NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 55 R 4.2865 8.2544 119.7082 55.7642 32.3742 175.5174 56 K 3.8508 8.0568 119.5316 55.6387 32.5664 174.5521 57 R 4.5119 9.3789 126.7421 55.1602 31.2631 174.7082 58 N 4.7954 8.6585 118.9604 52.6915 39.2612 174.8951 59 R 4.2943 7.8269 119.4669 54.9263 31.0868 175.5071 60 I 4.0692 8.1068 126.7728 58.6346 37.2719 173.5364 61 P 4.2968 0.0000 0.0000 63.5211 31.1628 176.3071 62 L 4.4329 8.4344 119.3390 55.1033 42.6731 176.8766 63 R 4.5232 7.8417 115.7220 54.7314 30.9479 176.6350 64 C 3.8357 8.8193 116.9042 58.6599 31.2541 175.0263 65 T 3.9786 8.4458 112.9451 65.2164 68.2042 176.8171 66 I 3.7251 7.5995 122.0816 64.3561 37.1916 178.0020 67 C 4.2354 7.9924 117.1435 62.6889 27.9187 176.0046 68 R 3.9065 7.9823 119.6127 59.2241 29.5284 178.6340 69 K 3.8114 7.9127 118.0156 59.7627 32.2891 177.9896 70 R 4.1327 8.3171 115.3242 55.6791 30.4458 175.6996 71 K 3.8578 8.1478 116.1557 58.6961 30.4120 174.3930 72 V 4.6205 7.5422 112.3324 59.5121 34.8177 174.5747 73 K 4.4014 8.4826 121.0674 55.6356 33.3417 175.6005 74 C 4.8506 8.4423 126.1980 57.7460 32.9335 173.3706 75 D 4.6979 9.5896 125.4294 53.0809 38.8130 176.5729 76 K 4.1479 7.6811 115.9728 56.2204 30.3769 174.6148 77 L 4.3137 7.7123 119.6801 54.5547 42.8708 175.9627 78 R 4.8981 8.0404 121.4788 53.6665 32.7169 174.7982 79 P 4.4873 0.0000 0.0000 64.6973 31.8999 176.1827 80 H 5.0539 7.7524 115.6878 52.9829 32.5159 173.4817 81 C 4.6403 8.6236 118.8340 58.5073 31.6157 174.7165 82 Q 4.1305 9.1099 122.4485 58.5733 28.6257 178.6424 83 Q 3.9848 7.4798 119.5437 59.3624 28.7636 178.1886 84 C 4.1752 7.9240 118.4189 62.7006 28.3857 176.1041 85 T 3.9113 7.7470 116.8022 66.6332 67.7602 176.8483 86 K 4.0470 7.9921 119.7069 59.5259 32.3528 178.9688 87 T 4.1719 7.9125 107.9747 62.1285 68.6394 176.0821 88 G 4.0602 7.8298 109.7608 45.9935 0.0000 174.4351 89 V 4.2686 7.2615 114.0876 60.7230 31.6433 177.8147 90 A 3.9666 7.8311 125.1334 55.2946 18.8893 179.5114 91 H 4.3841 8.3164 108.7539 56.9904 28.5899 175.6108 92 L 4.4425 7.1069 118.8788 54.6350 42.8581 176.1670 93 C 4.2586 7.7053 120.4111 59.7151 32.1737 172.2946 94 H 4.6995 8.2260 123.0360 55.3983 33.1577 171.3149 95 Y 4.7509 8.1362 122.3689 55.9952 40.3559 175.2130 96 M 3.9442 8.5777 124.0001 55.8666 32.3816 176.0773 97 E 4.4878 8.6420 121.5148 56.3523 30.7110 175.0683 98 Q 4.4876 7.2404 116.3645 53.3594 33.2968 174.5657 99 T 3.9969 8.7732 116.4851 63.0211 70.2570 176.1574 100 W 4.2079 8.4465 121.6347 60.0883 29.2404 178.8403 101 A 4.0992 8.1810 119.9602 54.7021 17.8785 179.2520 102 E 4.0427 7.9996 117.0757 59.2358 29.7856 178.5543 103 E 3.9789 8.4150 119.2253 58.8621 29.6364 178.7261 104 A 4.0022 8.3756 121.2823 55.1228 18.5582 179.0576 105 E 3.8613 7.9916 117.2271 59.4263 29.8339 178.7343 106 K 3.8683 8.0895 119.4920 59.9082 32.1363 178.4979 107 E 4.0677 8.4457 118.7203 58.8470 29.3382 179.0569 108 L 3.9417 8.0005 120.7433 58.2702 42.2532 179.1224 109 L 4.0463 8.0031 118.9152 57.4469 41.4780 179.4244 110 K 3.9563 7.8840 119.3617 59.3954 32.1192 178.3725 111 D 4.3350 8.1560 119.3367 57.6519 40.8523 178.4086 112 N 4.2807 8.0919 117.1982 56.8050 38.8326 176.4305 113 E 3.9508 8.0967 120.1986 58.9480 29.5837 178.5802 114 L 3.9300 7.8120 120.4798 58.0966 42.2052 179.1119 115 K 3.9535 8.0009 118.3807 59.5024 31.9190 179.6045 116 K 3.9975 8.1716 118.7277 59.2703 31.9047 179.2547 117 L 3.9345 8.2821 121.1015 58.0525 41.9338 179.0325 118 R 3.8724 8.2776 118.9363 59.5933 30.0892 178.4507 119 E 4.0114 8.2181 118.3738 59.1923 29.4012 179.3217 120 R 3.9403 8.2660 119.4248 59.1425 29.9211 178.7272 121 V 3.6043 7.8546 117.7288 65.7266 31.7640 177.8803 122 K 4.0972 8.4072 118.8895 59.5026 32.1024 179.1460 123 S 4.1252 8.0950 114.3545 61.8774 62.5141 176.6610 124 L 4.0905 7.8141 120.8608 56.6629 41.1995 178.6864 125 E 4.1140 8.4026 120.3362 58.6934 29.3866 178.3490 126 K 3.9433 8.0709 118.2839 60.2400 32.5123 178.4865 127 T 4.1864 7.4770 114.3866 65.8923 69.1416 174.4084 128 L 4.3646 7.2897 121.6264 53.8089 40.1292 175.9798 129 S 4.5688 8.1229 116.2999 58.8398 65.4244 174.7583 130 K 4.0392 7.8238 125.1861 56.7284 31.7411 174.6239 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 55 R 8.25 4.29 0.00 1.82 2.07 0.00 3.17 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 56 K 8.06 3.85 0.00 1.81 1.73 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.27 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.56 7.81 57 R 9.38 4.51 0.00 2.00 2.04 0.00 3.24 0.00 0.00 3.31 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.84 0.00 58 N 8.66 4.80 0.00 2.71 2.84 0.00 0.00 7.04 7.66 0.00 0.00 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 R 7.83 4.29 0.00 1.80 1.89 0.00 3.25 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 60 I 8.11 4.07 1.80 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.66 0.84 0.00 0.00 61 P 0.00 4.30 0.00 2.23 2.22 0.00 3.49 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.17 0.00 62 L 8.43 4.43 0.00 1.67 1.73 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 63 R 7.84 4.52 0.00 1.99 1.99 0.00 3.12 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 64 C 8.82 3.84 0.00 2.61 2.39 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 65 T 8.45 3.98 4.37 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 1.33 0.00 0.00 66 I 7.60 3.73 1.82 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 1.59 0.72 0.89 0.00 0.00 67 C 7.99 4.24 0.00 3.15 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 68 R 7.98 3.91 0.00 2.15 2.07 0.00 3.33 0.00 0.00 3.53 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.80 0.00 69 K 7.91 3.81 0.00 1.97 1.94 0.00 1.71 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.51 7.81 70 R 8.32 4.13 0.00 2.04 1.92 0.00 3.46 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 71 K 8.15 3.86 0.00 1.89 1.86 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.54 7.81 72 V 7.54 4.62 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 0.73 0.00 0.00 0.94 0.00 0.00 73 K 8.48 4.40 0.00 1.72 1.72 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.37 7.81 74 C 8.44 4.85 0.00 3.04 2.85 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 75 D 9.59 4.70 0.00 2.95 2.90 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 76 K 7.68 4.15 0.00 1.76 1.72 0.00 1.63 0.00 0.00 1.54 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.44 7.81 77 L 7.71 4.31 0.00 1.54 1.82 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.04 4.90 0.00 1.78 1.80 0.00 3.24 0.00 0.00 2.72 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.41 0.00 79 P 0.00 4.49 0.00 1.88 2.11 0.00 3.67 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 1.83 1.93 0.00 80 H 7.75 5.05 0.00 3.15 3.18 0.00 5.71 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 C 8.62 4.64 0.00 3.48 3.26 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 0.00 82 Q 9.11 4.13 0.00 2.20 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 83 Q 7.48 3.98 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.57 2.46 0.00 84 C 7.92 4.18 0.00 3.12 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 85 T 7.75 3.91 4.27 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 1.23 0.00 0.00 86 K 7.99 4.05 0.00 1.88 1.88 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.77 1.60 7.81 87 T 7.91 4.17 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 1.27 0.00 0.00 88 G 7.83 4.06 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 0.00 0.00 0.00 89 V 7.26 4.27 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 0.97 0.00 0.00 0.91 0.00 0.00 90 A 7.83 3.97 1.26 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 0.00 0.00 0.00 91 H 8.32 4.38 0.00 3.26 3.39 0.00 5.49 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.11 4.44 0.00 1.61 1.61 0.83 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.71 4.26 0.00 2.91 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 H 8.23 4.70 0.00 3.23 3.01 0.00 5.88 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 95 Y 8.14 4.75 0.00 2.87 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 M 8.58 3.94 0.00 1.80 1.74 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.24 0.00 97 E 8.64 4.49 0.00 1.92 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 2.24 2.24 0.00 98 Q 7.24 4.49 0.00 1.92 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 7.04 0.00 0.00 0.00 0.00 0.00 2.47 2.34 0.00 99 T 8.77 4.00 4.44 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 1.32 0.00 0.00 100 W 8.45 4.21 0.00 3.41 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 0.00 101 A 8.18 4.10 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 0.00 102 E 8.00 4.04 0.00 2.15 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 2.39 2.37 0.00 103 E 8.42 3.98 0.00 2.02 2.20 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 2.40 2.36 0.00 104 A 8.38 4.00 1.46 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 0.00 0.00 105 E 7.99 3.86 0.00 2.13 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 2.32 2.38 0.00 106 K 8.09 3.87 0.00 2.20 1.89 0.00 1.57 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.55 7.81 107 E 8.45 4.07 0.00 2.27 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 2.44 2.48 0.00 108 L 8.00 3.94 0.00 2.02 1.76 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.00 4.05 0.00 1.89 1.70 0.93 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 110 K 7.88 3.96 0.00 2.09 1.80 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.44 1.48 7.81 111 D 8.16 4.33 0.00 2.92 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 0.00 112 N 8.09 4.28 0.00 2.86 2.82 0.00 0.00 6.94 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.10 3.95 0.00 2.26 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 2.32 0.00 114 L 7.81 3.93 0.00 1.96 1.84 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.00 3.95 0.00 1.95 1.84 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.63 7.81 116 K 8.17 4.00 0.00 1.81 1.85 0.00 1.98 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.49 7.81 117 L 8.28 3.93 0.00 2.01 1.66 0.92 0.78 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 0.00 118 R 8.28 3.87 0.00 2.09 1.91 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 119 E 8.22 4.01 0.00 2.33 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 2.33 2.31 0.00 120 R 8.27 3.94 0.00 1.97 2.13 0.00 3.14 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 121 V 7.85 3.60 2.27 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 0.89 0.00 0.00 0.99 0.00 0.00 122 K 8.41 4.10 0.00 2.02 1.84 0.00 1.63 0.00 0.00 1.85 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.50 7.81 123 S 8.10 4.13 0.00 4.05 4.37 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 0.00 124 L 7.81 4.09 0.00 1.89 1.78 0.98 0.71 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 0.00 125 E 8.40 4.11 0.00 2.30 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 2.30 2.31 0.00 126 K 8.07 3.94 0.00 1.79 1.96 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.53 7.81 127 T 7.48 4.19 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 1.21 0.00 0.00 128 L 7.29 4.36 0.00 1.84 1.64 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 129 S 8.12 4.57 0.00 3.92 3.92 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 0.00 130 K 7.82 4.04 0.00 1.67 1.65 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.47 7.81