NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6629 8.3044 120.6101 55.5050 33.7234 173.9343 2 V 4.2064 8.9487 125.7774 61.0506 33.8483 172.8458 3 T 5.0697 8.7967 125.6631 61.8154 72.1488 172.4321 4 A 5.0497 8.8193 126.2049 50.5984 23.4511 174.6575 5 F 5.0023 9.2942 119.2775 55.7602 41.6945 174.8622 6 I 4.8690 9.1610 124.6986 59.5479 39.7846 174.4529 7 L 4.8448 8.7083 127.8730 53.6213 43.4281 175.7624 8 M 5.4234 9.1060 122.2051 53.6867 36.9365 174.1054 9 V 4.9226 9.0604 122.1509 61.4982 33.9260 174.8225 10 T 5.2257 8.8911 117.2105 59.1778 72.0649 173.5476 11 A 4.2077 8.7017 123.6382 51.5526 19.6060 177.2967 12 A 4.0881 8.5449 124.4406 54.0436 18.7002 178.2607 13 G 3.9738 8.9020 112.0117 45.5434 0.0000 174.4993 14 K 4.4716 7.9190 118.2821 55.8783 32.7266 177.5480 15 E 3.9692 8.0942 119.3956 59.6783 29.2808 179.3323 16 R 3.8923 7.9033 118.6829 58.8654 30.2548 178.6596 17 E 3.9460 8.1389 116.9835 59.3148 29.3972 179.3179 18 V 3.5176 7.8100 119.1628 66.0039 31.7003 177.4539 19 M 3.9746 8.2002 118.1638 58.9305 31.7576 177.9832 20 E 3.9751 8.1301 117.3877 59.2804 29.9141 179.2015 21 K 4.1121 7.8614 118.0052 59.5024 32.0981 179.2995 22 L 4.0499 8.1490 119.3429 57.9503 41.4038 179.6315 23 L 4.0124 8.3200 117.2849 57.0905 41.5859 178.5691 24 A 4.2566 7.6910 118.9668 52.2628 19.3718 177.0546 25 M 4.4399 7.8551 119.1367 53.2852 33.2396 175.8156 26 P 4.2698 0.0000 0.0000 65.9614 31.8551 177.5656 27 E 3.8767 8.0075 117.8253 58.3404 30.5429 176.9814 28 V 4.1719 7.2911 119.9179 62.2751 31.2593 176.0432 29 K 4.3957 8.9302 129.0428 58.4601 33.0992 176.9722 30 E 4.8078 7.8905 115.1962 55.5155 32.8150 174.2159 31 A 5.2470 7.9158 121.1065 51.3419 22.4164 175.3131 32 Y 4.8094 9.0481 118.5883 56.2639 42.8963 174.6221 33 V 4.4444 8.5468 123.0185 62.7560 32.4196 175.4451 34 V 4.6906 8.4835 120.1873 59.6672 35.5764 174.9868 35 Y 4.2143 8.6394 119.8551 58.3770 38.9066 174.5935 36 G 3.8278 8.8704 107.4868 44.1642 0.0000 172.7426 37 E 3.8772 8.8479 119.1706 58.8816 29.7211 177.7166 38 Y 4.6972 7.5513 114.2349 57.1166 39.6398 174.5699 39 D 5.0969 9.2123 121.0056 54.8843 43.5943 176.3911 40 L 5.3385 7.8579 116.8791 52.9967 46.7258 175.0011 41 I 5.0010 8.8631 121.8460 59.2831 41.4013 174.2354 42 V 4.9983 8.9710 128.3187 61.0078 35.1778 173.6879 43 K 4.4312 8.8347 128.6975 54.7524 33.8818 175.3287 44 V 4.8252 8.7237 120.3835 59.5900 35.6129 174.5992 45 E 5.1027 8.6216 121.8644 55.0916 33.0394 175.0635 46 T 4.7058 8.8906 114.3279 59.5755 72.3224 174.9355 47 D 4.2854 8.8461 122.1270 55.8685 40.0192 176.6885 48 T 4.7301 7.3702 108.3521 58.6228 73.4569 174.3328 49 L 3.9799 8.3090 121.9639 57.8542 42.0830 178.5514 50 K 3.9001 8.0298 119.2995 59.8454 32.1372 178.3985 51 D 4.4213 8.2146 118.8849 56.9362 40.6391 178.6492 52 L 3.9666 7.7072 120.6850 58.2043 42.1600 178.4375 53 D 4.3741 8.2100 117.9790 57.5731 41.0720 178.2175 54 Q 4.0160 8.2972 118.5415 58.7449 28.5752 178.4969 55 F 4.3551 8.4050 122.0283 61.4554 39.2979 177.3654 56 I 3.4575 7.9615 112.5757 63.9251 37.0743 178.4126 57 T 3.8674 7.7547 116.8876 66.7094 68.5334 176.5192 58 E 4.1009 8.7797 120.0221 58.6214 29.6464 177.7851 59 K 4.2183 7.9773 116.7133 58.2358 33.5953 178.1916 60 I 3.5317 6.9577 118.8374 64.9768 36.9605 178.4662 61 R 3.9924 9.4889 119.8126 58.6052 30.2201 177.8418 62 K 4.3171 7.5299 116.6854 56.0797 32.3621 175.6926 63 M 4.4725 7.7626 120.8764 52.8378 32.7766 174.7517 64 P 4.3079 0.0000 0.0000 65.9725 31.7202 177.5793 65 E 4.1252 8.1356 117.9041 58.7176 30.6577 177.0173 66 I 4.2504 7.5462 120.7484 61.0882 37.0569 175.9000 67 Q 4.4679 9.0375 126.7798 57.4056 30.4024 175.9986 68 M 5.0415 7.7718 116.9008 54.4218 35.8885 173.7963 69 T 5.3109 8.4109 113.3366 60.3442 72.6446 172.8380 70 S 4.6539 9.1041 117.1947 57.0639 65.7103 172.5347 71 T 5.0254 8.6732 123.4175 62.1630 70.7004 173.9536 72 M 4.7024 9.0512 125.3466 53.4380 34.9766 174.9411 73 I 4.3096 8.4486 125.0311 60.9853 38.1326 175.8491 74 A 4.4939 8.9896 129.1914 51.2609 19.8573 177.6084 75 I 3.9885 8.2516 120.7927 61.4888 37.4558 175.8752 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 4.66 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.50 0.00 2 V 8.95 4.21 2.04 0.00 0.00 0.00 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 0.92 0.00 0.00 3 T 8.80 5.07 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 4 A 8.82 5.05 1.16 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 0.00 0.00 5 F 9.29 5.00 0.00 3.02 2.96 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 6 I 9.16 4.87 1.93 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.78 0.94 0.00 0.00 7 L 8.71 4.84 0.00 0.74 0.13 0.51 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 8 M 9.11 5.42 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 9 V 9.06 4.92 2.14 0.00 0.00 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 1.00 0.00 0.00 10 T 8.89 5.23 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 1.23 0.00 0.00 11 A 8.70 4.21 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 12 A 8.54 4.09 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 13 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 14 K 7.92 4.47 0.00 1.86 1.81 0.00 1.85 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.55 7.81 15 E 8.09 3.97 0.00 2.16 2.22 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 2.35 2.33 0.00 16 R 7.90 3.89 0.00 1.87 2.01 0.00 3.12 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 17 E 8.14 3.95 0.00 2.23 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 0.00 2.36 2.70 0.00 18 V 7.81 3.52 2.24 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 1.08 0.00 0.00 0.99 0.00 0.00 19 M 8.20 3.97 0.00 2.24 2.06 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 20 E 8.13 3.98 0.00 2.12 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 2.55 2.49 0.00 21 K 7.86 4.11 0.00 1.97 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.46 1.68 7.81 22 L 8.15 4.05 0.00 1.87 1.79 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.32 4.01 0.00 1.75 1.71 0.85 0.76 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 24 A 7.69 4.26 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 25 M 7.86 4.44 0.00 2.41 2.25 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.57 0.00 26 P 0.00 4.27 0.00 2.14 2.17 0.00 3.81 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 27 E 8.01 3.88 0.00 1.16 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 2.08 2.19 0.00 28 V 7.29 4.17 2.31 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 0.72 0.00 0.00 1.01 0.00 0.00 29 K 8.93 4.40 0.00 1.56 1.79 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.43 7.81 30 E 7.89 4.81 0.00 2.07 2.03 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 2.30 2.48 0.00 31 A 7.92 5.25 1.17 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 0.00 0.00 32 Y 9.05 4.81 0.00 2.86 2.81 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 33 V 8.55 4.44 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 0.76 0.00 0.00 0.93 0.00 0.00 34 V 8.48 4.69 2.16 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 0.81 0.00 0.00 1.07 0.00 0.00 35 Y 8.64 4.21 0.00 2.99 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 36 G 8.87 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 0.00 0.00 0.00 37 E 8.85 3.88 0.00 1.77 1.63 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 1.77 2.11 0.00 38 Y 7.55 4.70 0.00 3.08 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 39 D 9.21 5.10 0.00 2.58 2.69 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 40 L 7.86 5.34 0.00 1.59 1.54 0.99 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.86 5.00 1.93 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 1.36 1.62 1.11 0.00 0.00 42 V 8.97 5.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.99 0.00 0.00 43 K 8.83 4.43 0.00 1.62 1.49 0.00 1.80 0.00 0.00 1.53 0.00 0.00 2.90 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.94 0.25 7.81 44 V 8.72 4.83 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 0.54 0.00 0.00 0.82 0.00 0.00 45 E 8.62 5.10 0.00 1.67 1.70 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 2.11 2.08 0.00 46 T 8.89 4.71 4.18 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 1.04 0.00 0.00 47 D 8.85 4.29 0.00 2.79 2.82 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 48 T 7.37 4.73 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 1.20 0.00 0.00 49 L 8.31 3.98 0.00 1.78 1.70 0.93 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.03 3.90 0.00 1.86 1.80 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.55 7.81 51 D 8.21 4.42 0.00 2.89 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.71 3.97 0.00 1.77 1.88 0.95 1.12 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 53 D 8.21 4.37 0.00 2.78 2.81 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 54 Q 8.30 4.02 0.00 2.35 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 55 F 8.41 4.36 0.00 3.20 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 56 I 7.96 3.46 1.85 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 1.70 0.64 1.07 0.00 0.00 57 T 7.75 3.87 4.36 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 1.19 0.00 0.00 58 E 8.78 4.10 0.00 1.93 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 2.45 2.49 0.00 59 K 7.98 4.22 0.00 1.11 1.43 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.27 1.30 7.81 60 I 6.96 3.53 1.79 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.72 0.86 0.00 0.00 61 R 9.49 3.99 0.00 1.86 1.97 0.00 3.13 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 62 K 7.53 4.32 0.00 1.76 1.77 0.00 1.85 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.52 7.81 63 M 7.76 4.47 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.66 0.00 64 P 0.00 4.31 0.00 2.21 2.16 0.00 3.80 0.00 0.00 3.64 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 65 E 8.14 4.13 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.40 0.00 66 I 7.55 4.25 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.47 0.92 0.00 0.00 67 Q 9.04 4.47 0.00 1.93 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.60 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 68 M 7.77 5.04 0.00 2.07 1.87 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 69 T 8.41 5.31 4.26 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 1.23 0.00 0.00 70 S 9.10 4.65 0.00 3.95 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.67 5.03 4.26 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 1.24 0.00 0.00 72 M 9.05 4.70 0.00 1.95 2.04 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 2.50 2.49 0.00 73 I 8.45 4.31 1.89 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 1.29 0.49 0.92 0.00 0.00 74 A 8.99 4.49 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 75 I 8.25 3.99 1.89 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 1.29 0.66 0.92 0.00 0.00