NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2578 8.1701 110.9387 61.0389 70.1195 173.4249 3 A 3.9354 8.3619 126.2377 51.7698 19.0206 175.5802 4 L 4.4249 8.6010 123.3698 53.1799 43.8537 175.3297 5 A 4.1697 8.3301 126.5450 51.2968 19.1499 176.8674 6 K 4.0101 8.4932 122.6122 55.8682 32.6598 175.0673 7 P 4.7212 0.0000 0.0000 60.9373 33.0696 175.4190 8 Q 4.0015 8.5342 118.0537 57.2102 28.7503 176.8525 9 M 4.7151 8.6567 119.9768 54.7123 33.9315 175.5327 10 R 4.5955 7.5607 117.0583 55.2000 33.0982 175.5549 11 G 3.9920 8.6754 108.2762 46.8590 0.0000 176.0782 12 L 4.0087 7.9421 121.6118 57.2234 41.6314 178.5820 13 L 3.9773 7.8713 119.8563 57.9980 42.0706 178.6803 14 A 3.9973 7.9337 120.3983 54.9152 18.4617 179.4650 15 R 3.8272 8.1455 117.3631 59.5421 30.1406 178.5699 16 R 3.9734 8.1108 118.5660 59.4706 30.0670 178.1788 17 L 4.0012 8.2034 120.0533 58.3040 42.1568 179.0770 18 R 3.9600 8.3546 118.3540 59.1553 30.0161 178.8319 19 F 4.0419 8.1965 120.0810 61.8258 39.5049 176.9494 20 H 4.2818 8.6398 115.6398 58.2798 28.5252 177.9451 21 I 3.7273 8.3165 122.5035 64.1936 36.8662 178.4137 22 V 3.6361 7.8366 119.1707 66.0964 31.3140 178.2061 23 G 3.4917 7.8503 105.0836 47.7314 0.0000 175.4861 24 A 3.9757 8.0781 122.9403 54.8470 18.4872 179.3416 25 F 4.0403 8.3823 119.2482 61.7531 39.4153 176.8589 26 M 3.9141 8.3627 118.3239 58.8568 31.8835 179.0107 27 V 3.6352 8.0004 117.9084 66.1469 31.5736 178.2987 28 S 4.2535 7.8072 114.9290 61.2258 62.6126 176.3419 29 L 3.9088 7.6592 123.2104 57.8401 41.8237 179.1944 30 G 3.5988 7.9856 105.7440 47.7081 0.0000 175.2050 31 F 4.2765 8.7424 123.7114 60.9953 39.4605 176.6875 32 A 3.8205 8.4613 120.5935 55.6781 17.9033 179.5988 33 T 3.7842 7.7457 112.4255 66.7510 68.7688 176.2458 34 F 4.4275 8.2907 122.2790 61.5781 39.4003 176.4067 35 Y 3.3375 8.0255 119.3836 60.3427 38.2190 178.3309 36 K 4.5127 8.2086 115.5509 56.4955 32.2902 176.9208 37 F 4.7351 8.2122 121.4026 59.7923 44.4009 176.4551 38 A 3.6454 8.3278 122.0326 53.6318 18.5071 177.1660 39 V 3.7884 6.8599 112.2916 64.0993 33.7858 177.4317 40 A 3.8506 7.5361 120.5037 55.1928 18.3717 179.2891 41 E 3.8210 7.9160 116.5719 59.2757 29.6375 178.9632 42 K 3.5986 7.2136 118.3573 59.6469 32.2333 178.3957 43 R 3.8700 7.7909 118.3439 59.4505 30.0670 178.1429 44 K 3.8595 8.0888 118.2803 59.5953 32.1483 178.8850 45 K 3.8695 8.3782 119.3762 59.6581 32.1567 178.2175 46 A 3.9603 8.4471 121.2483 55.8292 18.1867 179.3043 47 Y 3.7729 8.1909 114.1204 60.8400 37.8380 178.1174 48 A 4.1439 8.0848 120.6745 55.3673 18.7120 178.9068 49 D 4.4942 8.6929 117.7387 57.6535 40.7038 178.9932 50 F 3.8183 7.9868 119.6245 61.1540 39.2549 176.0285 51 Y 4.4694 8.0981 114.1995 58.3334 37.8125 177.7025 52 R 3.9788 7.5616 120.8583 59.2570 30.2805 177.7442 53 N 4.9619 7.7726 112.3246 52.8013 39.1605 174.1507 54 Y 3.9197 7.4747 119.5598 57.6572 39.2818 175.4086 55 D 4.5395 7.8647 126.0876 52.2854 42.9454 176.5084 56 S 3.7318 7.9886 123.7113 61.4142 63.2754 176.0664 57 M 4.1391 7.8736 121.8593 58.1090 31.7751 178.4541 58 K 3.9494 8.2332 119.8050 59.3444 32.4712 178.3697 59 D 4.3540 8.2552 118.6163 57.2915 41.1308 177.9807 60 F 4.3385 8.6715 121.5386 61.4300 39.3637 176.6015 61 E 3.5817 8.6232 119.2559 59.1893 29.4108 178.5057 62 E 3.8913 8.2349 118.5589 59.8613 29.5740 179.3969 63 M 3.9449 7.7918 118.1832 57.9696 31.9992 178.6706 64 R 3.9117 7.8161 119.0447 59.5424 30.0145 178.5019 65 K 3.8627 7.8450 116.6065 59.5648 32.1977 178.5977 66 A 4.1890 7.4643 117.8600 52.6439 18.3246 178.0945 67 G 3.8101 8.1530 105.9698 45.7730 0.0000 175.1441 68 I 3.7015 7.3369 115.1503 62.3751 37.9321 176.2818 69 F 4.9382 7.3842 119.0136 56.2577 40.2041 175.5835 70 Q 4.1936 8.9820 125.4368 58.3743 29.1608 176.7434 71 S 4.6320 8.1724 109.2903 58.3572 64.0125 174.3989 72 A 4.6843 7.6220 123.1394 50.5134 19.0316 175.9723 73 K 4.2500 8.2916 119.9712 56.3732 32.1844 177.3686 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 2 T 8.17 4.26 4.24 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 0.00 0.00 1.21 0.00 0.00 3 A 8.36 3.94 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 4 L 8.60 4.42 0.00 1.64 1.61 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.33 4.17 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 6 K 8.49 4.01 0.00 1.72 1.74 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.42 7.81 7 P 0.00 4.72 0.00 2.20 2.01 0.00 3.83 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 1.93 1.96 0.00 8 Q 8.53 4.00 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 9 M 8.66 4.72 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.50 0.00 10 R 7.56 4.60 0.00 1.86 1.80 0.00 3.31 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 11 G 8.68 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 12 L 7.94 4.01 0.00 1.70 1.72 0.91 0.52 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 13 L 7.87 3.98 0.00 1.76 1.66 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.93 4.00 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 15 R 8.15 3.83 0.00 2.08 2.11 0.00 3.10 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 16 R 8.11 3.97 0.00 2.08 2.12 0.00 3.18 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.75 0.00 17 L 8.20 4.00 0.00 1.88 1.86 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.35 3.96 0.00 2.08 2.01 0.00 3.19 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 19 F 8.20 4.04 0.00 3.17 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 20 H 8.64 4.28 0.00 3.34 3.37 0.00 5.87 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 21 I 8.32 3.73 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.96 0.91 0.00 0.00 22 V 7.84 3.64 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 0.99 0.00 0.00 0.88 0.00 0.00 23 G 7.85 3.49 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 0.00 0.00 0.00 24 A 8.08 3.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.38 4.04 0.00 3.17 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 26 M 8.36 3.91 0.00 2.05 2.25 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.73 0.00 27 V 8.00 3.64 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 0.95 0.00 0.00 0.97 0.00 0.00 28 S 7.81 4.25 0.00 3.93 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.66 3.91 0.00 1.60 1.49 0.51 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.99 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.74 4.28 0.00 3.15 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 32 A 8.46 3.82 1.34 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 0.00 0.00 0.00 33 T 7.75 3.78 4.48 0.00 0.00 0.00 0.00 0.00 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 34 F 8.29 4.43 0.00 3.12 3.30 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 0.00 0.00 0.00 0.00 35 Y 8.03 3.34 0.00 2.23 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.21 4.51 0.00 1.88 1.84 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.50 7.81 37 F 8.21 4.74 0.00 2.91 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 38 A 8.33 3.65 0.64 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 0.00 0.00 39 V 6.86 3.79 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 0.00 0.00 0.58 0.00 0.00 0.30 0.00 0.00 40 A 7.54 3.85 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.92 3.82 0.00 1.96 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 0.00 2.63 2.36 0.00 42 K 7.21 3.60 0.00 1.69 1.76 0.00 1.63 0.00 0.00 1.43 0.00 0.00 2.76 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.24 7.81 43 R 7.79 3.87 0.00 2.02 2.09 0.00 3.17 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.75 0.00 44 K 8.09 3.86 0.00 2.07 1.88 0.00 1.86 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.45 7.81 45 K 8.38 3.87 0.00 1.93 1.91 0.00 1.62 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.47 7.81 46 A 8.45 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 47 Y 8.19 3.77 0.00 3.20 3.22 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 0.00 48 A 8.08 4.14 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 49 D 8.69 4.49 0.00 2.88 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 50 F 7.99 3.82 0.00 2.86 2.83 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 0.00 0.00 0.00 51 Y 8.10 4.47 0.00 3.27 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 52 R 7.56 3.98 0.00 1.94 1.98 0.00 3.24 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 53 N 7.77 4.96 0.00 2.69 2.76 0.00 0.00 6.83 7.46 0.00 0.00 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 Y 7.47 3.92 0.00 2.82 3.08 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 0.00 0.00 0.00 0.00 55 D 7.86 4.54 0.00 2.56 2.32 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 56 S 7.99 3.73 0.00 4.18 4.12 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 57 M 7.87 4.14 0.00 2.09 2.27 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.52 0.00 58 K 8.23 3.95 0.00 1.90 1.87 0.00 1.58 0.00 0.00 1.51 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.42 7.81 59 D 8.26 4.35 0.00 2.91 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 60 F 8.67 4.34 0.00 3.17 3.37 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 61 E 8.62 3.58 0.00 2.34 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 2.33 2.38 0.00 62 E 8.23 3.89 0.00 2.25 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 2.31 2.45 0.00 63 M 7.79 3.94 0.00 1.72 2.16 0.00 0.00 0.00 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.51 0.00 64 R 7.82 3.91 0.00 1.34 1.78 0.00 3.27 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 2.03 0.00 65 K 7.84 3.86 0.00 1.93 1.82 0.00 1.84 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.42 7.81 66 A 7.46 4.19 1.24 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 0.00 0.00 0.00 0.00 0.00 67 G 8.15 3.81 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 0.00 0.00 0.00 68 I 7.34 3.70 1.56 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 -0.36 0.72 0.00 0.00 69 F 7.38 4.94 0.00 3.42 3.09 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 0.00 0.00 0.00 0.00 70 Q 8.98 4.19 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 71 S 8.17 4.63 0.00 4.02 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 72 A 7.62 4.68 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.29 4.25 0.00 1.80 1.77 0.00 2.05 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.41 7.81