NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 S 4.5042 8.1933 115.3091 57.3842 63.5036 174.6535 15 P 4.2763 0.0000 0.0000 63.1058 31.2859 175.8554 16 Q 4.0461 8.5700 116.2498 57.5541 30.0835 175.6621 17 Y 4.5354 7.6323 118.3875 57.5289 37.8814 175.3639 18 N 4.8882 7.5920 118.5345 51.4587 40.8314 175.0500 19 W 4.2631 8.6272 117.8269 59.4237 28.0417 178.6610 20 V 2.8190 6.8928 118.5492 65.5381 31.0535 177.5999 21 A 3.8750 8.2591 120.7688 55.4934 18.1393 179.0112 22 C 4.4414 8.6014 115.4507 60.0736 40.3547 176.6572 23 G 3.5954 8.4968 107.6688 47.7150 0.0000 175.9304 24 I 3.6989 7.9286 122.2440 63.9751 37.0888 178.0964 25 L 3.9214 7.9653 121.1511 58.1779 41.9168 178.5421 26 E 4.0216 8.5525 119.5119 59.3076 29.5407 178.8981 27 G 3.7898 8.4210 106.0241 47.9524 0.0000 175.8540 28 G 3.6494 8.4294 108.8081 47.4576 0.0000 175.8512 29 L 4.1010 8.2321 121.4281 57.1570 41.5812 179.8260 30 K 3.9507 8.2780 118.4940 59.5005 31.8671 179.2897 31 A 4.0163 8.2159 119.7873 54.8943 18.3690 178.8310 32 A 4.2539 8.0661 117.2006 52.4590 18.6853 178.1283 33 G 3.8684 7.9794 105.2199 46.2358 0.0000 174.9774 34 V 4.1613 7.7512 114.4164 61.3543 33.3433 176.3238 35 L 4.6047 7.7462 121.1183 53.9956 42.8148 175.2300 36 E 4.7858 8.7914 124.3883 53.8734 33.1972 175.2398 37 E 3.8909 8.5900 121.8190 57.5498 30.0681 176.9231 38 G 3.8198 8.8298 113.4473 46.1551 0.0000 173.3371 39 Q 4.3531 7.6382 118.2976 55.6200 29.6494 175.4727 40 Y 4.7322 9.0770 119.7259 56.7030 40.4754 176.3548 41 N 4.2053 8.8302 120.2927 57.4288 38.9035 176.9914 42 R 3.8916 8.4836 119.5700 59.5315 30.0382 178.2847 43 E 3.9722 8.2047 117.7469 59.3273 29.5044 178.8908 44 L 3.9260 7.9859 120.0819 58.0882 42.1030 178.7229 45 A 3.9811 8.2941 120.9940 55.3949 18.2970 179.4828 46 E 3.8964 8.6025 117.1283 59.3785 29.6231 179.4779 47 A 4.0068 8.2512 120.9534 55.1570 18.4893 179.7663 48 I 3.6496 8.0508 118.2584 64.5546 37.0979 178.5037 49 A 4.1905 8.2712 121.5312 55.1443 17.9498 179.4720 50 A 3.9775 7.9697 118.3236 55.3934 18.5968 179.8052 51 K 4.2444 7.9433 114.9580 58.6780 32.2499 179.1645 52 G 4.1624 7.8283 106.1541 44.7300 0.0000 174.1611 53 E 4.2324 7.5939 121.0185 56.5277 30.5803 177.1383 54 G 4.0604 8.5945 108.7124 44.6559 0.0000 173.0122 55 F 3.8453 8.7282 120.0606 61.5291 38.9625 178.3358 56 W 4.6134 8.0997 117.9865 59.8460 28.7890 178.6125 57 T 4.1965 8.1001 109.0383 64.8345 68.4664 176.2909 58 T 4.0893 7.7463 111.5969 64.0356 69.1736 176.2708 59 Q 4.2080 7.6881 118.5977 55.7116 29.4139 175.7182 60 F 4.5326 7.9168 118.4791 53.9119 41.1884 173.3137 61 P 4.3413 0.0000 0.0000 65.9537 30.8045 178.0439 62 Q 4.0310 8.2273 118.8242 59.1970 28.9362 178.1973 63 I 4.0227 8.0148 120.6310 64.1138 37.2417 178.2038 64 G 3.8376 8.3203 106.8056 48.1102 0.0000 175.1735 65 D 4.3867 8.4444 120.7113 56.6997 41.1896 178.0153 66 W 4.0939 8.7278 129.4164 60.3891 30.6718 177.2561 67 N 4.4495 8.9390 117.3627 56.9944 38.4569 176.6365 68 E 3.9610 8.1832 119.7050 59.4655 29.5885 179.0743 69 D 4.2746 8.4074 119.2303 57.6445 40.8334 179.0556 70 Q 3.6852 7.9098 118.5105 58.4674 28.4600 178.5630 71 A 3.8975 8.0278 121.8462 54.9882 18.4319 179.5250 72 A 3.8807 8.0594 119.0588 55.2353 18.4815 179.7446 73 A 3.9118 7.9566 119.2927 55.2169 18.3715 179.6560 74 L 3.9058 8.2015 118.9370 58.1903 42.0598 179.0585 75 A 3.9958 8.2505 120.9235 55.1083 18.2727 179.3919 76 D 4.2816 8.1328 117.5349 57.5285 40.8859 179.0652 77 R 4.0543 8.1726 118.3404 59.3017 30.0251 178.8415 78 A 4.0315 8.2656 120.6461 55.2629 18.4675 179.3707 79 Q 4.0318 8.3564 118.1701 59.8452 28.9091 178.7712 80 T 3.8676 7.7390 115.4048 66.6000 68.4832 175.2348 81 C 4.7263 8.1500 115.6070 57.0188 40.2589 174.3261 82 G 3.9169 7.9145 108.8445 46.1995 0.0000 174.8134 83 L 4.3441 8.1300 120.7271 55.7673 42.2233 177.0356 84 V 4.6604 7.2158 109.4889 59.3635 36.0459 175.1047 85 K 4.3013 8.6997 121.8959 55.6454 33.3200 176.7259 86 A 4.6537 8.4685 125.0410 51.5471 18.9687 177.4293 87 D 4.5159 8.8564 121.5034 54.6203 41.7869 175.6806 88 T 4.7677 7.8376 111.0660 59.4244 72.1898 174.0645 89 Y 4.0191 8.6205 122.1218 59.1023 38.8750 175.6405 90 L 4.1901 7.9130 123.8104 55.7932 42.8797 173.5148 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 14 S 8.19 4.50 0.00 4.01 4.15 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 15 P 0.00 4.28 0.00 2.16 2.11 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 16 Q 8.57 4.05 0.00 1.91 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.43 0.00 0.00 0.00 0.00 0.00 2.12 1.41 0.00 17 Y 7.63 4.54 0.00 3.18 2.99 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 18 N 7.59 4.89 0.00 2.94 3.05 0.00 0.00 5.85 8.88 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 19 W 8.63 4.26 0.00 3.63 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.89 2.82 1.66 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 0.70 0.00 0.00 -0.74 0.00 0.00 21 A 8.26 3.88 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 22 C 8.60 4.44 0.00 3.16 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 23 G 8.50 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 24 I 7.93 3.70 1.97 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.80 0.89 0.00 0.00 25 L 7.97 3.92 0.00 1.77 1.89 0.93 0.79 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 26 E 8.55 4.02 0.00 2.09 2.11 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 2.33 2.36 0.00 27 G 8.42 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 28 G 8.43 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 29 L 8.23 4.10 0.00 1.72 1.74 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.28 3.95 0.00 1.99 1.86 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.47 1.61 7.81 31 A 8.22 4.02 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 32 A 8.07 4.25 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 G 7.98 3.87 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 0.00 0.00 0.00 34 V 7.75 4.16 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 0.75 0.00 0.00 1.00 0.00 0.00 35 L 7.75 4.60 0.00 1.59 1.57 1.06 0.85 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 36 E 8.79 4.79 0.00 1.95 1.79 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 2.23 2.36 0.00 37 E 8.59 3.89 0.00 1.90 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 0.00 2.28 2.35 0.00 38 G 8.83 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 0.00 0.00 0.00 39 Q 7.64 4.35 0.00 2.27 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.88 0.00 0.00 0.00 0.00 0.00 2.48 2.39 0.00 40 Y 9.08 4.73 0.00 2.99 3.07 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 0.00 0.00 0.00 0.00 41 N 8.83 4.21 0.00 3.01 3.24 0.00 0.00 7.17 7.23 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 42 R 8.48 3.89 0.00 2.16 1.93 0.00 3.13 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 1.63 1.68 0.00 43 E 8.20 3.97 0.00 2.31 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 2.45 2.47 0.00 44 L 7.99 3.93 0.00 1.93 1.83 0.96 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.29 3.98 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 46 E 8.60 3.90 0.00 2.21 2.02 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 2.34 2.44 0.00 47 A 8.25 4.01 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 48 I 8.05 3.65 2.01 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 1.47 1.05 0.92 0.00 0.00 49 A 8.27 4.19 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.97 3.98 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 51 K 7.94 4.24 0.00 1.92 1.92 0.00 1.86 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.61 7.81 52 G 7.83 4.16 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 0.00 53 E 7.59 4.23 0.00 2.10 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 2.41 2.60 0.00 54 G 8.59 4.06 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 0.00 0.00 0.00 55 F 8.73 3.85 0.00 2.89 2.52 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 56 W 8.10 4.61 0.00 3.53 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 57 T 8.10 4.20 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 1.45 0.00 0.00 58 T 7.75 4.09 4.15 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 1.19 0.00 0.00 59 Q 7.69 4.21 0.00 1.88 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.87 0.00 0.00 0.00 0.00 0.00 1.56 1.16 0.00 60 F 7.92 4.53 0.00 3.26 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 61 P 0.00 4.34 0.00 2.30 2.34 0.00 3.71 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 2.12 2.03 0.00 62 Q 8.23 4.03 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.95 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 63 I 8.01 4.02 2.36 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.60 1.01 0.00 0.00 64 G 8.32 3.84 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 0.00 0.00 0.00 65 D 8.44 4.39 0.00 2.86 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 66 W 8.73 4.09 0.00 3.53 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.94 4.45 0.00 3.19 3.17 0.00 0.00 7.26 7.39 0.00 0.00 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 E 8.18 3.96 0.00 2.22 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 2.53 0.00 69 D 8.41 4.27 0.00 2.63 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 3.69 0.00 1.30 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 71 A 8.03 3.90 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 72 A 8.06 3.88 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 73 A 7.96 3.91 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 74 L 8.20 3.91 0.00 1.79 1.78 0.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 75 A 8.25 4.00 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 76 D 8.13 4.28 0.00 2.93 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 77 R 8.17 4.05 0.00 2.11 2.13 0.00 3.16 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.88 0.00 78 A 8.27 4.03 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 8.36 4.03 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.58 0.00 80 T 7.74 3.87 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 0.23 0.00 0.00 81 C 8.15 4.73 0.00 3.26 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 82 G 7.91 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 0.00 0.00 0.00 0.00 83 L 8.13 4.34 0.00 1.72 1.74 0.96 1.07 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 84 V 7.22 4.66 2.15 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 0.70 0.00 0.00 0.94 0.00 0.00 85 K 8.70 4.30 0.00 1.02 1.51 0.00 0.61 0.00 0.00 1.10 0.00 0.00 2.67 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.24 1.08 7.81 86 A 8.47 4.65 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 87 D 8.86 4.52 0.00 2.70 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 88 T 7.84 4.77 4.29 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 1.31 0.00 0.00 89 Y 8.62 4.02 0.00 2.87 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 90 L 7.91 4.19 0.00 1.65 1.49 0.46 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00