NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.2741 8.2601 123.5806 51.2482 19.5477 176.7893 5 A 4.5519 7.4107 117.6786 51.0507 21.7045 173.7585 6 D 4.6148 8.6185 119.1100 55.3284 39.5935 172.9680 7 T 4.1852 7.0721 107.1008 60.5157 69.6911 172.5738 8 P 4.4127 0.0000 0.0000 62.8694 32.0390 175.9430 9 T 4.6001 8.1447 111.2667 60.2295 70.7333 173.8258 10 A 4.4235 8.3386 125.7948 51.7613 20.0038 176.9963 11 C 4.9982 8.5814 118.7601 55.2321 44.5126 174.1348 12 C 4.7180 8.3599 118.5918 55.5575 41.3225 173.9064 13 F 4.6069 8.3927 121.3773 57.1840 40.1361 175.3734 14 S 4.2979 7.4156 113.3763 57.1994 65.3152 173.1741 15 Y 5.0932 7.8332 119.7610 56.0837 40.0094 175.7236 16 T 4.0657 8.6137 118.1603 62.8536 68.0262 174.4414 17 S 4.3983 8.8544 123.6965 60.7810 63.3127 174.8646 18 R 4.4882 7.6338 117.9506 53.6449 31.7683 175.7113 19 Q 2.0000 8.1730 123.0492 55.9562 29.2050 175.9066 20 I 3.7552 5.7266 125.7272 59.2892 37.9861 173.9768 21 P 3.7762 0.0000 0.0000 62.7530 31.8108 177.3191 22 Q 3.8759 8.4012 123.0333 59.0126 29.2837 177.7421 23 N 4.5500 7.8979 113.9716 55.5389 38.7823 175.5666 24 F 4.6941 8.1769 116.4472 58.2268 39.5138 174.9854 25 I 4.4557 7.4749 122.0090 59.8676 37.7322 175.3165 26 A 4.5311 8.9172 128.1013 54.0773 19.8389 176.3863 27 A 4.7101 7.7794 115.0677 52.0458 22.5670 174.5952 28 Y 5.2844 8.2416 115.9221 55.9001 41.3816 174.6042 29 F 4.4013 8.9036 118.4494 55.5360 43.4577 174.3674 30 E 4.4555 8.5740 122.4350 56.6250 30.1863 176.5794 31 T 4.4450 8.3099 113.0033 60.0750 71.5643 174.2942 32 S 4.2712 7.8347 119.1180 58.3058 62.8742 175.6463 33 S 4.2378 8.5689 120.4735 61.1623 62.8595 175.6731 34 Q 4.1215 8.2243 120.0109 58.3915 28.9722 176.2385 35 C 4.4894 7.9325 116.1079 56.5955 40.7226 175.0438 36 S 3.9347 8.6714 117.3326 60.2590 63.0066 174.4733 37 K 4.7178 6.8971 116.3881 53.2930 34.8233 174.2072 38 P 4.4318 0.0000 0.0000 63.2626 32.1179 176.1891 39 G 4.2474 7.8404 103.5272 46.2855 0.0000 172.3244 40 V 4.8761 8.3915 123.6753 60.8245 34.8315 174.0634 41 I 4.9136 8.6570 128.3705 59.7650 39.4965 174.5192 42 F 5.2891 9.2404 126.3336 56.0535 41.3233 174.4615 43 L 5.3456 9.2418 125.8287 53.7426 43.8571 175.8837 44 T 4.8510 9.0976 117.2221 60.6246 70.3226 176.0890 45 K 3.3322 8.8483 122.6932 59.5455 32.1739 178.1000 46 R 4.1863 7.9303 116.3353 56.1304 29.9190 176.1084 47 S 4.0077 8.9258 111.9728 59.7360 60.8528 170.0556 48 R 4.3727 8.2564 121.6094 55.9889 31.2379 174.9509 49 Q 5.2919 8.6587 124.4371 54.3652 30.8783 175.1604 50 V 4.6106 8.8072 122.9054 61.3722 35.4559 173.5831 51 C 5.2504 9.0019 124.3962 56.6469 41.9034 172.3799 52 A 5.2573 9.4750 124.0940 50.0021 22.9984 174.8218 53 D 3.5870 8.2488 120.0843 52.8302 41.6213 175.7016 54 P 4.1803 0.0000 0.0000 64.6459 31.5308 177.1062 55 S 4.3974 8.7425 112.2403 58.1949 63.6374 173.7048 56 E 4.3451 7.6202 122.3969 55.2567 30.5010 176.6973 57 E 4.0465 9.1183 123.0054 59.7585 29.2891 179.6698 58 W 4.2543 8.1607 117.0574 59.1417 28.1067 178.3348 59 V 3.2082 6.7146 118.9344 65.6095 30.8501 178.0210 60 Q 3.8884 7.7960 117.4287 58.6960 28.5064 178.5322 61 K 3.9114 8.1715 120.7347 59.5774 32.2485 178.1802 62 Y 3.9587 8.1031 119.8019 60.6016 38.5012 178.1374 63 V 3.0690 7.6610 117.8792 66.1236 31.6803 177.8386 64 S 4.1550 8.1068 113.6275 61.6158 62.6553 175.8973 65 D 4.3315 8.2735 121.1139 55.9297 40.9292 176.3235 66 L 3.7426 6.9237 121.3584 56.0338 42.9583 176.5006 67 E 3.7678 8.6833 125.1326 57.7693 26.7229 174.4745 68 L 4.3174 7.6537 121.4477 55.8319 40.5086 176.9307 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 4 A 8.26 4.27 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 5 A 7.41 4.55 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 6 D 8.62 4.61 0.00 2.81 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 7 T 7.07 4.19 4.22 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 1.20 0.00 0.00 8 P 0.00 4.41 0.00 2.05 2.02 0.00 3.64 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 9 T 8.14 4.60 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 1.20 0.00 0.00 10 A 8.34 4.42 1.19 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 0.00 0.00 0.00 11 C 8.58 5.00 0.00 2.43 2.37 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 12 C 8.36 4.72 0.00 2.93 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 13 F 8.39 4.61 0.00 2.96 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 14 S 7.42 4.30 0.00 3.88 3.75 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 15 Y 7.83 5.09 0.00 3.08 2.98 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 16 T 8.61 4.07 4.42 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 1.61 0.00 0.00 17 S 8.85 4.40 0.00 3.94 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 7.63 4.49 0.00 1.71 1.72 0.00 3.23 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 19 Q 8.17 2.00 0.00 1.01 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.90 0.00 0.00 0.00 0.00 0.00 1.68 1.18 0.00 20 I 5.73 3.76 1.50 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.48 0.83 0.00 0.00 21 P 0.00 3.78 0.00 0.49 1.23 0.00 3.18 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.64 0.00 22 Q 8.40 3.88 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.91 0.00 0.00 0.00 0.00 0.00 2.55 2.76 0.00 23 N 7.90 4.55 0.00 2.75 3.01 0.00 0.00 6.92 7.45 0.00 0.00 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 F 8.18 4.69 0.00 3.04 2.94 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 0.00 0.00 0.00 25 I 7.47 4.46 1.74 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.30 0.60 0.00 0.00 26 A 8.92 4.53 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 27 A 7.78 4.71 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 28 Y 8.24 5.28 0.00 2.60 2.97 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 29 F 8.90 4.40 0.00 2.74 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.57 4.46 0.00 1.79 1.83 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 2.14 2.19 0.00 31 T 8.31 4.45 4.28 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 1.21 0.00 0.00 32 S 7.83 4.27 0.00 3.90 3.75 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 33 S 8.57 4.24 0.00 4.01 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 34 Q 8.22 4.12 0.00 2.04 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 35 C 7.93 4.49 0.00 3.02 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 36 S 8.67 3.93 0.00 4.05 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 37 K 6.90 4.72 0.00 1.87 1.80 0.00 1.80 0.00 0.00 1.84 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.41 7.81 38 P 0.00 4.43 0.00 2.04 1.97 0.00 3.82 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 39 G 7.84 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 0.00 0.00 0.00 0.00 40 V 8.39 4.88 1.83 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 0.47 0.00 0.00 0.87 0.00 0.00 41 I 8.66 4.91 1.96 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.66 1.01 0.00 0.00 42 F 9.24 5.29 0.00 3.07 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 43 L 9.24 5.35 0.00 2.01 1.90 1.01 0.75 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 44 T 9.10 4.85 4.38 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 1.34 0.00 0.00 45 K 8.85 3.33 0.00 1.77 1.96 0.00 1.84 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.54 1.66 7.81 46 R 7.93 4.19 0.00 1.70 1.90 0.00 3.32 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 47 S 8.93 4.01 0.00 4.00 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 48 R 8.26 4.37 0.00 1.90 1.83 0.00 3.09 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 49 Q 8.66 5.29 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.47 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 50 V 8.81 4.61 2.33 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 1.24 0.00 0.00 1.05 0.00 0.00 51 C 9.00 5.25 0.00 3.15 3.19 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 0.00 52 A 9.47 5.26 1.32 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 0.00 0.00 0.00 53 D 8.25 3.59 0.00 1.75 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 0.00 0.00 0.00 54 P 0.00 4.18 0.00 1.96 1.98 0.00 3.40 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 1.91 1.99 0.00 55 S 8.74 4.40 0.00 3.87 3.88 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 56 E 7.62 4.35 0.00 1.79 1.80 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 2.30 2.14 0.00 57 E 9.12 4.05 0.00 2.18 2.26 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 2.50 2.41 0.00 58 W 8.16 4.25 0.00 3.55 3.36 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 59 V 6.71 3.21 1.71 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 0.93 0.00 0.00 -0.63 0.00 0.00 60 Q 7.80 3.89 0.00 2.30 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 61 K 8.17 3.91 0.00 1.94 1.88 0.00 1.57 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.49 7.81 62 Y 8.10 3.96 0.00 3.22 3.21 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 0.00 63 V 7.66 3.07 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 0.75 0.00 0.00 0.68 0.00 0.00 64 S 8.11 4.15 0.00 3.80 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 65 D 8.27 4.33 0.00 2.66 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.92 3.74 0.00 1.01 1.38 0.86 0.99 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 67 E 8.68 3.77 0.00 2.10 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 2.21 2.21 0.00 68 L 7.65 4.32 0.00 1.65 1.55 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00