NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.3083 8.2649 123.5817 51.8672 19.9512 176.1177 4 L 4.2359 8.1547 120.8775 52.8857 42.9392 175.3857 5 A 4.2025 8.4141 125.3551 51.3452 20.0921 176.9019 6 K 4.0300 8.4241 121.8727 55.7622 32.6428 175.2861 7 P 4.7112 0.0000 0.0000 61.0315 33.0295 175.4002 8 Q 4.1185 8.4162 117.6984 56.9549 28.8856 176.8318 9 M 4.7764 8.5070 118.0767 54.4628 33.0699 175.5143 10 R 4.6029 7.6824 117.9024 55.1584 33.2146 175.6753 11 G 4.0874 8.7285 107.5404 46.7434 0.0000 176.0297 12 L 3.9483 7.3558 120.5544 57.2846 41.5399 178.9512 13 L 3.9604 7.8606 119.6890 58.0694 42.1090 178.7013 14 A 4.0389 7.9186 120.3514 54.9504 18.3640 179.4618 15 R 3.8316 8.3249 117.6357 59.5688 30.2296 178.6719 16 R 3.9403 7.9128 118.3144 59.2788 30.0433 178.1090 17 L 3.9593 8.0442 120.0370 58.2175 42.2168 178.6519 18 R 3.8691 8.2674 118.7527 59.5559 30.0446 177.7415 19 F 3.9805 8.2116 120.2582 62.0847 39.2706 176.9240 20 H 4.4003 8.4220 114.6723 58.1055 28.5996 177.8625 21 I 3.7846 7.9771 122.2832 64.0950 36.8360 178.5242 22 V 3.6984 7.7389 118.9074 65.8370 31.3246 177.8648 23 G 3.6422 7.7379 105.1874 47.9925 0.0000 174.9403 24 A 3.9872 8.2567 123.9151 54.6680 18.4029 179.1315 25 F 4.1024 8.5688 119.2223 61.9664 39.3678 177.1184 26 M 3.8259 8.4385 118.2232 58.5799 31.8412 178.7835 27 V 3.5913 8.0841 118.5092 66.2639 31.4441 178.3493 28 S 4.1344 7.7555 114.2050 61.5173 62.7683 176.3797 29 L 3.9535 7.5392 121.8241 57.9545 41.4393 180.0021 30 G 3.6547 8.0819 105.3466 47.4650 0.0000 175.5035 31 F 4.2469 8.2799 122.6396 60.7492 39.4661 177.0020 32 A 3.9547 8.3830 120.9034 55.7905 17.9866 179.3499 33 T 3.8223 7.8322 113.7392 67.1811 68.6367 176.4754 34 F 4.1798 8.0428 121.5640 61.4230 39.3637 176.5523 35 Y 3.5391 8.1206 119.6953 60.2894 38.5858 177.7463 36 K 4.0272 8.4463 119.6348 58.8197 30.7585 179.2011 37 F 4.0148 7.8692 121.1313 61.0950 39.3072 177.1295 38 A 3.6445 7.7216 118.1708 53.5051 18.5929 176.9197 39 V 3.7664 7.1114 114.6894 63.7097 33.8512 177.3686 40 A 3.8912 7.3376 120.3597 55.4088 18.5003 179.3783 41 E 3.8821 8.5455 117.1246 59.1713 29.5226 179.4083 42 K 3.6852 7.2455 119.9104 59.4799 32.1445 178.8544 43 R 3.9285 7.8615 118.6967 59.4948 30.1101 178.6411 44 K 4.0602 8.0416 118.3318 59.2573 31.9573 179.2778 45 K 3.9939 8.2935 119.8302 59.0775 32.1706 178.6613 46 A 3.9480 8.0979 121.1494 55.4982 18.3058 179.3179 47 Y 3.7742 8.3296 114.8789 60.9432 37.8418 178.3712 48 A 4.1549 8.3312 121.7349 55.5333 18.3444 179.4935 49 D 4.3283 8.3788 116.3841 57.2747 40.9136 178.5356 50 F 4.0224 7.9582 120.3019 61.4313 39.8581 176.3578 51 Y 4.3526 8.1923 114.6576 58.9611 37.6889 177.4960 52 R 4.0420 7.5303 120.2417 58.9008 30.2632 177.6321 53 N 5.0318 7.7439 113.3738 52.7887 39.5853 173.9828 54 Y 3.9817 7.7492 119.1136 57.4672 39.4870 175.2365 55 D 4.5319 7.8247 125.7295 52.0934 42.9047 176.5775 56 S 3.5849 7.9579 123.6287 61.4503 62.9946 176.1597 57 M 4.1654 7.9356 121.8724 57.9682 31.8679 178.3980 58 K 3.9586 8.4957 120.0044 59.2015 32.2991 178.4757 59 D 4.2832 8.0907 118.5416 57.2998 41.2244 177.6628 60 F 4.3614 8.8809 121.5216 61.8083 39.2477 177.0136 61 E 3.6152 8.6000 118.1776 59.2820 29.1927 179.2145 62 E 3.9179 8.1565 118.6760 59.6748 29.3746 179.3900 63 M 3.9229 7.9490 118.7564 58.0984 31.9367 178.7506 64 R 3.9797 8.3093 119.1907 59.5498 30.0346 178.8570 65 K 3.9729 8.0660 116.8709 59.0649 32.0812 178.6666 66 A 4.1820 7.6709 119.5872 52.4769 18.3985 177.8047 67 G 3.7862 8.0908 105.8348 46.3033 0.0000 175.0362 68 I 3.8262 7.1026 114.7692 61.7853 38.1938 175.9912 69 F 5.0206 7.5619 119.4322 56.4951 40.1148 175.8803 70 Q 4.2473 8.9396 123.3602 58.2125 28.9004 177.1912 71 S 4.4679 8.1831 109.6483 58.2845 63.9193 173.7786 72 A 4.5503 7.8104 123.4909 50.7930 20.8277 175.9369 73 K 4.2512 8.7713 120.9550 57.1702 32.3455 176.9752 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 3 A 8.26 4.31 1.26 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 0.00 0.00 0.00 0.00 0.00 4 L 8.15 4.24 0.00 1.72 1.59 0.92 0.50 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 5 A 8.41 4.20 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 8.42 4.03 0.00 1.72 1.73 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.42 7.81 7 P 0.00 4.71 0.00 2.20 2.02 0.00 3.83 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 1.93 1.96 0.00 8 Q 8.42 4.12 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 9 M 8.51 4.78 0.00 1.94 2.03 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 2.69 2.51 0.00 10 R 7.68 4.60 0.00 1.83 1.78 0.00 3.27 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 11 G 8.73 4.09 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 0.00 0.00 0.00 12 L 7.36 3.95 0.00 1.67 1.72 0.91 0.46 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 13 L 7.86 3.96 0.00 1.76 1.66 0.93 1.02 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 7.92 4.04 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.32 3.83 0.00 2.07 1.94 0.00 3.24 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 16 R 7.91 3.94 0.00 1.98 2.10 0.00 3.16 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 1.72 1.74 0.00 17 L 8.04 3.96 0.00 1.84 1.88 0.95 0.65 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 18 R 8.27 3.87 0.00 2.05 2.14 0.00 3.20 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 19 F 8.21 3.98 0.00 3.20 3.25 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 20 H 8.42 4.40 0.00 3.39 3.39 0.00 5.86 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 7.98 3.78 1.88 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 1.58 0.90 0.92 0.00 0.00 22 V 7.74 3.70 1.95 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 1.07 0.00 0.00 0.90 0.00 0.00 23 G 7.74 3.64 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 0.00 24 A 8.26 3.99 1.42 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 0.00 0.00 0.00 25 F 8.57 4.10 0.00 3.07 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 26 M 8.44 3.83 0.00 2.01 2.20 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.93 0.00 27 V 8.08 3.59 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 1.01 0.00 0.00 0.95 0.00 0.00 28 S 7.76 4.13 0.00 4.10 3.83 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 29 L 7.54 3.95 0.00 1.61 1.57 0.27 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.08 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 31 F 8.28 4.25 0.00 3.18 3.26 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 0.00 0.00 0.00 32 A 8.38 3.95 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 33 T 7.83 3.82 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 34 F 8.04 4.18 0.00 3.09 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 3.54 0.00 2.36 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 4.03 0.00 1.85 1.86 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.57 7.81 37 F 7.87 4.01 0.00 2.90 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 38 A 7.72 3.64 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.11 3.77 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 0.00 0.00 0.61 0.00 0.00 0.37 0.00 0.00 40 A 7.34 3.89 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 41 E 8.55 3.88 0.00 1.93 1.91 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 2.44 2.45 0.00 42 K 7.25 3.69 0.00 1.65 1.80 0.00 1.49 0.00 0.00 1.41 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.27 7.81 43 R 7.86 3.93 0.00 1.99 2.03 0.00 3.12 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.86 0.00 44 K 8.04 4.06 0.00 1.86 1.86 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.67 7.81 45 K 8.29 3.99 0.00 1.87 1.79 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.45 7.81 46 A 8.10 3.95 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 47 Y 8.33 3.77 0.00 3.18 3.24 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 48 A 8.33 4.15 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.38 4.33 0.00 2.71 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 50 F 7.96 4.02 0.00 2.84 2.87 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 0.00 0.00 0.00 0.00 51 Y 8.19 4.35 0.00 3.39 3.05 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 0.00 0.00 0.00 52 R 7.53 4.04 0.00 1.94 1.99 0.00 3.21 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 53 N 7.74 5.03 0.00 2.68 2.74 0.00 0.00 6.84 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 7.75 3.98 0.00 2.69 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 4.53 0.00 2.58 2.34 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 56 S 7.96 3.58 0.00 4.15 4.17 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 0.00 0.00 0.00 57 M 7.94 4.17 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.51 0.00 58 K 8.50 3.96 0.00 1.89 1.87 0.00 1.59 0.00 0.00 1.51 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.42 7.81 59 D 8.09 4.28 0.00 2.88 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 60 F 8.88 4.36 0.00 3.16 3.32 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 61 E 8.60 3.62 0.00 2.22 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 2.38 2.51 0.00 62 E 8.16 3.92 0.00 2.20 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 2.30 2.41 0.00 63 M 7.95 3.92 0.00 1.72 2.34 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 2.64 2.44 0.00 64 R 8.31 3.98 0.00 1.10 1.66 0.00 3.35 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.88 0.00 65 K 8.07 3.97 0.00 1.75 1.82 0.00 1.82 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.40 7.81 66 A 7.67 4.18 1.29 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 0.00 0.00 0.00 67 G 8.09 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.10 3.83 1.59 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 -0.36 0.71 0.00 0.00 69 F 7.56 5.02 0.00 3.40 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 70 Q 8.94 4.25 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.88 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 71 S 8.18 4.47 0.00 3.96 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 72 A 7.81 4.55 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.77 4.25 0.00 1.79 1.75 0.00 1.86 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.39 7.81