C 4.5872 8.1263 116.7532 57.7176 39.6311 174.7905 34 S 4.4096 8.5582 122.2334 57.5894 64.4679 175.0604 35 S 3.7843 8.4595 121.7064 59.3244 62.8626 171.3292 36 R 4.2851 8.5952 131.2767 55.3668 36.3779 176.4219 37 G 4.6318 9.7950 116.0762 46.3372 0.0000 174.6634 38 K 4.1553 7.4261 120.8968 53.4155 30.5220 177.4090 39 V 4.1041 6.5192 105.8671 60.7387 33.9020 172.2739 40 V 4.4273 7.5577 117.1104 59.6401 36.3963 174.4813 41 E 4.4524 7.9301 119.3382 55.7525 33.2894 174.1706 42 L 4.5370 8.6989 126.6736 53.1682 46.2185 175.9543 43 G 4.4675 8.5503 116.6395 45.2987 0.0000 170.5136 44 C 5.7561 8.3801 116.6859 54.8606 43.2084 174.8856 45 A 4.3187 8.2909 122.1318 50.3136 20.1077 174.2069 46 A 3.8128 8.2600 121.9962 50.1783 18.7137 178.3372 47 T 3.8267 8.6675 105.5472 66.6003 67.4026 176.4111 48 C 3.5639 7.3965 125.3683 57.5990 41.5361 171.6360 49 P 4.2121 0.0000 0.0000 63.4351 32.7452 177.6245 50 S 4.2318 6.9668 115.7468 55.9566 60.1138 170.0077 51 K 4.3367 7.9788 124.6435 55.6879 35.9577 173.7282 52 K 4.5687 9.1544 120.5681 57.8605 34.4308 178.4084 53 P 3.9317 0.0000 0.0000 65.1462 34.0307 175.9642 54 Y 4.8308 7.4361 116.0844 58.3720 38.4378 174.5026 55 E 4.7278 8.9756 134.2365 57.5601 31.5910 176.1715 56 E 4.1060 8.9258 125.5550 57.2627 31.0888 177.1820 57 V 4.4789 8.0942 120.4779 63.5045 34.6071 173.6975 58 T 4.5027 7.7403 119.3560 63.1317 69.8463 173.8909 59 C 5.3210 8.3022 123.9881 55.1304 41.4015 174.9059 60 C 4.3527 7.6211 118.7764 57.1404 43.0956 173.8014 61 S 4.7875 8.5823 106.2806 59.6618 60.6280 171.5677 62 T 4.7374 8.7756 106.2167 60.4886 72.0220 173.6035 63 D 5.2769 8.1052 126.5195 54.7733 39.2183 177.2970 64 K 4.8258 8.4994 130.0138 56.1479 30.9052 177.4529 65 C 5.7999 7.9934 121.1006 57.2862 40.6710 174.2335 66 N 4.7349 7.6110 118.7442 52.4107 37.0023 175.6380 67 H 4.5499 7.9836 115.2415 54.6422 29.8093 173.3975 68 P 4.1884 0.0000 0.0000 62.9912 30.0322 176.7056 69 P 3.9525 0.0000 0.0000 64.5697 32.3249 177.2883 70 K 4.1899 8.3281 120.0858 59.8114 33.5463 176.8713 71 R 4.6461 7.7740 116.5654 54.6826 33.8945 177.4659 72 Q 5.2059 9.5974 135.0000 57.5649 29.2691 172.3167 73 P 4.1045 0.0000 0.0000 64.3535 31.9251 176.2416 74 G 3.7017 7.6063 110.1089 46.0793 0.0000 172.6944 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 I 8.02 4.08 1.88 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 1.31 1.14 0.92 0.00 0.00 2 V 8.34 3.79 2.11 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 0.84 0.00 0.00 0.95 0.00 0.00 3 C 7.33 3.99 0.00 3.05 3.14 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 0.00 4 H 8.36 4.76 0.00 3.15 3.21 0.00 5.76 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.54 4.27 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 1.29 0.00 0.00 6 T 8.45 4.28 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 1.18 0.00 0.00 7 A 8.14 5.94 1.20 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 0.00 0.00 8 T 7.49 3.27 4.21 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 1.19 0.00 0.00 9 I 8.55 2.97 1.84 0.00 0.00 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 1.39 0.59 0.88 0.00 0.00 10 P 0.00 4.46 0.00 2.08 1.98 0.00 3.93 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 11 S 8.34 4.60 0.00 3.80 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 12 S 8.53 4.51 0.00 3.90 3.80 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 13 A 9.34 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.06 3.62 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 0.85 0.00 0.00 1.08 0.00 0.00 15 T 7.92 3.32 4.25 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 1.23 0.00 0.00 16 C 8.21 4.16 0.00 3.11 3.13 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 17 P 0.00 5.04 0.00 2.12 2.01 0.00 3.53 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.07 0.00 18 P 0.00 4.51 0.00 2.07 2.03 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 19 G 9.94 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 9.29 4.08 0.00 2.01 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 2.16 2.27 0.00 21 N 8.67 4.66 0.00 2.99 3.04 0.00 0.00 6.30 7.79 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 22 L 8.39 3.57 0.00 2.15 1.81 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 23 C 8.88 5.40 0.00 2.92 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 24 Y 8.67 5.22 0.00 3.27 3.04 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 0.00 0.00 0.00 0.00 25 R 8.20 4.76 0.00 1.73 1.79 0.00 3.22 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 26 K 8.88 4.67 0.00 1.80 1.56 0.00 1.82 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.41 7.81 27 M 9.30 3.69 0.00 2.20 2.05 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 28 W 8.46 4.46 0.00 3.52 3.01 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 29 C 7.84 5.16 0.00 3.09 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 30 D 8.05 4.04 0.00 3.13 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 31 A 6.35 3.84 0.77 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 0.00 0.00 32 F 7.39 4.87 0.00 2.89 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 33 C 8.13 4.59 0.00 3.00 3.13 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 34 S 8.56 4.41 0.00 3.85 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 35 S 8.46 3.78 0.00 4.04 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 36 R 8.60 4.29 0.00 1.79 1.14 0.00 3.18 0.00 0.00 3.23 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 37 G 9.80 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.43 4.16 0.00 1.72 1.73 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.40 7.81 39 V 6.52 4.10 2.02 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 0.59 0.00 0.00 0.90 0.00 0.00 40 V 7.56 4.43 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 0.19 0.00 0.00 0.70 0.00 0.00 41 E 7.93 4.45 0.00 1.77 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.11 0.00 42 L 8.70 4.54 0.00 1.48 1.67 0.76 0.81 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 43 G 8.55 4.47 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 44 C 8.38 5.76 0.00 3.29 3.42 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 45 A 8.29 4.32 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 46 A 8.26 3.81 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.67 3.83 4.19 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 1.19 0.00 0.00 48 C 7.40 3.56 0.00 2.96 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 49 P 0.00 4.21 0.00 1.90 2.00 0.00 2.26 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.82 0.00 50 S 6.97 4.23 0.00 3.93 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 51 K 7.98 4.34 0.00 1.94 2.14 0.00 1.88 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.43 7.81 52 K 9.15 4.57 0.00 1.71 1.50 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.48 7.81 53 P 0.00 3.93 0.00 2.17 2.24 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 54 Y 7.44 4.83 0.00 2.91 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.98 4.73 0.00 1.97 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 0.00 2.37 2.48 0.00 56 E 8.93 4.11 0.00 2.11 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 2.46 2.42 0.00 57 V 8.09 4.48 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 0.78 0.00 0.00 1.14 0.00 0.00 58 T 7.74 4.50 4.33 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 1.30 0.00 0.00 59 C 8.30 5.32 0.00 2.99 3.01 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 60 C 7.62 4.35 0.00 3.02 3.30 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 0.00 61 S 8.58 4.79 0.00 3.97 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 0.00 62 T 8.78 4.74 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 1.23 0.00 0.00 63 D 8.11 5.28 0.00 2.92 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.50 4.83 0.00 1.72 1.18 0.00 1.89 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.55 7.81 65 C 7.99 5.80 0.00 3.10 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 66 N 7.61 4.73 0.00 2.78 2.87 0.00 0.00 5.98 7.90 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 67 H 7.98 4.55 0.00 3.11 3.33 0.00 5.92 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.19 0.00 2.00 1.51 0.00 3.51 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.83 0.00 69 P 0.00 3.95 0.00 2.26 2.09 0.00 4.39 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 70 K 8.33 4.19 0.00 1.91 1.97 0.00 1.77 0.00 0.00 1.92 0.00 0.00 3.21 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.52 1.64 7.81 71 R 7.77 4.65 0.00 1.82 0.88 0.00 3.52 0.00 0.00 3.28 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 72 Q 9.60 5.21 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.69 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 73 P 0.00 4.10 0.00 2.00 1.97 0.00 3.85 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.86 0.00 74 G 7.61 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00