NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 T 4.3197 8.1744 117.3746 65.9111 69.9210 172.2653 11 R 4.4741 8.0874 115.0057 55.9925 30.8804 174.2354 12 N 4.9847 7.8050 111.4916 53.4276 44.6630 177.0752 13 G 3.8805 8.2385 105.0520 46.1592 0.0000 173.3831 14 R 4.5135 9.0219 118.4667 53.9443 31.7228 175.7269 15 D 4.8799 7.8599 124.4697 54.1712 43.3877 176.8253 16 S 4.4794 8.4435 121.2806 57.7880 64.2319 173.1168 17 Q 4.4473 8.1719 118.3796 54.1249 30.0618 175.3897 18 A 4.0470 8.4108 122.2893 53.2732 18.7217 177.6034 19 K 4.3687 8.4005 118.5889 56.0602 32.9963 178.0070 20 R 3.4667 7.5332 113.7298 57.5453 26.5462 174.7858 21 L 4.4344 7.2497 122.6153 52.6584 44.6046 173.9583 22 G 3.6695 8.1850 104.0341 44.1576 0.0000 172.8274 23 V 3.9869 8.2403 118.9390 62.7353 31.8329 176.3865 24 K 4.1630 9.3022 126.8739 56.4905 33.1209 176.7965 25 R 4.1421 7.3589 116.9203 54.4724 32.4130 174.3408 26 Y 4.4959 7.7250 120.9998 56.9402 38.7733 175.3183 27 E 4.2346 8.2212 122.2495 57.9034 30.0684 175.1817 28 G 4.3291 9.7907 117.6394 46.2560 0.0000 174.4771 29 Q 4.1885 7.6984 117.1168 56.2264 29.9037 176.7741 30 V 4.4905 8.2533 121.2179 62.7688 33.0768 175.4154 31 V 4.6197 8.6897 117.6965 60.3102 36.7872 173.7960 32 R 5.1068 8.7471 121.0881 53.7351 32.3570 175.7428 33 A 4.0611 8.1125 123.6433 54.4347 18.5771 176.9330 34 G 4.3672 9.6884 115.5865 46.3891 0.0000 173.8289 35 N 4.1395 7.9089 116.7818 50.8441 38.8404 174.1161 36 I 4.3965 8.4674 118.0962 60.9637 38.4391 175.5145 37 L 4.5989 9.5203 124.6417 55.7998 44.3682 176.7494 38 V 4.7606 7.5226 117.0168 61.3077 35.4719 173.7187 39 R 5.0717 9.1038 126.6140 54.4603 32.6627 174.9307 40 Q 4.4627 8.5451 120.1001 55.2516 31.2796 173.7629 41 R 4.0211 9.1760 118.6294 57.6938 31.6689 180.5353 42 G 3.7923 7.4540 109.0666 45.9463 0.0000 175.6902 43 T 4.4607 7.7875 113.6537 60.3455 66.6972 173.7206 44 R 4.0344 7.8556 121.0530 58.5523 30.9860 177.5228 45 F 4.6938 8.8643 116.4654 55.5113 42.4207 174.9195 46 K 4.2524 7.9915 124.0030 54.7050 33.4783 174.7269 47 P 4.4863 0.0000 0.0000 62.7972 31.5854 176.4669 48 G 4.1768 8.5619 114.6622 46.2503 0.0000 173.6069 49 K 4.2843 8.9788 123.1373 56.3195 33.9594 177.2765 50 N 4.3065 8.9804 121.7962 53.8995 35.8638 174.3753 51 V 4.1653 7.6531 117.9269 61.8928 34.2838 174.2585 52 G 3.8366 7.4545 116.6868 45.6458 0.0000 170.9803 53 M 5.6578 7.3806 114.4515 56.3332 33.7179 174.0546 54 G 3.8723 8.8179 107.2534 45.8541 0.0000 176.0004 55 R 3.2960 8.0517 116.2478 56.2548 30.7340 176.0416 56 D 4.4260 7.8991 117.2419 53.4079 40.3405 177.4050 57 F 4.0882 7.9034 115.9065 58.9846 36.8951 174.8948 58 T 4.3830 8.0784 118.7416 63.5891 69.5010 173.4657 59 L 5.1838 8.9431 127.0270 53.2588 43.6616 175.6875 60 F 5.4759 8.3717 117.9694 54.5194 41.9117 174.2815 61 A 4.3263 9.4263 122.3555 52.6236 18.9968 177.9885 62 L 4.7660 8.2750 117.7586 54.9042 44.0000 177.3460 63 V 4.5416 7.6006 110.0316 59.6660 35.4174 173.6260 64 D 4.5815 9.0250 124.0782 54.7173 41.9415 176.9775 65 G 4.2462 7.8367 108.2647 46.1848 0.0000 171.4258 66 V 4.7689 7.4194 118.9481 61.2190 34.6520 176.0629 67 V 4.7937 8.2180 125.4788 61.6620 33.0875 174.3833 68 E 5.1617 9.6817 126.2501 54.6655 32.3134 174.6686 69 F 5.2352 9.4394 122.9445 56.0922 40.9744 175.1190 70 Q 4.6485 10.0078 124.6601 54.5046 32.7343 173.4937 71 D 5.0109 8.5633 124.6247 51.5588 42.2220 177.8011 72 R 4.4248 8.9323 129.4466 56.1600 30.5975 178.6584 73 G 3.8233 9.0194 111.8785 46.9437 0.0000 177.2305 74 R 4.6391 8.4045 117.5393 55.6397 28.9208 176.4080 75 L 4.5273 8.4253 116.5936 54.5908 46.2973 175.9609 76 G 4.0825 6.5351 105.6543 44.5682 0.0000 171.2521 77 R 4.5042 7.3087 118.5726 54.4615 31.4446 175.3399 78 Y 5.0166 8.8553 121.8102 56.7708 39.9730 174.9316 79 V 4.8196 8.0918 121.0640 61.3815 34.7694 173.9312 80 H 5.2744 9.5672 122.6516 54.1139 32.7212 171.9766 81 V 4.8782 8.4173 119.4765 61.1521 33.3013 175.0685 82 R 4.5805 9.0302 125.8263 53.6855 30.8162 174.1221 83 P 4.8684 0.0000 0.0000 62.4019 32.1930 176.6389 84 L 4.3866 8.4254 119.7541 53.1630 40.5241 176.9351 85 A 4.2981 8.1009 124.9745 52.0377 19.2443 176.0021 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 10 T 8.17 4.32 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 1.23 0.00 0.00 11 R 8.09 4.47 0.00 1.79 1.82 0.00 3.24 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.71 0.00 12 N 7.81 4.98 0.00 2.77 2.75 0.00 0.00 6.85 7.95 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 13 G 8.24 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 14 R 9.02 4.51 0.00 1.82 1.86 0.00 3.29 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 15 D 7.86 4.88 0.00 2.68 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 S 8.44 4.48 0.00 4.02 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 17 Q 8.17 4.45 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 18 A 8.41 4.05 1.27 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 0.00 0.00 0.00 19 K 8.40 4.37 0.00 1.74 1.81 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.37 7.81 20 R 7.53 3.47 0.00 1.87 2.09 0.00 3.36 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 21 L 7.25 4.43 0.00 1.64 1.63 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.19 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.24 3.99 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 1.05 0.00 0.00 0.86 0.00 0.00 24 K 9.30 4.16 0.00 1.57 1.73 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.48 7.81 25 R 7.36 4.14 0.00 1.73 1.82 0.00 3.36 0.00 0.00 3.17 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 26 Y 7.73 4.50 0.00 3.06 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.22 4.23 0.00 1.78 1.78 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 2.38 2.67 0.00 28 G 9.79 4.33 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 0.00 29 Q 7.70 4.19 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 30 V 8.25 4.49 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 0.85 0.00 0.00 0.95 0.00 0.00 31 V 8.69 4.62 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 0.70 0.00 0.00 1.02 0.00 0.00 32 R 8.75 5.11 0.00 1.78 1.84 0.00 3.43 0.00 0.00 3.31 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.47 0.00 33 A 8.11 4.06 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 34 G 9.69 4.37 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 0.00 35 N 7.91 4.14 0.00 2.86 2.79 0.00 0.00 6.89 6.68 0.00 0.00 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 I 8.47 4.40 1.93 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.40 0.91 0.00 0.00 37 L 9.52 4.60 0.00 1.48 1.69 0.81 -0.36 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 38 V 7.52 4.76 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 0.83 0.00 0.00 0.61 0.00 0.00 39 R 9.10 5.07 0.00 1.79 1.80 0.00 3.35 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 40 Q 8.55 4.46 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.10 0.00 0.00 0.00 0.00 0.00 2.43 2.71 0.00 41 R 9.18 4.02 0.00 1.81 1.89 0.00 3.28 0.00 0.00 3.26 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 42 G 7.45 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 43 T 7.79 4.46 3.70 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 0.00 0.00 0.99 0.00 0.00 44 R 7.86 4.03 0.00 2.21 2.20 0.00 3.25 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 1.66 1.66 0.00 45 F 8.86 4.69 0.00 2.64 2.83 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 46 K 7.99 4.25 0.00 0.79 1.08 0.00 0.98 0.00 0.00 1.46 0.00 0.00 2.77 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.13 0.88 7.81 47 P 0.00 4.49 0.00 2.16 2.00 0.00 3.64 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 1.99 1.97 0.00 48 G 8.56 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 0.00 0.00 0.00 0.00 49 K 8.98 4.28 0.00 1.72 1.74 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.64 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.52 1.52 7.81 50 N 8.98 4.31 0.00 3.05 2.88 0.00 0.00 6.53 7.68 0.00 0.00 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 V 7.65 4.17 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 0.63 0.00 0.00 0.98 0.00 0.00 52 G 7.45 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 53 M 7.38 5.66 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.35 0.00 54 G 8.82 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 55 R 8.05 3.30 0.00 1.80 1.71 0.00 3.30 0.00 0.00 3.23 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00 56 D 7.90 4.43 0.00 2.76 2.67 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 0.00 0.00 0.00 0.00 57 F 7.90 4.09 0.00 3.27 3.23 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 58 T 8.08 4.38 4.31 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 0.00 0.00 0.00 1.33 0.00 0.00 59 L 8.94 5.18 0.00 1.55 1.50 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.37 5.48 0.00 3.50 3.08 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.43 4.33 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 62 L 8.27 4.77 0.00 1.58 1.67 0.82 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.60 4.54 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 0.62 0.00 0.00 0.93 0.00 0.00 64 D 9.02 4.58 0.00 2.69 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.84 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 66 V 7.42 4.77 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 1.02 0.00 0.00 0.95 0.00 0.00 67 V 8.22 4.79 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 1.08 0.00 0.00 1.07 0.00 0.00 68 E 9.68 5.16 0.00 2.08 2.08 0.00 0.00 0.00 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 2.30 0.00 69 F 9.44 5.24 0.00 3.09 3.18 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 0.00 70 Q 10.01 4.65 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 71 D 8.56 5.01 0.00 2.84 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 72 R 8.93 4.42 0.00 2.24 1.94 0.00 3.41 0.00 0.00 3.10 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.22 0.00 73 G 9.02 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 74 R 8.40 4.64 0.00 1.81 1.94 0.00 3.32 0.00 0.00 3.14 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 75 L 8.43 4.53 0.00 1.84 1.71 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 76 G 6.54 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.31 4.50 0.00 0.95 1.49 0.00 2.88 0.00 0.00 2.71 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.34 0.00 78 Y 8.86 5.02 0.00 2.84 2.67 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 0.00 0.00 0.00 0.00 79 V 8.09 4.82 1.83 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 0.52 0.00 0.00 0.13 0.00 0.00 80 H 9.57 5.27 0.00 3.19 3.32 0.00 5.30 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.42 4.88 2.08 0.00 0.00 0.00 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 0.93 0.00 0.00 82 R 9.03 4.58 0.00 1.86 2.17 0.00 2.85 0.00 0.00 3.23 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 83 P 0.00 4.87 0.00 2.10 2.15 0.00 3.35 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.86 0.00 84 L 8.43 4.39 0.00 1.64 1.69 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.10 4.30 1.19 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 0.00 0.00