NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5578 8.3349 116.8313 58.3900 63.9665 176.6796 3 D 4.3700 9.2254 126.0922 52.3095 41.5878 174.5008 4 K 2.4800 8.8084 124.4919 55.2516 34.1177 174.7267 5 P 4.1807 0.0000 0.0000 62.9923 31.7968 176.4216 6 K 4.2928 8.3407 120.6873 55.7273 32.8691 177.3322 7 R 3.6441 8.2697 120.2155 55.5912 30.5526 175.2594 8 P 4.4048 0.0000 0.0000 62.0822 32.2327 176.1536 9 L 4.1103 8.1211 120.2442 54.5193 42.3408 178.0742 10 S 4.4056 8.3905 117.4845 57.5661 65.2675 175.0159 11 A 4.3256 8.6739 124.6659 56.0838 17.9778 179.5878 12 Y 2.3900 7.4570 116.8037 60.1046 38.6324 177.7298 13 A 3.6351 8.2473 122.1635 54.7106 18.1635 179.7532 14 L 3.8610 7.7937 117.2267 57.5279 42.1519 178.8688 15 W 2.0000 7.6391 128.3175 59.8147 30.5553 177.4187 16 L 2.4864 7.2196 119.9915 58.0584 40.9677 178.8596 17 N 4.1328 7.1450 115.5843 55.6422 38.5178 176.6957 18 S 4.3469 7.3652 113.1798 58.8385 64.0795 174.3874 19 A 4.3597 6.5970 123.4685 51.3087 20.5034 177.6506 20 R 3.6098 7.5958 116.6781 59.5338 30.0614 178.4659 21 E 3.9763 7.9539 117.7925 59.1028 29.4558 179.3341 22 S 4.1340 7.9023 114.2139 61.3170 63.1095 176.4534 23 I 3.7073 7.6139 123.2071 64.1303 36.6020 178.5210 24 K 3.9780 7.9088 118.3433 59.5296 31.9138 179.3576 25 R 4.0528 7.9401 117.6219 58.8914 30.0423 178.2576 26 E 4.4458 8.0203 116.6788 56.7846 31.2114 176.6280 27 N 4.9721 7.7244 116.3305 50.0889 39.2923 170.8605 28 P 4.2998 0.0000 0.0000 63.8483 32.2276 177.0326 29 G 3.8815 8.9169 110.3108 45.5935 0.0000 173.1530 30 I 3.8151 7.2413 119.5814 60.4340 38.6141 176.5729 31 K 4.2705 9.1478 127.3269 55.6908 34.1045 178.3028 32 V 3.5508 8.4601 122.0667 66.5958 31.3097 178.4277 33 T 3.8326 7.9113 108.6060 65.2772 68.4810 176.1003 34 E 4.0360 8.1291 121.4056 58.5551 29.4592 179.3396 35 V 3.6158 8.1666 118.6573 65.7218 31.4556 178.0412 36 A 4.0424 8.0266 120.6679 55.1239 18.2618 179.6049 37 K 3.9671 7.9745 117.7491 59.3904 32.1243 179.1679 38 R 4.0414 8.2375 119.4356 59.3626 30.1166 178.4072 39 G 4.2101 8.7030 106.2104 48.1422 0.0000 175.8468 40 G 3.7095 8.7005 108.1363 47.7773 0.0000 175.6283 41 E 4.0289 8.1746 120.2737 59.1380 29.6277 179.3286 42 L 4.1847 8.4597 119.1402 57.3230 41.8219 179.0441 43 W 3.6612 8.1939 128.2903 60.6626 30.4120 178.3112 44 R 3.8455 8.1218 116.0936 58.8247 29.5347 178.2798 45 A 4.2510 7.3956 118.7266 52.3760 18.7370 176.9626 46 M 3.9974 6.9883 118.2299 54.7452 32.6014 176.1793 47 K 3.8232 8.6819 126.2980 59.1670 32.4641 177.0300 48 D 4.5647 7.7592 121.4683 53.1689 40.8443 176.1687 49 K 4.4050 8.1824 125.7670 55.8353 32.6089 177.9851 50 S 4.0922 7.9361 116.1694 61.8351 62.6969 175.9644 51 E 3.6434 8.1044 122.9526 58.6378 29.1708 178.8079 52 W 4.6520 7.8945 117.5271 59.2752 29.3970 178.2914 53 E 4.2666 8.5073 118.7266 58.8352 28.9821 178.9355 54 A 4.0115 8.4628 121.4675 55.2092 18.5233 179.9100 55 K 3.9784 8.0905 116.6783 59.4840 32.1221 179.3648 56 A 4.0839 8.3393 120.9140 55.1434 18.2490 179.6288 57 A 3.9112 8.0617 119.0889 55.3847 18.6991 179.7166 58 K 3.8635 8.1797 117.8032 59.6930 32.1110 178.7554 59 A 4.0571 8.1955 121.1568 54.8929 18.3739 179.3119 60 K 4.1886 7.9809 117.3657 59.5728 32.2445 177.9170 61 D 4.4769 8.7357 120.1407 56.5009 40.5329 178.7322 62 D 4.3982 8.4016 118.7342 57.4764 41.1117 178.9427 63 Y 4.1137 8.1809 120.1161 61.1092 38.8797 178.0899 64 D 4.1284 8.2326 119.3285 56.8971 40.8508 178.3294 65 R 3.8091 8.2284 119.5857 59.4123 30.1049 178.1628 66 A 3.9655 8.3668 120.7177 55.2934 18.3097 179.8571 67 V 3.4725 7.5046 116.7443 65.6275 31.4797 178.0595 68 K 3.8554 7.9741 119.4113 59.7118 31.9791 178.2162 69 E 3.9123 8.3103 119.4761 59.2477 29.1575 178.7824 70 F 4.1800 7.8741 119.4023 61.4268 39.6672 176.6439 71 E 3.9547 8.1759 116.5371 59.4915 29.3049 179.0673 72 A 4.1698 8.2044 120.2120 54.0094 18.7089 177.7794 73 N 4.9314 7.6987 114.4203 52.8089 39.7131 174.8682 74 G 3.4897 7.9471 112.0999 45.7544 0.0000 174.3432 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 2 S 8.33 4.56 0.00 3.96 3.37 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 3 D 9.23 4.37 0.00 2.70 2.53 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 0.00 0.00 0.00 0.00 4 K 8.81 2.48 0.00 1.30 0.89 0.00 1.52 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.25 1.27 7.81 5 P 0.00 4.18 0.00 1.97 2.04 0.00 3.22 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.01 0.00 6 K 8.34 4.29 0.00 1.76 1.73 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.44 7.81 7 R 8.27 3.64 0.00 1.68 1.64 0.00 3.12 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 8 P 0.00 4.40 0.00 2.06 1.98 0.00 3.08 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.40 0.00 9 L 8.12 4.11 0.00 1.65 1.62 0.90 0.84 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 10 S 8.39 4.41 0.00 4.04 3.96 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 11 A 8.67 4.33 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.46 2.39 0.00 1.43 2.39 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 13 A 8.25 3.64 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 14 L 7.79 3.86 0.00 2.01 2.02 1.07 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 15 W 7.64 2.00 0.00 2.03 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.22 2.49 0.00 0.83 0.98 0.30 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17 N 7.14 4.13 0.00 2.65 2.73 0.00 0.00 7.03 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 18 S 7.37 4.35 0.00 4.09 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 19 A 6.60 4.36 0.38 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 0.00 0.00 20 R 7.60 3.61 0.00 1.86 1.76 0.00 2.95 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 21 E 7.95 3.98 0.00 1.95 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 2.25 0.00 22 S 7.90 4.13 0.00 4.05 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 23 I 7.61 3.71 1.94 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.04 0.91 0.00 0.00 24 K 7.91 3.98 0.00 1.87 1.84 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.43 1.53 7.81 25 R 7.94 4.05 0.00 2.03 1.99 0.00 3.31 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 26 E 8.02 4.45 0.00 1.97 2.01 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 2.32 2.64 0.00 27 N 7.72 4.97 0.00 2.63 2.68 0.00 0.00 6.83 8.09 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 28 P 0.00 4.30 0.00 2.03 1.99 0.00 3.72 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 2.03 2.08 0.00 29 G 8.92 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 30 I 7.24 3.82 2.05 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 1.30 0.86 0.94 0.00 0.00 31 K 9.15 4.27 0.00 1.98 1.70 0.00 1.91 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.43 7.81 32 V 8.46 3.55 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 1.06 0.00 0.00 0.92 0.00 0.00 33 T 7.91 3.83 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 34 E 8.13 4.04 0.00 2.17 2.05 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 2.41 2.37 0.00 35 V 8.17 3.62 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 1.02 0.00 0.00 0.94 0.00 0.00 36 A 8.03 4.04 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 37 K 7.97 3.97 0.00 1.87 1.99 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.46 7.81 38 R 8.24 4.04 0.00 2.13 2.11 0.00 3.29 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 1.67 1.78 0.00 39 G 8.70 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 0.00 0.00 0.00 0.00 40 G 8.70 3.71 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 0.00 0.00 0.00 41 E 8.17 4.03 0.00 2.26 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 0.00 2.38 2.40 0.00 42 L 8.46 4.18 0.00 2.07 1.87 1.15 1.18 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 W 8.19 3.66 0.00 3.38 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 44 R 8.12 3.85 0.00 1.82 1.95 0.00 3.21 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 45 A 7.40 4.25 1.30 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 0.00 0.00 46 M 6.99 4.00 0.00 1.41 1.67 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 47 K 8.68 3.82 0.00 1.72 1.78 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.35 7.81 48 D 7.76 4.56 0.00 2.56 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.18 4.40 0.00 2.00 1.67 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.27 0.00 0.00 0.00 0.00 1.02 1.02 7.81 50 S 7.94 4.09 0.00 4.05 4.34 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 51 E 8.10 3.64 0.00 1.71 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 1.51 2.00 0.00 52 W 7.89 4.65 0.00 3.95 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 53 E 8.51 4.27 0.00 2.23 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 2.55 2.71 0.00 54 A 8.46 4.01 1.35 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 55 K 8.09 3.98 0.00 2.01 1.97 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.58 7.81 56 A 8.34 4.08 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.06 3.91 1.45 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 0.00 0.00 58 K 8.18 3.86 0.00 1.92 1.87 0.00 1.55 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.55 7.81 59 A 8.20 4.06 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 60 K 7.98 4.19 0.00 2.00 1.87 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.45 7.81 61 D 8.74 4.48 0.00 2.97 2.65 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 62 D 8.40 4.40 0.00 3.05 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 63 Y 8.18 4.11 0.00 3.13 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 64 D 8.23 4.13 0.00 3.07 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 65 R 8.23 3.81 0.00 1.87 2.12 0.00 3.12 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 66 A 8.37 3.97 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 67 V 7.50 3.47 1.71 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 0.91 0.00 0.00 0.21 0.00 0.00 68 K 7.97 3.86 0.00 1.86 2.03 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.45 7.81 69 E 8.31 3.91 0.00 2.13 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 2.34 2.41 0.00 70 F 7.87 4.18 0.00 3.08 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.18 3.95 0.00 1.97 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 0.00 2.74 2.46 0.00 72 A 8.20 4.17 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 73 N 7.70 4.93 0.00 2.68 2.74 0.00 0.00 7.01 7.54 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 74 G 7.95 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00