NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 F 5.0094 8.3249 119.3988 57.7721 39.7844 173.9834 4 R 4.2773 8.7335 125.1462 56.9879 31.7795 175.9781 5 I 3.9343 8.7175 119.4068 62.3295 39.1485 175.2987 6 R 5.1963 9.1336 123.8703 54.4758 34.7540 174.3302 7 K 4.7399 9.1612 120.0092 54.7293 36.3191 173.2892 8 C 5.4351 8.1937 115.6174 52.6567 40.8648 172.8299 9 P 3.9842 0.0000 0.0000 66.3921 31.5909 178.8975 10 K 3.9858 8.0304 118.4695 59.3545 31.8699 177.5221 11 C 4.3446 8.2526 109.2709 57.0403 30.5633 173.4321 12 G 3.9103 7.5986 108.5566 46.5392 0.0000 172.7804 13 R 4.6877 7.0976 117.3070 55.0814 34.7888 175.3622 14 Y 5.0021 8.7547 121.0590 57.0726 39.6087 174.6783 15 T 4.1833 7.9901 114.6642 62.3708 70.3621 173.1539 16 L 4.4380 8.7985 124.8013 54.9925 42.2739 177.1199 17 K 4.4187 9.0188 119.6397 55.6101 33.7095 176.0410 18 E 4.4646 8.4320 116.2933 56.8783 30.2267 176.6543 19 V 4.8199 7.4143 109.8235 59.7634 35.7537 175.7138 20 C 4.8031 8.5152 120.0465 54.7574 34.9594 173.3368 21 P 4.1765 0.0000 0.0000 65.5413 31.2675 179.9729 22 V 3.6125 7.4147 110.7191 64.4748 31.5770 176.8718 23 C 4.4977 8.2446 109.1894 57.6858 33.5695 173.7762 24 G 3.9570 8.2136 109.5391 47.1192 0.0000 173.0279 25 E 4.7041 7.3914 117.8993 54.0156 33.2201 176.2594 26 K 4.7213 8.8011 126.0388 56.7092 33.2153 176.2134 27 T 4.6773 9.1775 113.7931 60.5547 71.0526 174.0810 28 K 4.6711 8.4318 123.7592 54.4373 35.0637 176.1893 29 V 4.0371 8.2502 121.6749 61.9431 31.6293 176.3222 30 A 4.0671 8.7083 127.2296 55.7281 18.3981 178.4620 31 H 4.4963 8.0136 114.4054 53.4673 27.2315 172.8091 32 P 4.2848 0.0000 0.0000 61.5506 32.0168 174.6198 33 P 4.2479 0.0000 0.0000 63.2662 31.2688 176.5305 34 R 4.2427 8.5529 120.8726 56.4985 30.7157 175.6557 35 F 5.1126 8.4540 120.5048 56.6328 42.6578 173.7646 36 S 4.4262 7.8229 120.4693 55.4357 64.9825 172.9178 37 P 3.7881 0.0000 0.0000 65.3255 31.1567 177.1718 38 E 3.7684 8.0460 116.7058 59.0681 29.8740 176.6565 39 D 4.2949 8.1623 116.3700 54.8365 39.9001 170.7948 40 P 4.4433 0.0000 0.0000 62.3419 33.1582 176.8327 41 Y 3.8864 8.3446 113.2564 59.0553 36.1673 172.4088 42 G 3.8920 7.8867 106.9952 47.6853 0.0000 175.5072 43 E 4.1879 8.1922 121.6826 58.1509 29.8504 178.0911 44 Y 4.4505 8.0270 119.6737 60.7206 39.0001 177.5857 45 R 4.0055 8.9050 120.1147 59.3770 30.1619 178.3073 46 R 4.0129 8.1739 117.9848 59.7611 29.6875 179.1891 47 R 3.9576 8.2344 117.5460 58.9624 29.8404 178.9085 48 W 4.2129 7.5721 126.7458 60.1115 30.9028 178.1319 49 K 3.7738 8.2190 118.5535 59.5503 31.6486 179.3928 50 R 3.8511 8.1331 118.5600 59.4223 29.5361 178.6683 51 E 3.7930 7.6463 118.3806 59.2628 29.5401 178.6242 52 V 3.8236 6.9537 108.4030 62.0092 31.5832 177.1037 53 L 4.6073 7.6088 117.5547 53.5726 43.7721 177.0193 54 G 3.8540 8.2394 105.3916 45.8614 0.0000 173.2151 55 I 3.9505 7.8256 126.1801 61.1557 37.1460 176.0652 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 3 F 8.32 5.01 0.00 2.94 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.73 4.28 0.00 1.94 2.02 0.00 3.27 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.78 0.00 5 I 8.72 3.93 1.98 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.89 1.10 0.00 0.00 6 R 9.13 5.20 0.00 1.76 1.95 0.00 3.31 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.89 0.00 7 K 9.16 4.74 0.00 1.42 1.39 0.00 1.40 0.00 0.00 1.47 0.00 0.00 2.44 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.30 0.85 7.81 8 C 8.19 5.44 0.00 3.00 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 9 P 0.00 3.98 0.00 2.14 2.15 0.00 3.91 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 10 K 8.03 3.99 0.00 1.95 1.91 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.37 7.81 11 C 8.25 4.34 0.00 3.05 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 12 G 7.60 3.91 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 0.00 0.00 0.00 13 R 7.10 4.69 0.00 1.69 1.79 0.00 3.12 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 14 Y 8.75 5.00 0.00 2.79 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.99 4.18 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 1.32 0.00 0.00 16 L 8.80 4.44 0.00 1.68 1.73 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 17 K 9.02 4.42 0.00 1.76 1.79 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.42 7.81 18 E 8.43 4.46 0.00 1.99 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 2.34 2.22 0.00 19 V 7.41 4.82 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 0.74 0.00 0.00 0.93 0.00 0.00 20 C 8.52 4.80 0.00 2.96 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 21 P 0.00 4.18 0.00 2.18 2.09 0.00 3.63 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 22 V 7.41 3.61 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 0.72 0.00 0.00 0.90 0.00 0.00 23 C 8.24 4.50 0.00 3.06 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 24 G 8.21 3.96 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 0.00 0.00 0.00 25 E 7.39 4.70 0.00 2.00 1.74 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 2.24 2.28 0.00 26 K 8.80 4.72 0.00 1.67 1.72 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.43 7.81 27 T 9.18 4.68 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 1.27 0.00 0.00 28 K 8.43 4.67 0.00 1.72 1.73 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.34 7.81 29 V 8.25 4.04 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 0.74 0.00 0.00 1.07 0.00 0.00 30 A 8.71 4.07 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 31 H 8.01 4.50 0.00 2.97 2.92 0.00 5.76 0.00 0.00 0.00 0.00 6.90 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 4.28 0.00 2.04 2.02 0.00 3.69 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 33 P 0.00 4.25 0.00 2.21 2.12 0.00 3.79 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 2.01 2.03 0.00 34 R 8.55 4.24 0.00 1.91 2.01 0.00 3.24 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 35 F 8.45 5.11 0.00 2.79 2.89 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 36 S 7.82 4.43 0.00 3.74 3.50 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 37 P 0.00 3.79 0.00 1.98 2.04 0.00 3.60 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.01 0.00 38 E 8.05 3.77 0.00 1.87 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 0.00 2.25 2.23 0.00 39 D 8.16 4.29 0.00 3.03 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.44 0.00 1.92 1.80 0.00 3.89 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 41 Y 8.34 3.89 0.00 3.35 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 42 G 7.89 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 43 E 8.19 4.19 0.00 2.16 2.04 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 2.43 2.50 0.00 44 Y 8.03 4.45 0.00 3.11 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 45 R 8.91 4.01 0.00 1.97 2.20 0.00 3.26 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.83 0.00 46 R 8.17 4.01 0.00 2.30 2.05 0.00 3.28 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 47 R 8.23 3.96 0.00 1.96 2.04 0.00 3.19 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.85 0.00 48 W 7.57 4.21 0.00 3.43 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 49 K 8.22 3.77 0.00 2.00 1.78 0.00 1.80 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.61 7.81 50 R 8.13 3.85 0.00 2.03 2.00 0.00 3.14 0.00 0.00 3.10 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 51 E 7.65 3.79 0.00 2.05 1.81 0.00 0.00 0.00 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 2.13 0.00 52 V 6.95 3.82 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 0.60 0.00 0.00 53 L 7.61 4.61 0.00 1.54 1.60 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.24 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 55 I 7.83 3.95 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.83 0.90 0.00 0.00