NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4223 8.3349 116.7968 58.2068 63.0922 173.5538 2 R 3.9934 8.0910 125.5272 55.0874 27.9489 169.6596 3 V 4.4673 7.8594 120.2421 60.9175 35.3231 173.6404 4 C 4.3707 8.7994 128.4921 59.4919 31.1719 174.1072 5 Q 4.1517 8.5139 127.9144 58.1287 28.5273 178.2459 6 V 4.1696 7.7453 115.7358 62.0922 32.9499 176.5532 7 T 4.4518 7.5503 108.6204 60.4641 69.1382 174.8082 8 G 3.8980 8.3058 107.7751 46.3876 0.0000 174.3134 9 K 4.1490 7.7045 119.9379 56.9469 32.4703 176.7005 10 R 5.1101 8.1096 122.8307 53.4527 32.1526 173.9586 11 P 4.8383 0.0000 0.0000 62.4294 32.6515 176.0052 12 V 4.7458 9.2291 114.9786 59.8734 35.8278 174.5293 13 T 5.1842 8.1228 111.4510 60.6039 71.4791 173.4227 14 G 4.2507 8.3890 109.0399 46.5120 0.0000 171.9051 15 N 5.9186 8.7859 117.7342 51.9372 40.2284 175.0534 16 N 4.4980 8.8583 115.8000 53.5392 40.3204 174.2551 17 R 4.0489 8.4536 119.0704 55.2303 27.2861 176.1094 18 S 4.5634 7.9721 118.0625 57.6867 65.3518 174.6449 19 H 4.0977 8.9670 116.1700 59.6157 28.3738 176.8834 20 A 4.0881 7.9973 117.7480 52.7423 17.9994 176.8843 21 L 3.7391 7.7480 114.8228 55.8542 39.7459 174.3512 22 N 4.6881 8.1258 116.6700 52.6076 39.4641 175.0428 23 A 4.4952 8.6484 126.7138 52.3846 19.5215 176.7781 24 T 4.6135 8.2869 111.0714 60.0511 72.0918 173.5854 25 K 4.6918 8.7847 125.7494 56.9748 33.2175 176.1490 26 R 4.5642 8.5342 118.1559 55.9057 33.0891 173.3772 27 R 5.0993 8.2857 116.4633 54.6840 34.0034 175.0778 28 F 4.9262 9.4582 121.3606 55.8685 41.4316 174.8510 29 L 5.0635 8.2732 121.3481 53.6748 43.5137 174.0512 30 P 4.5038 0.0000 0.0000 62.4854 32.2562 177.0487 31 N 4.7124 8.4212 120.4020 53.4878 37.2381 174.0583 32 L 4.9652 7.8556 122.7605 54.3825 43.2102 175.5024 33 H 4.8755 9.1731 113.8650 54.9469 35.6990 172.9244 34 S 3.7136 8.6168 112.2870 59.0116 62.2600 170.7276 35 H 4.7037 9.0104 123.7950 54.0699 33.6585 172.3936 36 R 4.4248 7.7756 124.2249 55.0388 30.1106 175.1152 37 F 4.8849 8.9399 126.2905 56.3369 40.7790 174.9301 38 W 4.8329 9.2865 133.2567 56.7886 31.2185 175.9762 39 V 3.7476 6.6578 119.9401 61.5230 32.6818 176.5574 40 E 3.9351 6.0823 124.5133 57.0758 28.8644 175.9700 41 S 4.1473 7.8367 110.5019 60.5944 62.3116 174.1341 42 E 4.4304 7.3925 115.2721 54.7638 31.5982 175.4562 43 K 3.2862 7.1860 116.9378 55.6197 29.8410 173.0826 44 R 4.2138 5.8400 118.0090 55.9754 34.1461 173.9599 45 F 5.5698 8.7272 121.7830 55.0754 39.2286 174.9342 46 V 3.8868 8.2452 117.0381 61.5292 32.8022 175.0100 47 T 5.6692 8.5374 120.3038 59.1978 67.6183 172.6228 48 L 4.3366 8.4755 126.4155 54.0431 43.9666 176.2403 49 R 4.5373 8.7359 123.1857 55.8146 30.0847 174.2633 50 V 4.8690 8.2508 125.1940 60.4680 34.9244 174.3496 51 S 5.4929 8.9103 121.5159 57.2830 64.4569 173.2634 52 A 4.1192 8.6515 124.3879 54.2017 18.5452 176.4411 53 K 4.4804 9.5012 128.6785 56.7038 31.3332 178.5793 54 G 3.8523 7.9413 103.8104 48.3055 0.0000 175.1216 55 M 4.1706 8.2784 120.5909 58.5546 32.1464 179.1313 56 R 3.9451 8.0723 117.3653 59.1687 30.1732 179.1567 57 V 3.7488 8.2597 118.5438 65.7451 31.5596 178.1048 58 I 3.6250 7.8891 119.7523 64.4538 36.7056 178.0444 59 D 4.5090 8.2242 118.2920 56.3571 40.6074 176.9007 60 K 4.3293 7.1719 116.7271 58.1047 33.5354 177.7296 61 K 4.0533 8.5844 119.6659 57.1939 32.6205 178.6230 62 G 3.9376 7.9383 106.8860 45.6486 0.0000 174.2470 63 I 3.4349 8.5569 124.4130 64.7453 36.7623 178.3368 64 D 4.4593 7.9426 118.8613 57.4316 40.7721 178.6249 65 T 3.9660 8.0862 116.6530 65.8269 68.2825 177.4016 66 V 3.4724 7.3253 119.1605 65.9797 32.2028 177.8816 67 L 3.6199 8.1545 118.2571 56.7403 41.1761 179.3167 68 A 4.0566 7.3739 121.1219 54.6963 18.3652 177.8282 69 E 4.0378 7.4095 113.9133 57.1593 29.5748 174.7010 70 L 3.8103 7.7758 119.6834 55.2278 40.4854 176.9193 71 R 3.9725 8.1060 116.4240 60.0189 30.3384 178.8372 72 A 4.0971 8.0210 117.9540 53.6000 18.4899 177.7809 73 R 4.3419 7.0627 114.2633 55.2033 31.1939 176.1577 74 G 4.1314 8.9435 106.1824 46.3370 0.0000 174.3566 75 E 4.1262 8.0456 118.1059 56.0642 29.5776 175.8885 76 K 3.9238 8.0655 120.0206 54.3332 33.1975 176.7079 77 Y 4.0903 8.1517 122.5102 56.6930 39.2826 170.9101 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 S 8.33 4.42 0.00 3.89 3.94 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 2 R 8.09 3.99 0.00 1.97 1.91 0.00 3.11 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 3 V 7.86 4.47 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 0.77 0.00 0.00 0.94 0.00 0.00 4 C 8.80 4.37 0.00 3.04 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 5 Q 8.51 4.15 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.57 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 6 V 7.75 4.17 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 0.75 0.00 0.00 0.87 0.00 0.00 7 T 7.55 4.45 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 8 G 8.31 3.90 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 0.00 0.00 0.00 9 K 7.70 4.15 0.00 1.69 1.82 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.40 7.81 10 R 8.11 5.11 0.00 1.82 1.98 0.00 2.64 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.50 0.00 11 P 0.00 4.84 0.00 2.00 2.05 0.00 3.64 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 2.02 2.13 0.00 12 V 9.23 4.75 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 0.78 0.00 0.00 0.94 0.00 0.00 13 T 8.12 5.18 4.30 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 1.25 0.00 0.00 14 G 8.39 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 0.00 0.00 0.00 0.00 15 N 8.79 5.92 0.00 2.66 2.81 0.00 0.00 7.22 8.00 0.00 0.00 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 N 8.86 4.50 0.00 2.59 2.85 0.00 0.00 6.92 7.66 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 17 R 8.45 4.05 0.00 1.97 1.99 0.00 3.45 0.00 0.00 4.01 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 18 S 7.97 4.56 0.00 4.01 4.04 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 0.00 0.00 0.00 19 H 8.97 4.10 0.00 3.11 3.41 0.00 5.90 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.00 4.09 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 21 L 7.75 3.74 0.00 1.85 1.81 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.13 4.69 0.00 2.69 2.76 0.00 0.00 6.95 7.91 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 23 A 8.65 4.50 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 24 T 8.29 4.61 4.23 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 1.21 0.00 0.00 25 K 8.78 4.69 0.00 1.67 1.79 0.00 1.83 0.00 0.00 1.95 0.00 0.00 2.78 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.40 7.81 26 R 8.53 4.56 0.00 1.77 1.95 0.00 2.21 0.00 0.00 2.74 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 27 R 8.29 5.10 0.00 1.63 1.84 0.00 3.18 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 28 F 9.46 4.93 0.00 2.96 2.97 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 29 L 8.27 5.06 0.00 1.61 1.62 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.50 0.00 2.09 2.04 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.23 0.00 31 N 8.42 4.71 0.00 2.90 2.77 0.00 0.00 7.00 6.66 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 32 L 7.86 4.97 0.00 1.52 1.59 0.97 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 33 H 9.17 4.88 0.00 3.18 3.29 0.00 5.80 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 34 S 8.62 3.71 0.00 4.11 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 35 H 9.01 4.70 0.00 2.98 2.57 0.00 5.57 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.78 4.42 0.00 1.50 1.30 0.00 2.94 0.00 0.00 3.01 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.52 0.00 37 F 8.94 4.88 0.00 3.29 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 W 9.29 4.83 0.00 3.61 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 39 V 6.66 3.75 1.82 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 0.60 0.00 0.00 0.40 0.00 0.00 40 E 6.08 3.94 0.00 2.46 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 2.32 2.47 0.00 41 S 7.84 4.15 0.00 3.81 4.04 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 0.00 0.00 0.00 42 E 7.39 4.43 0.00 1.77 1.77 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 2.17 2.24 0.00 43 K 7.19 3.29 0.00 1.79 1.83 0.00 1.87 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.59 7.81 44 R 5.84 4.21 0.00 1.74 1.60 0.00 3.17 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 45 F 8.73 5.57 0.00 3.14 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 46 V 8.25 3.89 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 0.98 0.00 0.00 1.02 0.00 0.00 47 T 8.54 5.67 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 1.29 0.00 0.00 48 L 8.48 4.34 0.00 1.89 1.67 0.79 0.95 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 49 R 8.74 4.54 0.00 1.94 1.89 0.00 3.15 0.00 0.00 3.29 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 50 V 8.25 4.87 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 1.12 0.00 0.00 1.06 0.00 0.00 51 S 8.91 5.49 0.00 4.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.65 4.12 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 53 K 9.50 4.48 0.00 1.85 2.23 0.00 1.77 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.32 7.81 54 G 7.94 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 55 M 8.28 4.17 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.76 0.00 56 R 8.07 3.95 0.00 2.00 2.00 0.00 3.13 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 57 V 8.26 3.75 2.20 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 0.79 0.00 0.00 0.96 0.00 0.00 58 I 7.89 3.62 1.85 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.05 0.72 0.00 0.00 59 D 8.22 4.51 0.00 2.82 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.17 4.33 0.00 1.90 1.83 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.44 7.81 61 K 8.58 4.05 0.00 1.87 1.81 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.45 1.43 7.81 62 G 7.94 3.94 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 0.00 0.00 0.00 63 I 8.56 3.43 1.75 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.49 0.62 0.00 0.00 64 D 7.94 4.46 0.00 2.63 2.66 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 65 T 8.09 3.97 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 1.17 0.00 0.00 66 V 7.33 3.47 1.85 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 0.71 0.00 0.00 0.83 0.00 0.00 67 L 8.15 3.62 0.00 1.22 0.31 0.55 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.37 4.06 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 69 E 7.41 4.04 0.00 2.10 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 2.32 2.48 0.00 70 L 7.78 3.81 0.00 1.99 1.79 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.11 3.97 0.00 2.34 2.28 0.00 3.19 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 1.70 1.72 0.00 72 A 8.02 4.10 1.32 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 0.00 0.00 73 R 7.06 4.34 0.00 1.90 2.13 0.00 3.34 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 1.57 1.55 0.00 74 G 8.94 4.13 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 0.00 0.00 0.00 75 E 8.05 4.13 0.00 2.04 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 0.00 2.35 2.34 0.00 76 K 8.07 3.92 0.00 1.85 1.75 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.48 7.81 77 Y 8.15 4.09 0.00 3.14 3.03 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