NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1839 8.2649 123.5844 52.6451 19.3878 177.2836 3 H 4.6779 8.6324 113.0450 52.7982 28.0911 172.1077 4 K 4.5040 7.9914 122.5962 54.6474 36.1386 176.1899 5 Q 4.3031 8.7440 121.7702 55.7826 28.8735 174.8101 6 I 4.3931 8.1598 125.4136 59.7291 39.0994 174.6997 7 Y 4.2968 8.5290 128.5702 56.7249 40.2728 173.5852 8 Y 4.5207 7.5579 124.7770 56.0507 39.0020 175.7934 9 S 4.4048 8.4348 119.8564 57.9289 64.1899 173.9498 10 D 4.6790 8.5418 120.0459 53.8960 41.4169 176.5730 11 K 5.1312 8.6756 120.3705 56.0987 33.2805 175.7496 12 Y 5.2456 8.2994 119.8849 55.6399 42.0530 173.5641 13 F 5.6170 8.2018 113.4837 55.5590 40.7768 174.1750 14 D 5.2403 9.1320 120.1510 53.6289 39.7854 177.3516 15 E 4.2469 9.0271 115.2576 58.3373 29.9406 176.8863 16 H 4.6752 8.4451 112.5856 55.2386 31.3658 172.7216 17 Y 4.6377 8.5260 115.7460 55.8900 41.6793 173.3907 18 E 5.1947 8.2263 121.4540 54.8654 32.6873 174.5109 19 Y 4.9900 9.0524 121.5071 56.6285 42.5327 174.2115 20 R 4.8004 8.3587 120.0502 55.5984 33.4109 173.5730 21 H 5.1222 9.2594 121.6683 54.1575 31.7574 173.7868 22 V 4.6092 8.1043 120.3059 61.3738 34.4041 174.3038 23 M 4.4902 8.9070 127.9023 53.9545 33.6354 174.9208 24 L 4.9780 8.2939 123.9365 51.8177 44.1446 174.8676 25 P 4.2499 0.0000 0.0000 63.0925 31.7450 177.1198 26 R 3.8176 8.7041 120.9053 60.0111 30.1282 178.1544 27 E 4.1093 8.0737 117.6446 59.3418 29.8088 178.8895 28 L 4.0422 7.8640 119.5863 57.8506 42.2999 178.8985 29 S 4.1596 8.0630 115.5329 61.4777 62.4748 176.6161 30 K 4.0426 7.6722 120.4479 59.2298 31.8508 178.4912 31 Q 4.2841 7.7322 115.4535 55.4779 29.1258 176.1278 32 V 3.8455 7.1456 121.1987 61.3053 32.1966 173.8983 33 P 4.2520 0.0000 0.0000 63.4562 31.5972 176.3205 34 K 4.2668 8.6006 121.0164 57.8694 32.7599 177.7529 35 T 4.3406 7.7259 106.9882 62.3964 69.6023 173.7084 36 H 4.6845 7.3746 115.3964 54.6472 30.7836 173.1523 37 L 4.3580 8.3054 120.3505 54.6370 42.3777 176.4780 38 M 4.7754 8.6757 120.0725 54.4600 33.5614 177.3649 39 S 4.5967 8.9380 118.2548 57.6464 65.6851 175.1861 40 E 2.6734 8.4648 121.8400 58.9194 29.2258 178.2558 41 E 3.7011 7.8158 118.9547 58.9294 29.2329 178.4238 42 E 3.9596 7.8716 118.6687 59.2329 29.4980 179.3667 43 W 4.4179 7.8920 116.1091 59.3386 28.2541 178.7108 44 R 4.0802 7.6344 119.1929 59.1554 29.1934 179.0669 45 R 3.9871 7.9925 117.0581 58.6311 30.1009 178.2919 46 L 4.2423 7.4215 118.3983 56.0610 42.1577 177.3697 47 G 4.1304 7.6534 106.1440 45.1896 0.0000 173.4970 48 V 3.9873 7.7818 120.2404 62.3871 31.5753 175.9438 49 Q 4.6844 9.2543 128.3460 54.0256 28.6139 174.7005 50 Q 4.4993 8.1998 118.8897 53.6947 31.8596 175.4039 51 S 4.4233 8.7338 114.4790 58.8153 63.4612 174.4071 52 L 4.8238 8.2390 121.8382 55.3241 42.2011 176.5329 53 G 4.1053 9.0241 108.6717 45.6718 0.0000 174.9243 54 W 4.3207 7.6106 119.5552 56.5858 29.4507 175.5287 55 V 4.5443 8.4551 122.5882 61.0015 32.9320 174.5650 56 H 4.4626 9.2327 126.9408 56.7573 28.8525 173.8721 57 Y 4.6720 8.5373 124.4881 57.0481 39.3406 175.5174 58 M 4.4857 6.8046 118.5138 53.9543 35.1971 173.5986 59 I 4.0211 7.9795 125.8482 60.6401 38.1141 175.5743 60 H 4.2044 8.6610 125.2870 55.3862 30.3916 174.1678 61 E 3.6214 8.4462 125.5656 56.2683 29.4796 174.7702 62 P 4.4328 0.0000 0.0000 61.5540 31.5028 175.7437 63 E 4.0255 8.5707 125.4384 54.7853 30.2009 174.6018 64 P 4.2927 0.0000 0.0000 63.4867 31.5643 175.3804 65 H 4.5469 8.6038 115.9550 54.5708 28.5614 174.7776 66 I 4.3627 8.1392 125.8494 59.5080 38.4423 175.3627 67 L 4.4817 8.4413 125.2033 52.9203 43.2189 175.7203 68 L 4.5334 8.0356 123.3201 53.1528 42.7293 175.9232 69 F 4.9600 8.6676 122.1046 55.5473 42.2285 174.6367 70 R 4.8109 8.3530 118.4953 54.5983 32.4724 174.3800 71 R 4.6215 8.2581 118.3524 53.6000 33.0793 173.1332 72 P 4.3979 0.0000 0.0000 62.5569 31.9490 176.2657 73 L 4.2395 8.1753 120.6522 53.8854 42.3447 175.3047 74 P 4.5006 0.0000 0.0000 62.4095 32.0430 176.9414 75 K 4.1844 8.3231 119.1077 57.1344 32.6750 176.0091 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 A 8.26 4.18 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 3 H 8.63 4.68 0.00 3.23 3.26 0.00 5.65 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 7.99 4.50 0.00 1.80 1.75 0.00 1.59 0.00 0.00 1.78 0.00 0.00 3.17 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.33 1.43 7.81 5 Q 8.74 4.30 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 6 I 8.16 4.39 1.71 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.58 0.29 0.00 0.00 7 Y 8.53 4.30 0.00 3.04 2.77 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 0.00 0.00 0.00 8 Y 7.56 4.52 0.00 2.70 2.71 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 9 S 8.43 4.40 0.00 4.02 4.01 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 0.00 0.00 0.00 10 D 8.54 4.68 0.00 2.78 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.68 5.13 0.00 1.85 1.98 0.00 1.93 0.00 0.00 2.61 0.00 0.00 3.34 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.68 1.42 7.81 12 Y 8.30 5.25 0.00 2.90 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 13 F 8.20 5.62 0.00 3.18 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 14 D 9.13 5.24 0.00 2.91 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 15 E 9.03 4.25 0.00 1.95 1.90 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 2.34 2.39 0.00 16 H 8.45 4.68 0.00 2.98 2.81 0.00 5.64 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.53 4.64 0.00 2.44 2.06 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 18 E 8.23 5.19 0.00 1.85 1.53 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 2.36 2.45 0.00 19 Y 9.05 4.99 0.00 1.43 2.18 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 20 R 8.36 4.80 0.00 1.28 0.84 0.00 2.55 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 1.34 1.69 0.00 21 H 9.26 5.12 0.00 3.17 3.13 0.00 5.63 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.10 4.61 1.90 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 0.52 0.00 0.00 0.73 0.00 0.00 23 M 8.91 4.49 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 24 L 8.29 4.98 0.00 1.44 1.53 0.84 1.06 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 25 P 0.00 4.25 0.00 2.20 2.18 0.00 3.70 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 2.06 2.03 0.00 26 R 8.70 3.82 0.00 1.81 2.02 0.00 3.22 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 27 E 8.07 4.11 0.00 2.02 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 2.39 2.30 0.00 28 L 7.86 4.04 0.00 1.75 1.75 0.94 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 29 S 8.06 4.16 0.00 4.05 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 30 K 7.67 4.04 0.00 1.87 1.88 0.00 1.70 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.66 7.81 31 Q 7.73 4.28 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 32 V 7.15 3.85 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 0.75 0.00 0.00 0.92 0.00 0.00 33 P 0.00 4.25 0.00 2.03 1.84 0.00 3.72 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.15 0.00 34 K 8.60 4.27 0.00 1.74 1.86 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.36 7.81 35 T 7.73 4.34 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 1.24 0.00 0.00 36 H 7.37 4.68 0.00 3.25 3.29 0.00 5.52 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.31 4.36 0.00 1.72 1.79 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 38 M 8.68 4.78 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 39 S 8.94 4.60 0.00 4.04 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 40 E 8.46 2.67 0.00 1.97 1.75 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 1.70 1.47 0.00 41 E 7.82 3.70 0.00 1.95 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 0.00 2.29 2.30 0.00 42 E 7.87 3.96 0.00 2.34 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 2.36 2.34 0.00 43 W 7.89 4.42 0.00 3.52 3.27 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 44 R 7.63 4.08 0.00 1.80 1.92 0.00 2.74 0.00 0.00 2.87 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.75 0.00 45 R 7.99 3.99 0.00 1.95 2.00 0.00 3.15 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 46 L 7.42 4.24 0.00 2.07 1.79 0.97 1.16 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 47 G 7.65 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 48 V 7.78 3.99 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 0.77 0.00 0.00 0.98 0.00 0.00 49 Q 9.25 4.68 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.49 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 50 Q 8.20 4.50 0.00 1.89 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.98 0.00 0.00 0.00 0.00 0.00 1.94 2.28 0.00 51 S 8.73 4.42 0.00 4.13 3.93 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 52 L 8.24 4.82 0.00 1.69 1.67 0.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 53 G 9.02 4.11 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 0.00 0.00 0.00 54 W 7.61 4.32 0.00 3.04 2.87 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 55 V 8.46 4.54 2.22 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 0.96 0.00 0.00 1.14 0.00 0.00 56 H 9.23 4.46 0.00 3.25 3.59 0.00 5.77 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 8.54 4.67 0.00 3.14 3.04 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 58 M 6.80 4.49 0.00 1.31 1.04 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 59 I 7.98 4.02 1.83 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.90 0.90 0.00 0.00 60 H 8.66 4.20 0.00 3.03 3.18 0.00 5.77 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 61 E 8.45 3.62 0.00 1.79 1.62 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 2.24 2.24 0.00 62 P 0.00 4.43 0.00 2.08 1.99 0.00 3.70 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 63 E 8.57 4.03 0.00 1.89 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 2.25 2.26 0.00 64 P 0.00 4.29 0.00 2.22 2.09 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 65 H 8.60 4.55 0.00 3.15 3.33 0.00 5.68 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 I 8.14 4.36 1.85 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 1.42 0.69 0.91 0.00 0.00 67 L 8.44 4.48 0.00 1.81 1.31 1.10 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.04 4.53 0.00 1.46 1.51 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 69 F 8.67 4.96 0.00 3.00 2.92 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 70 R 8.35 4.81 0.00 1.87 1.86 0.00 2.99 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 71 R 8.26 4.62 0.00 1.75 1.79 0.00 3.24 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 72 P 0.00 4.40 0.00 2.22 2.05 0.00 3.83 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 1.99 2.00 0.00 73 L 8.18 4.24 0.00 1.66 1.64 0.92 1.05 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 74 P 0.00 4.50 0.00 2.04 1.98 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 75 K 8.32 4.18 0.00 1.80 1.71 0.00 1.62 0.00 0.00 1.89 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.33 7.81