NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 L 4.1156 8.1844 120.9351 55.4250 42.5501 176.8215 22 K 3.3482 7.5642 120.3430 54.3592 32.2696 173.5924 23 S 5.0509 8.7665 120.4806 56.6577 67.6877 173.3802 24 F 5.1169 9.0914 117.6545 53.9239 39.0560 174.3889 25 P 4.3661 0.0000 0.0000 65.4103 31.6621 179.2591 26 E 4.0257 8.1962 116.3598 58.2297 29.7908 178.4426 27 V 3.6103 7.6598 119.3760 64.0766 32.0398 175.9686 28 V 4.0257 7.3968 120.3194 64.2952 31.6293 176.1205 29 G 3.9998 9.1894 116.4653 45.1650 0.0000 173.8718 30 K 4.3424 7.7850 119.5989 55.8647 33.0387 176.7298 31 T 4.6347 8.5522 112.1246 61.0405 70.9645 176.0001 32 V 3.4405 8.1997 121.0138 66.2958 31.3681 177.8128 33 D 4.1995 7.8944 117.8941 57.5645 40.7216 178.7578 34 Q 3.9923 7.9802 117.8947 58.9278 28.7242 178.7555 35 A 4.1877 8.3361 122.0241 55.0906 18.4269 179.8203 36 R 3.9564 8.2665 117.1272 59.4447 30.0436 178.8385 37 E 3.9217 8.1607 118.9793 59.3351 29.5536 178.0262 38 Y 4.0669 8.1699 119.4800 60.9729 38.8961 178.2868 39 F 4.1909 8.5307 118.4844 60.7912 38.8052 177.8051 40 T 3.9051 7.8726 114.3339 66.8258 68.3914 176.4341 41 L 3.9971 7.9916 119.6865 57.2868 41.7203 178.3258 42 H 4.4701 7.9446 113.8151 55.4963 31.2877 174.5814 43 Y 4.9066 8.2574 118.6478 56.0722 38.4716 174.4592 44 P 4.4983 0.0000 0.0000 64.7179 32.1289 178.0969 45 Q 4.0968 7.9406 116.2924 57.9788 29.2279 175.3794 46 Y 4.7921 7.6037 116.5310 57.0455 39.5846 175.7216 47 N 4.5156 9.5457 123.0160 52.7923 39.0305 173.1749 48 V 4.2647 7.7255 125.0008 61.4348 33.2109 174.3682 49 Y 4.6569 8.3940 124.4990 56.1600 41.6852 174.2117 50 F 5.0033 9.0676 122.5561 55.9242 40.6307 175.1893 51 L 4.9850 9.0568 123.5270 51.9393 46.2379 174.4966 52 P 3.8222 0.0000 0.0000 61.8232 32.4422 175.9719 53 E 4.1543 8.6878 122.7678 58.0567 29.8011 177.7293 54 G 3.8601 8.4322 109.4719 45.2734 0.0000 174.0131 55 S 4.2638 7.4750 115.8406 57.7073 63.3890 172.3675 56 P 4.4837 0.0000 0.0000 62.7275 31.9380 175.8869 57 V 4.5458 7.8645 113.4471 59.4871 35.8535 175.0079 58 T 4.0844 8.2765 111.2471 62.1206 69.1648 174.2549 59 L 4.6995 8.1910 121.9832 54.4391 42.3268 176.1116 60 D 4.7098 7.8702 117.8634 51.9601 41.5956 175.1699 61 L 4.6454 8.2105 118.4718 53.0870 43.4367 176.5754 62 R 4.4651 8.3023 123.1740 54.5137 31.8340 176.2063 63 Y 4.8497 8.6089 120.4597 59.3011 38.3212 175.9506 64 N 5.1704 8.3191 117.0186 52.4056 38.2180 173.5306 65 R 5.1726 7.9734 119.7755 54.8870 33.1626 174.9418 66 V 4.3868 8.6772 124.7818 61.2593 34.4767 174.1379 67 R 4.5275 8.4657 127.5690 54.7613 31.5283 175.9942 68 V 4.0178 8.5151 125.6088 61.0443 32.3399 174.1714 69 F 5.9695 8.9457 126.6107 55.4761 41.2653 174.4467 70 Y 5.2873 8.1414 119.8424 55.1759 42.4583 173.5708 71 N 5.1935 9.2075 119.6695 52.1113 39.2274 174.1973 72 P 4.7323 0.0000 0.0000 65.6205 31.9693 178.1735 72A G 3.7394 8.5833 108.2925 48.2610 0.0000 174.5325 73 T 4.3244 8.1096 107.4364 60.4165 70.1837 173.9458 74 N 4.3119 8.7057 119.8631 54.6052 36.8330 173.5953 75 V 4.7012 7.6013 115.9073 60.7399 34.3605 174.3817 76 V 4.2570 8.7531 127.3034 63.0140 31.1819 175.6421 77 N 4.9909 8.3628 124.2325 52.6049 37.5435 174.0470 78 H 4.8957 7.8640 114.4931 54.0215 32.4705 173.0500 79 V 3.9041 8.4667 123.7191 62.4220 31.8328 173.9678 80 P 4.8027 0.0000 0.0000 62.9100 32.7028 174.9480 81 H 5.4503 8.1361 116.6024 53.9273 31.8095 173.0983 82 V 3.9133 8.5419 119.8849 62.5953 32.2741 176.3278 83 G 3.6526 8.4606 114.2891 45.5494 0.0000 172.8542 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 21 L 8.18 4.12 0.00 1.64 1.73 0.83 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.56 3.35 0.00 1.73 1.56 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.48 0.98 7.81 23 S 8.77 5.05 0.00 4.06 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 24 F 9.09 5.12 0.00 3.08 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 25 P 0.00 4.37 0.00 2.22 2.32 0.00 3.76 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 2.08 1.95 0.00 26 E 8.20 4.03 0.00 2.03 2.24 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 1.99 2.17 0.00 27 V 7.66 3.61 2.29 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 1.07 0.00 0.00 0.34 0.00 0.00 28 V 7.40 4.03 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 0.82 0.00 0.00 1.08 0.00 0.00 29 G 9.19 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.78 4.34 0.00 1.99 1.73 0.00 1.54 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.28 0.00 0.00 0.00 0.00 1.41 1.36 7.81 31 T 8.55 4.63 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 1.20 0.00 0.00 32 V 8.20 3.44 1.75 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 0.44 0.00 0.00 0.32 0.00 0.00 33 D 7.89 4.20 0.00 2.65 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 3.99 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 35 A 8.34 4.19 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 3.96 0.00 1.83 1.85 0.00 2.83 0.00 0.00 2.80 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.85 0.00 37 E 8.16 3.92 0.00 2.06 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 0.00 2.33 2.32 0.00 38 Y 8.17 4.07 0.00 3.21 3.10 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 39 F 8.53 4.19 0.00 3.46 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.87 3.91 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 1.20 0.00 0.00 41 L 7.99 4.00 0.00 1.19 1.38 0.86 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 42 H 7.94 4.47 0.00 2.32 2.54 0.00 5.60 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 8.26 4.91 0.00 3.40 3.43 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 0.00 0.00 0.00 0.00 44 P 0.00 4.50 0.00 2.16 2.17 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 45 Q 7.94 4.10 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.88 0.00 0.00 0.00 0.00 0.00 1.44 1.88 0.00 46 Y 7.60 4.79 0.00 3.13 2.81 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 0.00 0.00 0.00 47 N 9.55 4.52 0.00 2.85 2.88 0.00 0.00 6.74 7.62 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 48 V 7.73 4.26 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 -0.08 0.00 0.00 0.56 0.00 0.00 49 Y 8.39 4.66 0.00 2.78 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 9.07 5.00 0.00 2.96 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 51 L 9.06 4.98 0.00 1.14 1.49 0.67 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 3.82 0.00 1.95 1.71 0.00 3.57 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 53 E 8.69 4.15 0.00 1.97 2.05 0.00 0.00 0.00 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 2.26 0.00 54 G 8.43 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 55 S 7.48 4.26 0.00 4.10 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 P 0.00 4.48 0.00 2.17 2.03 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 57 V 7.86 4.55 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 0.91 0.00 0.00 1.00 0.00 0.00 58 T 8.28 4.08 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 1.18 0.00 0.00 59 L 8.19 4.70 0.00 1.62 1.68 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 60 D 7.87 4.71 0.00 2.75 2.67 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 61 L 8.21 4.65 0.00 1.58 1.72 1.01 0.96 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 62 R 8.30 4.47 0.00 1.88 1.86 0.00 3.14 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 63 Y 8.61 4.85 0.00 2.99 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 64 N 8.32 5.17 0.00 2.96 3.13 0.00 0.00 5.68 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 65 R 7.97 5.17 0.00 2.01 2.17 0.00 2.96 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.92 0.00 66 V 8.68 4.39 1.45 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 0.46 0.00 0.00 0.44 0.00 0.00 67 R 8.47 4.53 0.00 1.60 1.20 0.00 3.22 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.55 0.00 68 V 8.52 4.02 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 0.00 0.00 0.78 0.00 0.00 0.06 0.00 0.00 69 F 8.95 5.97 0.00 3.03 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 70 Y 8.14 5.29 0.00 3.28 3.16 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 71 N 9.21 5.19 0.00 3.08 2.85 0.00 0.00 7.34 7.24 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 72 P 0.00 4.73 0.00 2.28 2.21 0.00 3.83 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 2.00 1.90 0.00 72A G 8.58 3.74 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 0.00 0.00 0.00 73 T 8.11 4.32 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 1.25 0.00 0.00 74 N 8.71 4.31 0.00 2.90 2.87 0.00 0.00 6.24 7.25 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 75 V 7.60 4.70 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 1.04 0.00 0.00 0.98 0.00 0.00 76 V 8.75 4.26 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 1.15 0.00 0.00 1.14 0.00 0.00 77 N 8.36 4.99 0.00 2.95 2.87 0.00 0.00 6.81 7.78 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 78 H 7.86 4.90 0.00 3.28 3.27 0.00 5.70 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.47 3.90 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 0.87 0.00 0.00 0.98 0.00 0.00 80 P 0.00 4.80 0.00 2.23 1.86 0.00 3.98 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.17 0.00 81 H 8.14 5.45 0.00 3.14 3.27 0.00 5.72 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 V 8.54 3.91 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 0.89 0.00 0.00 0.76 0.00 0.00 83 G 8.46 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00