NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.2399 8.3349 115.2931 60.0261 62.6285 173.7986 2 R 3.3122 7.6937 128.3611 56.2616 27.3992 172.8471 3 V 4.0807 7.5315 113.4553 59.8084 31.7392 176.4991 4 C 4.0262 8.1670 126.3129 60.3947 31.6864 174.6585 5 Q 3.9161 7.7420 123.1466 57.1934 28.6526 174.8556 6 V 3.8552 7.6357 115.7715 63.8956 31.6413 176.6473 7 T 4.4631 7.4666 106.5443 59.8185 69.9227 174.1760 8 G 4.0465 8.4346 108.7114 46.3245 0.0000 173.9251 9 K 3.9701 7.3891 117.3353 56.8009 32.5014 176.2929 10 R 4.7663 8.0368 119.6137 53.5909 34.2487 173.8168 11 P 4.4513 0.0000 0.0000 63.3905 29.9222 175.3761 12 V 4.3657 7.9968 119.8216 60.6942 33.5542 175.1071 13 T 4.5633 8.5784 115.4715 60.8392 69.9473 174.0983 14 G 4.5153 8.4774 114.6198 45.3752 0.0000 170.5458 15 N 5.0817 8.7841 118.3909 51.6083 41.4842 174.2573 16 N 4.1842 8.4886 119.3823 53.2526 38.3097 173.6320 17 R 3.6847 8.0422 126.9523 55.9764 25.7921 176.4128 18 S 4.2615 8.0008 116.4983 57.7841 63.9857 174.1496 19 H 4.5576 8.2316 117.7504 56.0835 29.4509 175.4633 20 A 4.0392 9.3119 127.5879 53.1590 17.3142 179.0384 21 L 4.2252 7.1582 113.1117 55.0829 39.5764 175.0667 22 N 4.6884 8.5713 117.0254 52.4892 39.8398 175.8893 23 A 4.2480 8.5788 127.3475 51.7515 19.0851 177.1001 24 T 4.4011 8.4766 112.9721 60.6120 70.9957 172.4101 25 K 4.9471 7.4654 125.1600 52.9040 31.5836 175.6110 26 R 4.0435 8.5067 122.0854 55.7167 31.3888 173.2737 27 R 3.7080 7.8638 125.1994 55.4367 27.1879 175.2925 28 F 4.4979 8.2971 124.7767 56.6080 40.0049 174.3760 29 L 4.5689 7.7840 121.0983 55.6118 41.6992 171.1962 30 P 4.7646 0.0000 0.0000 61.1149 33.2978 174.9782 31 N 4.7322 8.4069 117.2144 51.8681 38.1464 173.4848 32 L 5.3952 8.6366 125.1141 52.8432 43.3377 176.6148 33 H 4.6678 8.5650 119.9217 54.4336 29.3042 172.5724 34 S 3.5786 7.2584 117.9604 56.2421 60.7351 172.1864 35 H 4.6950 8.3011 124.6660 53.9098 32.2554 173.0846 36 R 4.4038 8.4170 124.8334 56.5830 30.8963 176.2077 37 F 5.0371 9.2454 119.9617 55.6013 43.1283 174.2393 38 W 5.5447 9.3603 132.4688 57.5090 31.3199 176.0772 39 V 3.7034 6.0165 114.6702 59.7489 33.3650 174.3497 40 E 3.2007 5.9000 119.4976 56.0281 27.8325 176.6863 41 S 3.7593 7.1053 115.7538 62.6324 63.8371 175.9665 42 E 3.8412 7.6471 122.3955 56.9097 30.2284 176.2809 43 K 3.2164 7.9533 118.3996 56.2144 30.0928 173.5838 44 R 4.6075 6.2685 113.7544 56.0527 33.1475 173.8347 45 F 6.2387 8.8246 117.8385 55.9593 40.2517 176.0623 46 V 4.4866 8.6877 117.7337 59.9484 33.7049 174.6577 47 T 5.1687 8.6744 120.3343 60.6030 69.0456 173.7255 48 L 4.7802 8.9067 127.7150 52.9073 46.0852 175.6415 49 R 4.2099 8.9972 123.2903 57.0347 30.4002 175.9030 50 V 4.4822 8.3483 120.8743 59.4448 33.7440 174.5174 51 S 5.0080 8.5081 115.5597 58.8272 65.2285 174.5330 52 A 4.1478 8.3740 124.5347 53.6662 18.7964 177.2137 53 K 4.3237 9.0924 127.1475 57.6795 31.7822 178.5514 54 G 4.2978 7.9126 104.1451 46.8694 0.0000 174.2231 55 M 4.4632 8.5060 120.2358 56.8484 33.2042 178.1246 56 R 4.6116 8.2475 120.0670 58.7551 30.1288 178.8397 57 V 3.6649 9.3256 118.8370 64.9146 31.3148 178.4828 58 I 4.0299 7.0567 114.2024 61.7202 36.8962 176.1847 59 D 4.7488 7.9435 121.9319 54.7469 42.0287 177.1424 60 K 4.2622 7.3022 119.5513 57.0900 32.9598 177.2418 61 K 3.7938 7.9111 121.7336 57.8642 32.7380 178.0533 62 G 3.9095 8.5174 106.0039 46.2384 0.0000 173.8013 63 I 3.1298 7.2646 114.5711 64.0367 38.2415 177.1998 64 D 4.4073 7.9106 119.8146 56.7798 41.0450 178.7009 65 T 3.8433 7.9529 115.6384 67.0591 68.2569 176.5272 66 V 3.9126 7.6693 119.4122 64.7629 31.5921 177.0713 67 L 4.3015 7.8005 116.6799 55.1335 41.4814 178.1846 68 A 4.1271 8.1453 122.6591 55.4736 18.5174 178.6627 69 E 4.1613 7.8715 114.8771 56.8491 31.6542 176.6543 70 L 4.1749 8.5911 122.2988 55.8917 39.7542 177.0793 71 R 3.9957 7.7202 116.7912 58.4350 30.3663 177.4830 72 A 4.3753 7.4389 117.3047 53.1815 18.0316 177.8267 73 R 4.4810 7.4982 112.7434 54.9408 33.8914 174.3291 74 G 3.5027 8.3197 105.9029 46.1053 0.0000 174.2619 75 E 4.6127 7.3565 119.5508 56.1110 30.5105 176.6969 76 K 3.3439 8.5355 117.4975 58.4677 33.8225 175.3279 77 Y 4.0252 8.5386 114.9684 58.1331 38.6751 168.9738 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 4.24 0.00 3.86 3.89 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 2 R 7.69 3.31 0.00 2.01 2.19 0.00 3.43 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 3 V 7.53 4.08 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 0.96 0.00 0.00 0.98 0.00 0.00 4 C 8.17 4.03 0.00 3.21 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 5 Q 7.74 3.92 0.00 2.56 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 6 V 7.64 3.86 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 0.92 0.00 0.00 0.89 0.00 0.00 7 T 7.47 4.46 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 8 G 8.43 4.05 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 0.00 0.00 0.00 9 K 7.39 3.97 0.00 1.88 1.77 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.43 7.81 10 R 8.04 4.77 0.00 1.75 1.81 0.00 3.22 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.89 0.00 11 P 0.00 4.45 0.00 2.19 2.13 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 12 V 8.00 4.37 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 0.88 0.00 0.00 1.08 0.00 0.00 13 T 8.58 4.56 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 1.22 0.00 0.00 14 G 8.48 4.52 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 0.00 0.00 0.00 15 N 8.78 5.08 0.00 2.61 2.69 0.00 0.00 6.78 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 8.49 4.18 0.00 2.71 2.74 0.00 0.00 7.08 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 17 R 8.04 3.68 0.00 1.99 2.07 0.00 3.38 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 18 S 8.00 4.26 0.00 4.06 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 19 H 8.23 4.56 0.00 3.14 3.33 0.00 6.00 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 9.31 4.04 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 21 L 7.16 4.23 0.00 1.90 2.14 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.57 4.69 0.00 2.63 2.76 0.00 0.00 6.99 8.39 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 23 A 8.58 4.25 1.23 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 0.00 0.00 0.00 24 T 8.48 4.40 4.22 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 1.20 0.00 0.00 25 K 7.47 4.95 0.00 1.65 1.69 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.42 1.43 7.81 26 R 8.51 4.04 0.00 1.68 1.89 0.00 2.79 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.71 0.00 27 R 7.86 3.71 0.00 1.91 1.94 0.00 3.22 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.63 0.00 28 F 8.30 4.50 0.00 3.24 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 7.78 4.57 0.00 1.72 1.67 0.96 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.76 0.00 2.20 2.09 0.00 3.78 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 31 N 8.41 4.73 0.00 2.93 3.09 0.00 0.00 5.81 6.67 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 32 L 8.64 5.40 0.00 1.54 1.65 1.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.56 4.67 0.00 3.09 3.27 0.00 5.54 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 7.26 3.58 0.00 3.96 4.07 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 35 H 8.30 4.70 0.00 3.22 2.97 0.00 5.79 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.42 4.40 0.00 1.39 1.63 0.00 3.07 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 37 F 9.25 5.04 0.00 3.19 2.93 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 38 W 9.36 5.54 0.00 3.67 3.15 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 39 V 6.02 3.70 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 0.63 0.00 0.00 0.56 0.00 0.00 40 E 5.90 3.20 0.00 1.90 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 2.37 2.31 0.00 41 S 7.11 3.76 0.00 3.73 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 7.65 3.84 0.00 1.85 1.84 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 2.27 2.26 0.00 43 K 7.95 3.22 0.00 1.83 1.80 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.21 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.35 1.49 7.81 44 R 6.27 4.61 0.00 1.93 1.98 0.00 3.08 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 45 F 8.82 6.24 0.00 3.13 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 46 V 8.69 4.49 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 0.83 0.00 0.00 0.93 0.00 0.00 47 T 8.67 5.17 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 1.30 0.00 0.00 48 L 8.91 4.78 0.00 1.70 1.53 0.63 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 49 R 9.00 4.21 0.00 1.88 1.94 0.00 3.18 0.00 0.00 3.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 50 V 8.35 4.48 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 1.04 0.00 0.00 1.11 0.00 0.00 51 S 8.51 5.01 0.00 3.94 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 52 A 8.37 4.15 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.09 4.32 0.00 1.95 1.94 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.36 7.81 54 G 7.91 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 0.00 0.00 0.00 0.00 55 M 8.51 4.46 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.74 0.00 56 R 8.25 4.61 0.00 1.94 2.03 0.00 3.22 0.00 0.00 3.35 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.57 0.00 57 V 9.33 3.66 2.19 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 0.76 0.00 0.00 0.92 0.00 0.00 58 I 7.06 4.03 1.96 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.52 0.71 0.00 0.00 59 D 7.94 4.75 0.00 2.96 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 60 K 7.30 4.26 0.00 1.71 1.69 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.40 7.81 61 K 7.91 3.79 0.00 1.87 1.87 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.46 7.81 62 G 8.52 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 0.00 0.00 0.00 63 I 7.26 3.13 1.79 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.50 0.92 0.00 0.00 64 D 7.91 4.41 0.00 2.66 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 65 T 7.95 3.84 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 1.20 0.00 0.00 66 V 7.67 3.91 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 1.00 0.00 0.00 0.88 0.00 0.00 67 L 7.80 4.30 0.00 1.63 1.72 0.71 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.15 4.13 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 69 E 7.87 4.16 0.00 2.08 1.95 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 2.40 2.46 0.00 70 L 8.59 4.17 0.00 2.19 2.21 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.72 4.00 0.00 1.73 1.88 0.00 3.09 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.42 0.00 72 A 7.44 4.38 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 R 7.50 4.48 0.00 1.84 1.90 0.00 3.27 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 1.56 1.60 0.00 74 G 8.32 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 0.00 0.00 0.00 75 E 7.36 4.61 0.00 1.98 1.92 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 2.19 2.46 0.00 76 K 8.54 3.34 0.00 1.98 1.89 0.00 1.72 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.52 7.81 77 Y 8.54 4.03 0.00 3.18 3.14 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 0.00 0.00 0.00 0.00