NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4941 8.3049 118.1884 55.0710 32.7621 176.8328 2 T 3.9119 8.3357 118.6475 68.2601 68.3716 173.5039 3 I 3.8150 7.9527 121.8601 63.2924 37.0168 177.2737 4 L 4.0239 8.0582 122.4244 59.4495 40.0707 178.6668 5 F 4.2136 8.6988 122.5446 60.6879 39.4269 177.2498 6 Q 3.5100 8.0686 117.1489 58.6612 28.9703 179.8565 7 L 4.1535 7.1100 116.5661 55.9729 42.1530 177.9728 8 A 4.0495 9.8528 122.2233 54.1128 18.7184 179.0479 9 L 4.2383 7.2844 114.7085 57.0791 41.7799 178.0765 10 A 4.1299 7.5863 117.6944 52.9254 18.3671 177.7983 11 A 4.4401 8.0574 120.0524 54.1615 19.9842 178.8599 12 L 4.0639 6.8079 115.4756 55.8415 42.1606 178.6438 13 V 3.8504 7.4616 118.8446 65.2639 32.1512 178.0452 14 I 3.9083 7.5105 113.8476 61.9641 37.6087 177.6503 15 L 4.0031 7.7002 122.8816 58.4174 42.0421 178.9963 16 S 4.4135 8.0498 113.6990 61.3112 62.8762 175.8400 17 F 4.3505 8.2468 124.3030 60.7673 39.0015 177.1815 18 V 3.7737 7.5175 117.2754 65.9306 31.5478 177.8273 19 M 4.2314 8.3542 118.8397 58.4331 31.5236 178.9307 20 V 3.6211 8.1716 118.1692 65.9924 31.7554 177.8474 21 I 4.1248 7.2235 118.6457 63.8725 37.5626 177.7854 22 G 3.5623 9.5640 107.5490 45.3007 0.0000 177.5660 23 V 3.2717 6.1350 118.7233 64.7267 33.4867 174.6230 24 P 3.9247 0.0000 0.0000 65.4761 30.9553 178.2055 25 V 3.6242 8.0890 115.8100 66.6057 31.4274 178.4490 26 A 3.7330 7.7381 117.6444 54.4664 18.3087 177.9914 27 Y 4.8261 8.7441 113.0068 57.9490 39.1448 176.0125 28 A 4.8109 8.0612 121.6590 53.2483 20.3775 177.2642 29 S 4.3483 8.8642 111.9757 57.3362 63.8199 173.7865 30 P 2.9700 0.0000 0.0000 64.4056 31.4538 176.9135 31 Q 3.8736 6.6523 115.3731 57.3905 25.0770 173.8569 32 D 4.0421 7.8173 113.8553 54.8129 38.7296 174.7108 33 W 4.5012 8.5857 123.6139 58.5184 29.8114 178.4146 34 D 4.5689 8.2016 118.3894 56.3235 40.6999 178.6923 35 R 3.9914 7.8795 116.4760 59.2925 29.8531 178.7170 36 S 4.1689 7.6724 111.8285 60.8389 62.1910 175.9653 37 K 4.0740 7.8112 121.8020 59.1500 32.1460 178.2251 38 Q 4.2144 7.9380 119.9831 58.7441 29.2407 177.4090 39 L 4.1404 8.0791 120.8440 57.5052 42.1093 178.9561 40 I 3.7699 7.7079 119.8091 64.6746 36.9999 177.6819 41 F 4.3732 8.1229 118.6175 60.4330 39.3907 175.8608 42 L 4.0012 8.3760 120.2614 59.0045 41.4469 178.4835 43 G 3.7978 7.9754 106.3853 47.4120 0.0000 174.3573 44 S 4.6005 7.4111 114.0690 59.2065 63.0222 175.1315 45 G 3.6553 7.7281 109.8124 45.9516 0.0000 175.9554 46 L 4.0692 7.5814 120.6582 57.1901 41.9134 178.5204 47 W 3.8220 9.7460 128.4072 60.6457 30.5979 177.6796 48 I 3.9177 8.1473 118.5949 64.9688 36.5324 177.6849 49 A 4.1657 8.0326 120.9038 54.5016 18.6756 179.5485 50 L 3.4409 9.5338 116.7711 57.7337 41.6891 180.6130 51 V 3.4604 7.5306 118.5198 64.8150 31.6255 178.6196 52 L 3.9939 7.4079 119.2867 56.8607 41.0949 179.8477 53 V 3.5781 8.2884 119.1808 65.9543 31.8256 177.9199 54 V 4.0269 7.7103 116.5356 62.4584 31.5474 177.9693 55 G 4.6458 8.6548 102.9231 46.3122 0.0000 175.8020 56 V 3.4800 9.2646 129.9305 64.9422 31.7664 175.2846 57 L 3.8306 7.8603 119.8603 58.6299 41.8253 177.8381 58 N 4.0318 8.3996 116.3348 56.9920 38.7370 176.3542 59 F 4.1246 7.9640 117.4037 58.7765 40.2780 176.0950 60 F 5.0381 7.5658 119.9816 56.1836 37.8363 175.3126 61 V 3.3625 7.5091 116.2180 62.6450 31.4209 177.3124 62 V 3.8590 8.3197 126.9239 62.3422 31.5739 176.8316 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 1 M 8.30 4.49 0.00 2.16 2.32 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.60 0.00 2 T 8.34 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 1.31 0.00 0.00 3 I 7.95 3.82 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.45 0.94 0.00 0.00 4 L 8.06 4.02 0.00 1.95 2.01 1.06 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 5 F 8.70 4.21 0.00 3.20 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 6 Q 8.07 3.51 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 6.50 0.00 0.00 0.00 0.00 0.00 2.55 2.85 0.00 7 L 7.11 4.15 0.00 1.73 1.67 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 8 A 9.85 4.05 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 9 L 7.28 4.24 0.00 1.59 1.58 0.53 0.30 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 10 A 7.59 4.13 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 11 A 8.06 4.44 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 12 L 6.81 4.06 0.00 1.48 1.38 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.46 3.85 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 0.85 0.00 0.00 0.96 0.00 0.00 14 I 7.51 3.91 1.82 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 1.61 0.86 0.85 0.00 0.00 15 L 7.70 4.00 0.00 1.88 1.64 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.05 4.41 0.00 4.36 4.69 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 17 F 8.25 4.35 0.00 3.18 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 18 V 7.52 3.77 2.38 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 0.99 0.00 0.00 0.95 0.00 0.00 19 M 8.35 4.23 0.00 2.11 2.39 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 3.05 0.00 20 V 8.17 3.62 2.30 0.00 0.00 0.00 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 0.99 0.00 0.00 21 I 7.22 4.12 2.04 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.12 0.96 0.00 0.00 22 G 9.56 3.56 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 0.00 0.00 0.00 23 V 6.13 3.27 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 0.74 0.00 0.00 1.00 0.00 0.00 24 P 0.00 3.92 0.00 2.15 1.94 0.00 3.71 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 2.27 2.03 0.00 25 V 8.09 3.62 2.11 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 1.01 0.00 0.00 1.03 0.00 0.00 26 A 7.74 3.73 1.65 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 27 Y 8.74 4.83 0.00 2.83 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 28 A 8.06 4.81 1.36 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 0.00 0.00 29 S 8.86 4.35 0.00 3.81 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 30 P 0.00 2.97 0.00 1.80 1.86 0.00 3.52 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.12 0.00 31 Q 6.65 3.87 0.00 1.86 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 5.95 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 32 D 7.82 4.04 0.00 2.80 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.59 4.50 0.00 3.47 3.06 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 34 D 8.20 4.57 0.00 2.84 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 35 R 7.88 3.99 0.00 2.10 2.20 0.00 3.00 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 36 S 7.67 4.17 0.00 3.91 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 37 K 7.81 4.07 0.00 1.79 2.04 0.00 1.96 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.59 7.81 38 Q 7.94 4.21 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 39 L 8.08 4.14 0.00 1.85 1.71 0.96 0.90 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 40 I 7.71 3.77 2.28 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.19 1.07 0.00 0.00 41 F 8.12 4.37 0.00 3.04 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.38 4.00 0.00 1.79 1.78 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.98 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.41 4.60 0.00 3.73 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.73 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.58 4.07 0.00 1.87 1.69 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 47 W 9.75 3.82 0.00 3.62 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 48 I 8.15 3.92 1.93 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 1.65 0.78 1.00 0.00 0.00 49 A 8.03 4.17 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 50 L 9.53 3.44 0.00 1.62 1.55 0.82 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 51 V 7.53 3.46 1.66 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 1.01 0.00 0.00 0.87 0.00 0.00 52 L 7.41 3.99 0.00 2.01 1.79 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.29 3.58 2.19 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 0.80 0.00 0.00 0.92 0.00 0.00 54 V 7.71 4.03 2.21 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 1.13 0.00 0.00 0.88 0.00 0.00 55 G 8.65 4.65 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 56 V 9.26 3.48 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 0.60 0.00 0.00 0.82 0.00 0.00 57 L 7.86 3.83 0.00 2.24 1.88 1.21 1.14 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 58 N 8.40 4.03 0.00 2.81 3.05 0.00 0.00 7.31 6.59 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 59 F 7.96 4.12 0.00 2.25 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 60 F 7.57 5.04 0.00 3.05 2.84 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 0.00 0.00 0.00 0.00 61 V 7.51 3.36 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 0.61 0.00 0.00 0.90 0.00 0.00 62 V 8.32 3.86 2.07 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 0.68 0.00 0.00 0.93 0.00 0.00