NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.0664 8.3101 121.7885 55.7266 34.0955 175.2705 20 A 4.1049 7.4066 115.4372 51.2864 20.8278 174.0349 21 K 4.3105 8.1934 123.0029 56.4569 33.5617 176.0704 22 V 4.3778 7.7899 123.2839 62.5522 31.4603 176.4545 23 K 4.4042 7.8638 120.3344 56.2844 33.5986 176.4448 24 A 4.5138 7.8491 118.7345 52.4484 19.4131 177.7716 25 T 4.1017 7.6185 113.2612 65.1125 69.0115 174.3640 26 L 4.9713 7.4107 119.7271 52.6662 46.2800 177.2273 27 G 4.0725 8.3541 116.5945 45.4435 0.0000 175.8195 28 E 4.1707 8.8740 123.4352 56.5697 28.1359 175.4068 29 F 4.9599 8.2085 117.5955 54.3618 40.6598 174.8143 30 D 4.1676 8.7830 124.5055 53.6380 41.6360 175.3909 31 L 4.6369 8.7934 126.3492 55.6683 41.1447 176.5833 32 R 5.3794 8.3406 134.4788 57.9440 29.0698 174.2721 33 D 4.3838 7.9339 117.0481 54.3749 42.1758 175.5616 34 Y 5.0067 7.0941 121.1119 55.3927 37.6373 175.1284 35 R 4.6311 7.9688 116.2781 56.4302 36.3096 177.2248 36 N 4.7167 8.1062 117.4074 52.4021 33.2340 175.5883 37 V 3.6327 7.6542 118.9436 65.6362 32.1804 178.0634 38 E 4.0636 8.0980 114.3064 57.7584 29.4298 178.4638 39 V 3.8291 7.3251 118.5513 65.1835 32.3115 177.5978 40 L 4.4706 8.4711 119.0080 57.7338 41.3642 179.1572 41 K 3.8971 8.5186 119.1082 58.8000 32.0718 176.2510 42 R 4.2399 7.1769 118.2443 56.7268 30.3821 175.9934 43 F 5.1156 8.1721 113.1063 56.3154 40.6509 176.7520 44 L 5.3054 8.3553 115.3675 54.8320 44.1366 177.5254 45 S 3.8210 7.9111 114.0942 59.3692 63.1465 172.0844 46 E 4.6961 8.5476 119.5718 56.8781 29.7408 176.8568 47 T 5.0698 7.4582 112.8501 62.4581 73.1897 174.6669 48 G 3.9876 7.9133 109.9310 45.4876 0.0000 174.9034 49 K 4.0313 8.1510 119.8457 56.7555 33.3989 176.6997 50 I 4.5367 8.3089 124.7760 60.5419 37.1308 175.7132 51 L 4.1786 8.3372 127.7124 54.4588 42.2180 176.2762 52 P 4.5693 0.0000 0.0000 62.1099 32.4444 177.2763 53 R 4.6013 8.3066 115.9054 57.9693 30.1887 179.5212 54 R 3.9278 7.9986 116.9023 59.4464 30.6714 178.2260 55 R 4.1751 7.9713 116.4880 58.9050 31.0739 179.2180 56 T 4.0025 8.7839 108.8694 64.1934 69.4322 173.2557 57 G 4.0220 7.9580 112.5663 44.9977 0.0000 171.5828 58 L 4.8486 7.5301 121.8213 52.6807 45.8490 176.5967 59 S 4.4768 9.8129 114.7345 57.6891 63.9219 174.2114 60 A 3.9551 8.4406 125.4086 55.2901 18.0480 179.5938 61 K 3.8291 7.9823 116.5761 60.1591 32.3060 178.0879 62 E 3.8812 8.2589 118.0920 59.3744 29.1875 178.4147 63 Q 4.0114 8.3106 121.3107 59.2041 29.5957 178.3859 64 R 4.1372 7.7894 118.8332 57.9113 30.0926 177.8638 65 I 3.5925 7.9665 113.9573 65.1698 37.5421 177.1909 66 L 3.7657 8.4700 121.7106 57.8254 41.6115 178.3807 67 A 3.6724 7.8394 119.5683 55.4532 18.2735 179.4436 68 K 3.8545 8.2613 117.0447 59.7861 32.1763 179.4633 69 T 3.7921 8.2236 109.5838 65.4697 68.4687 176.4823 70 I 3.5520 8.1239 123.0688 63.6567 37.4102 177.5763 71 K 3.8803 8.2925 119.4562 59.9185 31.9696 178.9770 72 R 3.7214 7.6245 117.3500 59.8079 30.0183 178.4575 73 A 4.1961 8.1399 119.8387 55.8162 18.1067 179.9897 74 R 4.2134 7.4663 116.7342 58.8173 30.2940 178.9411 75 I 4.1568 8.2416 120.1099 64.2897 36.8365 177.7541 76 L 4.6684 7.8558 116.8832 54.5010 41.8858 177.3120 77 G 4.0303 7.7541 104.5942 46.4612 0.0000 175.7309 78 L 4.1736 7.5009 119.3987 56.6530 42.2981 176.8472 79 L 4.2808 7.4359 116.8318 53.2483 42.5904 175.0913 80 P 4.4624 0.0000 0.0000 63.3142 31.7191 176.4446 81 F 4.1126 8.7425 119.0368 58.4340 39.4647 175.1481 82 T 4.1587 7.2844 113.7247 62.1742 69.5972 170.4732 83 E 4.7497 8.4654 120.6279 55.8308 32.3917 174.8189 84 K 4.4721 8.3546 118.9172 54.6003 33.6483 176.8560 85 L 4.1092 8.2864 124.0207 54.9728 42.7267 176.2644 86 V 4.1071 7.9394 123.1027 61.7873 33.4327 170.9662 87 R 3.9101 8.9355 135.0000 55.7298 29.6280 175.5296 88 K 4.1591 8.3982 125.0226 56.5814 32.5554 175.5282 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 19 K 8.31 4.07 0.00 1.71 1.90 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.50 7.81 20 A 7.41 4.10 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.19 4.31 0.00 1.80 1.77 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.37 7.81 22 V 7.79 4.38 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 0.79 0.00 0.00 0.96 0.00 0.00 23 K 7.86 4.40 0.00 1.87 1.84 0.00 1.90 0.00 0.00 1.84 0.00 0.00 3.15 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.46 7.81 24 A 7.85 4.51 1.28 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 0.00 0.00 0.00 25 T 7.62 4.10 4.07 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 1.09 0.00 0.00 26 L 7.41 4.97 0.00 1.28 1.28 0.11 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.35 4.07 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 0.00 0.00 0.00 28 E 8.87 4.17 0.00 2.01 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 2.33 2.33 0.00 29 F 8.21 4.96 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.78 4.17 0.00 2.60 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.79 4.64 0.00 1.70 1.72 0.85 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.34 5.38 0.00 1.85 2.42 0.00 3.31 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.46 0.00 33 D 7.93 4.38 0.00 2.64 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.09 5.01 0.00 3.09 2.93 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 35 R 7.97 4.63 0.00 1.77 1.90 0.00 3.10 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 36 N 8.11 4.72 0.00 2.98 3.06 0.00 0.00 6.26 7.68 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 37 V 7.65 3.63 2.10 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 1.00 0.00 0.00 0.97 0.00 0.00 38 E 8.10 4.06 0.00 1.92 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 2.29 2.35 0.00 39 V 7.33 3.83 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 0.95 0.00 0.00 0.93 0.00 0.00 40 L 8.47 4.47 0.00 1.79 1.90 1.06 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.52 3.90 0.00 1.74 1.90 0.00 1.68 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.49 7.81 42 R 7.18 4.24 0.00 1.49 1.33 0.00 3.00 0.00 0.00 3.05 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.37 0.00 43 F 8.17 5.12 0.00 3.30 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 44 L 8.36 5.31 0.00 1.88 1.59 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.91 3.82 0.00 4.09 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 46 E 8.55 4.70 0.00 1.97 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 2.22 2.24 0.00 47 T 7.46 5.07 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 1.25 0.00 0.00 48 G 7.91 3.99 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 0.00 0.00 0.00 49 K 8.15 4.03 0.00 1.71 1.77 0.00 1.70 0.00 0.00 1.84 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.44 7.81 50 I 8.31 4.54 1.86 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 1.31 0.69 0.88 0.00 0.00 51 L 8.34 4.18 0.00 1.71 1.71 0.95 0.86 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 52 P 0.00 4.57 0.00 2.23 2.21 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 53 R 8.31 4.60 0.00 1.91 2.04 0.00 3.41 0.00 0.00 3.30 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 54 R 8.00 3.93 0.00 1.81 2.00 0.00 3.21 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 55 R 7.97 4.18 0.00 1.87 1.99 0.00 3.29 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.57 0.00 56 T 8.78 4.00 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 57 G 7.96 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 0.00 0.00 0.00 58 L 7.53 4.85 0.00 1.73 1.70 1.11 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 59 S 9.81 4.48 0.00 3.79 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 0.00 60 A 8.44 3.96 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 61 K 7.98 3.83 0.00 1.82 1.81 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.53 7.81 62 E 8.26 3.88 0.00 2.18 1.90 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 2.38 2.36 0.00 63 Q 8.31 4.01 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 64 R 7.79 4.14 0.00 2.15 1.78 0.00 3.19 0.00 0.00 3.20 8.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 65 I 7.97 3.59 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.91 0.91 0.00 0.00 66 L 8.47 3.77 0.00 1.52 1.43 -0.06 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.84 3.67 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 68 K 8.26 3.85 0.00 1.95 1.83 0.00 1.53 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.47 7.81 69 T 8.22 3.79 4.34 0.00 0.00 0.00 0.00 0.00 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 70 I 8.12 3.55 1.95 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.65 0.83 0.00 0.00 71 K 8.29 3.88 0.00 1.96 1.84 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.66 7.81 72 R 7.62 3.72 0.00 1.71 1.64 0.00 2.82 0.00 0.00 2.54 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.69 0.00 73 A 8.14 4.20 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 74 R 7.47 4.21 0.00 1.64 0.68 0.00 2.80 0.00 0.00 2.36 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.18 0.00 75 I 8.24 4.16 2.06 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 1.67 1.30 0.95 0.00 0.00 76 L 7.86 4.67 0.00 1.83 1.75 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.75 4.03 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 0.00 0.00 0.00 78 L 7.50 4.17 0.00 1.84 1.70 1.02 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.44 4.28 0.00 1.62 1.47 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.46 0.00 2.05 2.16 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 81 F 8.74 4.11 0.00 3.02 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.28 4.16 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 83 E 8.47 4.75 0.00 2.09 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 2.22 2.20 0.00 84 K 8.35 4.47 0.00 1.77 1.77 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.36 7.81 85 L 8.29 4.11 0.00 1.59 1.57 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.94 4.11 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 0.87 0.00 0.00 0.98 0.00 0.00 87 R 8.94 3.91 0.00 1.99 2.00 0.00 3.23 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 88 K 8.40 4.16 0.00 1.69 1.59 0.00 1.88 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.34 7.81