NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8492 8.3544 109.7365 46.8871 0.0000 171.3578 2 S 4.2573 7.9955 115.2395 56.9037 64.9702 173.5565 3 S 4.5881 8.3677 115.4864 58.2724 65.8158 173.8873 4 G 4.0325 8.1731 107.3216 45.3002 0.0000 171.8352 5 S 4.7016 8.2849 113.8180 57.6921 66.9112 173.3673 6 S 4.8260 8.2619 117.4446 57.4857 67.5996 174.2280 7 G 3.8817 8.7342 113.2791 44.9636 0.0000 170.0432 8 G 3.9724 8.8973 116.5284 45.1656 0.0000 173.5151 9 I 3.8650 8.0597 119.5448 60.8355 38.4918 175.6115 10 K 4.6930 8.1712 123.0268 54.1884 35.9872 175.3387 11 D 4.6887 8.3526 119.8560 54.5033 41.4476 176.1527 12 S 4.6838 8.0166 115.3901 55.8666 66.7700 172.4932 13 P 4.2931 0.0000 0.0000 62.9544 31.3331 176.1306 14 V 3.8163 8.1979 124.2970 65.0160 32.1245 175.6443 15 N 4.5148 7.7873 117.4166 52.5348 37.9988 174.3958 16 K 4.3863 8.3187 120.5515 55.2779 33.5627 176.9930 17 V 3.7447 8.4426 117.5892 64.1098 31.6519 176.0837 18 E 4.8830 7.7811 116.0742 54.9147 33.2080 174.2117 19 P 4.5326 0.0000 0.0000 64.2350 31.5407 176.6546 20 N 4.2582 7.6029 117.1354 53.5360 38.3241 176.4149 21 D 4.4490 7.6644 121.1898 58.2648 40.5403 178.6302 22 T 3.6563 7.6279 115.3459 66.5187 68.2640 176.0215 23 L 3.5455 7.5416 121.2109 57.8421 41.3151 178.9008 24 E 4.1773 7.7258 118.0287 60.0436 29.7247 178.7314 25 K 4.2198 8.1491 118.6981 58.4692 32.2817 179.0364 26 V 3.6368 7.7193 118.9644 65.3466 31.3014 178.0268 27 F 5.0883 9.2221 122.9591 59.9573 39.0191 176.6892 28 V 4.3333 8.1388 114.1110 61.5149 31.9245 175.8441 29 S 4.5535 8.1035 114.8351 60.0700 63.4351 174.7027 30 V 4.1857 7.8542 111.0779 62.3346 33.1521 176.2913 31 T 4.1016 7.0608 109.9440 61.1037 69.6236 173.7430 32 K 3.3209 8.4758 126.3548 58.2963 32.9683 176.7195 33 Y 4.3664 7.4429 116.5348 54.8506 38.1083 172.8161 34 P 4.4594 0.0000 0.0000 62.1801 32.9498 175.5735 35 D 4.9497 7.8263 116.5952 51.7979 44.6254 177.0013 36 E 3.8243 8.8975 120.9680 59.8488 29.3775 179.4115 37 K 4.0556 7.8631 116.9419 60.1294 32.9249 177.9643 38 R 4.0108 8.5139 120.4139 59.0106 30.0559 178.1505 39 L 4.0480 7.9572 118.2512 57.8377 41.2663 179.3240 40 K 3.9764 8.3124 118.2961 60.0617 32.3189 178.9241 41 G 3.6668 8.2731 105.8206 47.1084 0.0000 175.3770 42 L 3.8862 7.9432 120.9421 57.3832 41.8277 179.5573 43 S 4.5638 8.3021 114.4937 60.8940 62.1846 176.2510 44 K 4.0118 8.4226 121.9792 58.9678 32.0412 177.9270 45 Q 3.9458 7.9864 118.0540 58.9946 28.8018 177.9060 46 L 4.3472 7.9323 116.7566 53.9041 41.7813 176.2279 47 D 4.4928 7.8457 116.8727 55.3547 39.2125 173.4621 48 W 4.9618 8.1239 118.5319 55.3952 32.1256 174.9906 49 S 5.0538 8.1915 114.3730 56.6365 65.8293 175.5308 50 V 3.6618 8.4567 126.1563 65.3607 30.7663 178.7185 51 R 3.8524 7.9549 118.6338 58.8707 29.9528 177.7436 52 K 3.7033 8.0662 117.7771 59.8434 32.2536 177.9998 53 I 4.4399 8.6437 119.8946 65.0686 37.1487 178.3610 54 Q 4.0892 8.0989 118.3511 59.3687 28.5919 179.2595 55 C 3.9655 8.0303 119.5214 62.5678 31.4018 175.4365 56 W 4.1717 8.8756 129.9378 60.6429 30.1799 177.7051 57 F 4.3372 8.8137 117.0292 60.8769 38.0860 177.2402 58 R 4.0053 8.1860 118.1307 60.0042 29.7833 177.9819 59 H 4.0084 8.4155 117.8419 59.0714 29.7307 176.6408 60 R 3.1177 7.5599 120.5747 59.5854 29.6592 178.0117 61 R 3.8397 7.5237 115.7161 59.6318 30.0486 178.3176 62 N 4.2147 7.2993 114.0340 56.7903 38.7034 176.9897 63 Q 4.0558 7.6426 117.3484 58.9931 28.8641 178.1244 64 D 4.3648 7.8403 117.6524 56.4857 41.7017 176.8113 65 K 3.9880 7.9145 119.3028 55.9030 32.7388 176.0939 66 P 4.2959 0.0000 0.0000 64.2460 31.5672 176.2920 67 S 4.6072 7.6722 114.8908 56.0114 64.1922 175.0090 68 G 5.1497 7.9949 127.0700 45.6476 0.0000 170.8605 69 P 4.1728 0.0000 0.0000 64.8645 32.1888 176.8558 70 S 4.0063 7.1014 115.8075 59.3734 62.4835 174.2923 71 S 4.4086 8.3505 121.3274 57.2082 61.5240 174.1079 72 G 4.3463 8.2880 112.8593 45.4591 0.0000 170.8391 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 G 8.35 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.00 4.26 0.00 3.86 3.72 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 3 S 8.37 4.59 0.00 3.95 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 4 G 8.17 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 5 S 8.28 4.70 0.00 3.82 3.72 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 6 S 8.26 4.83 0.00 3.79 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 8.73 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 0.00 0.00 0.00 8 G 8.90 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.06 3.87 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.45 0.91 0.00 0.00 10 K 8.17 4.69 0.00 1.68 1.67 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.36 7.81 11 D 8.35 4.69 0.00 2.64 2.60 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 12 S 8.02 4.68 0.00 3.78 3.68 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 0.00 0.00 0.00 0.00 13 P 0.00 4.29 0.00 2.13 2.02 0.00 3.73 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.90 0.00 14 V 8.20 3.82 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 0.79 0.00 0.00 0.97 0.00 0.00 15 N 7.79 4.51 0.00 2.87 2.80 0.00 0.00 5.99 7.12 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 16 K 8.32 4.39 0.00 1.78 1.81 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.40 7.81 17 V 8.44 3.74 1.86 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 0.40 0.00 0.00 0.79 0.00 0.00 18 E 7.78 4.88 0.00 2.53 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 0.00 2.59 2.83 0.00 19 P 0.00 4.53 0.00 2.12 2.27 0.00 3.87 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 20 N 7.60 4.26 0.00 1.63 1.43 0.00 0.00 5.60 5.84 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 21 D 7.66 4.45 0.00 2.74 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 22 T 7.63 3.66 3.92 0.00 0.00 0.00 0.00 0.00 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 23 L 7.54 3.55 0.00 0.27 0.28 0.45 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 24 E 7.73 4.18 0.00 2.26 2.36 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 2.38 2.51 0.00 25 K 8.15 4.22 0.00 2.03 1.79 0.00 1.73 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.51 7.81 26 V 7.72 3.64 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 1.34 0.00 0.00 1.00 0.00 0.00 27 F 9.22 5.09 0.00 3.46 3.48 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 0.00 28 V 8.14 4.33 2.48 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 1.13 0.00 0.00 1.04 0.00 0.00 29 S 8.10 4.55 0.00 4.01 3.95 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 0.00 0.00 0.00 0.00 30 V 7.85 4.19 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 0.70 0.00 0.00 1.01 0.00 0.00 31 T 7.06 4.10 4.21 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 1.21 0.00 0.00 32 K 8.48 3.32 0.00 1.23 0.90 0.00 1.02 0.00 0.00 2.45 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.24 1.42 7.81 33 Y 7.44 4.37 0.00 2.78 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.46 0.00 1.91 1.89 0.00 3.09 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.81 0.00 35 D 7.83 4.95 0.00 2.65 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.90 3.82 0.00 2.03 1.96 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 2.39 2.43 0.00 37 K 7.86 4.06 0.00 1.94 1.94 0.00 1.62 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.53 7.81 38 R 8.51 4.01 0.00 1.81 1.95 0.00 3.08 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 39 L 7.96 4.05 0.00 1.88 1.77 1.07 0.91 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 40 K 8.31 3.98 0.00 1.93 1.91 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.63 7.81 41 G 8.27 3.67 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 0.00 0.00 0.00 42 L 7.94 3.89 0.00 1.74 1.74 1.05 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.30 4.56 0.00 4.05 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 44 K 8.42 4.01 0.00 1.83 1.85 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.44 7.81 45 Q 7.99 3.95 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.17 0.00 0.00 0.00 0.00 0.00 2.25 2.42 0.00 46 L 7.93 4.35 0.00 1.19 0.91 0.37 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 47 D 7.85 4.49 0.00 2.79 2.79 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 48 W 8.12 4.96 0.00 3.33 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.19 5.05 0.00 3.80 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 50 V 8.46 3.66 2.12 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 0.89 0.00 0.00 0.96 0.00 0.00 51 R 7.95 3.85 0.00 1.91 1.95 0.00 3.21 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 52 K 8.07 3.70 0.00 1.59 1.77 0.00 1.29 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.50 1.12 7.81 53 I 8.64 4.44 2.26 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.95 1.24 0.00 0.00 54 Q 8.10 4.09 0.00 2.46 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.70 0.00 0.00 0.00 0.00 0.00 2.42 2.70 0.00 55 C 8.03 3.97 0.00 2.99 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 56 W 8.88 4.17 0.00 3.78 3.45 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 0.00 0.00 0.00 0.00 57 F 8.81 4.34 0.00 3.44 3.11 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 0.00 0.00 0.00 0.00 58 R 8.19 4.01 0.00 1.92 2.15 0.00 3.16 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 59 H 8.42 4.01 0.00 3.29 3.00 0.00 5.70 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 R 7.56 3.12 0.00 1.03 1.74 0.00 2.28 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.96 0.00 61 R 7.52 3.84 0.00 2.20 2.12 0.00 3.49 0.00 0.00 3.69 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 62 N 7.30 4.21 0.00 2.70 2.91 0.00 0.00 7.06 7.53 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 63 Q 7.64 4.06 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.11 0.00 64 D 7.84 4.36 0.00 2.48 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 65 K 7.91 3.99 0.00 2.00 1.75 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.59 7.81 66 P 0.00 4.30 0.00 2.17 2.17 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 67 S 7.67 4.61 0.00 4.12 3.91 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 0.00 0.00 0.00 68 G 7.99 5.15 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 0.00 0.00 0.00 69 P 0.00 4.17 0.00 2.18 2.19 0.00 3.80 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 1.98 0.00 70 S 7.10 4.01 0.00 3.97 3.93 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 71 S 8.35 4.41 0.00 3.79 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 72 G 8.29 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00