NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 I 3.8925 8.0244 121.4514 62.0913 38.3847 172.9722 10 D 4.0665 8.6732 127.5122 52.3016 38.8471 170.4389 11 P 4.9532 0.0000 0.0000 62.5345 33.5238 176.4836 12 R 4.1479 7.7451 119.9220 56.5132 31.7023 173.6209 13 I 4.2591 7.9619 118.5132 61.4165 37.0963 174.7224 14 H 4.7522 8.4243 121.0468 54.1753 30.4153 172.7126 15 Y 3.8218 8.4515 126.6374 57.7595 38.1189 170.0995 16 L 3.9724 8.3912 119.6746 56.5324 43.5264 178.0074 17 V 3.7344 7.6113 119.5839 60.6803 31.6524 174.2037 18 P 4.9620 0.0000 0.0000 61.9999 33.3349 175.1625 19 K 4.4532 8.2088 117.8530 56.0633 33.1247 176.1242 20 H 5.3875 8.9518 122.1150 54.2784 31.1976 174.1855 21 E 4.7392 8.9624 120.7262 54.4335 33.4004 175.2000 22 V 4.0973 8.5503 124.6913 62.8422 32.3593 175.1311 23 L 4.6020 8.0509 127.8084 53.6122 43.0089 177.0373 24 S 4.3148 8.7274 119.3745 58.2018 63.5970 175.4296 25 I 3.6876 8.6425 125.2407 64.9926 36.8620 178.3293 26 D 4.3594 8.0715 119.1773 57.2361 40.7001 178.1425 27 E 4.2695 8.1546 116.6832 58.3885 30.0898 178.2384 28 A 3.9765 8.2748 122.0867 54.7138 18.5086 178.9850 29 Y 3.9394 7.8449 118.7167 60.7911 38.4699 177.9709 30 K 3.9800 7.8531 119.5580 59.2470 32.1153 178.9838 31 I 3.6549 7.4267 120.4418 64.2943 37.1459 178.0872 32 L 3.8528 7.4556 119.3421 57.9213 41.2496 179.7426 33 K 3.8581 7.4107 117.9914 59.2503 32.1152 178.4923 34 E 4.0664 7.4359 117.2214 59.0547 29.4727 178.6319 35 L 4.2471 8.1962 117.4660 54.2687 42.6829 176.7341 36 G 3.9594 7.9409 107.2434 46.3862 0.0000 173.5658 37 I 4.6467 7.2059 109.0907 58.3622 41.3796 175.6656 38 R 4.1160 8.4098 121.1979 55.5345 30.5029 176.0836 39 P 4.4156 0.0000 0.0000 64.9704 31.6756 177.5572 40 E 3.9202 7.8843 118.6908 58.8844 29.6172 177.4300 41 Q 4.4841 7.7273 116.9669 55.8806 29.1979 175.4351 42 L 4.7731 7.3757 117.9493 52.1036 44.0555 175.7807 43 P 4.0887 0.0000 0.0000 63.8390 31.4280 176.3697 44 W 4.4084 8.3749 115.8255 56.8470 29.4617 173.4983 45 I 4.7470 8.0861 119.6313 59.0360 40.7592 174.8008 46 R 4.2407 8.6033 125.8376 56.1317 30.5748 177.7607 47 A 4.0662 8.4303 123.9845 55.1528 18.6789 179.3945 48 S 4.2003 7.9901 111.0802 60.8993 63.4601 174.3251 49 D 4.3463 7.6971 120.1525 54.1436 41.1721 175.4608 50 P 4.2739 0.0000 0.0000 66.2909 31.2615 178.4541 51 V 3.6495 7.6987 117.0904 65.7691 31.3718 177.7865 52 A 4.0398 7.8545 120.0138 54.9933 17.6625 179.5592 53 R 3.9829 7.9179 115.7126 58.5644 30.0561 178.8225 54 S 4.1407 7.6140 112.7291 60.9882 62.5655 175.1269 55 I 4.0973 7.6755 117.9670 60.0516 38.9344 174.5573 56 N 4.0034 7.4356 113.5668 54.1400 35.6519 171.8740 57 A 4.7175 8.1205 122.1889 49.5777 21.9129 176.7228 58 K 4.0586 8.3630 122.0351 55.3202 32.8461 174.9751 59 P 4.4359 0.0000 0.0000 65.4128 30.5234 176.0054 60 G 4.1630 8.1806 121.3471 46.3450 0.0000 171.9828 61 D 4.3913 7.0181 120.5628 53.8058 41.2607 175.5482 62 I 4.4444 8.0246 115.8225 59.4212 39.7563 175.0759 63 I 4.2774 8.4596 127.5497 61.0408 38.9785 174.7073 64 R 5.0315 9.2157 125.8974 54.8451 32.7866 174.2226 65 I 4.8057 8.7182 128.1627 59.6760 39.5579 174.6984 66 I 4.6389 8.4282 128.9890 59.7033 38.7376 174.9634 67 R 4.7723 8.4077 123.9995 53.7728 32.4518 175.7650 68 K 4.8917 8.5020 120.3009 56.7061 33.5410 176.3256 69 S 4.4740 8.0969 113.2594 57.8763 64.9662 175.6700 70 Q 4.1777 9.1813 126.7084 57.9574 29.0218 176.8054 71 L 4.5065 8.0174 116.0468 56.1592 43.1062 176.6870 72 Y 4.6149 8.0707 115.2845 56.8467 39.1437 175.3124 73 G 4.0753 8.1242 111.2252 45.2539 0.0000 172.9928 74 E 5.1929 7.4639 118.6527 53.6851 33.8447 174.6350 75 V 4.5428 8.8783 123.0979 61.0851 35.1487 174.1410 76 V 4.5284 8.4104 127.1023 61.4921 32.7653 174.4334 77 S 4.4318 8.3164 121.5230 56.5775 66.5100 171.4610 78 Y 5.3433 8.2071 118.2403 56.7015 42.0817 174.7107 79 R 5.0123 8.5873 118.7418 55.5563 33.1331 174.2623 80 Y 4.5228 8.7137 115.5840 57.3292 41.7289 172.8357 81 V 4.2985 8.2190 125.5406 63.2029 32.0752 171.0857 82 I 3.9593 8.0959 126.2750 61.4251 37.5135 175.3495 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 9 I 8.02 3.89 1.87 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 1.30 1.07 0.92 0.00 0.00 10 D 8.67 4.07 0.00 2.86 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 11 P 0.00 4.95 0.00 2.23 2.13 0.00 3.82 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 1.91 2.03 0.00 12 R 7.75 4.15 0.00 1.80 1.88 0.00 3.31 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.55 0.00 13 I 7.96 4.26 1.85 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 1.42 1.71 0.86 0.00 0.00 14 H 8.42 4.75 0.00 3.23 3.20 0.00 5.79 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 8.45 3.82 0.00 3.00 2.95 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 16 L 8.39 3.97 0.00 1.61 1.56 0.92 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.61 3.73 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 0.90 0.00 0.00 1.01 0.00 0.00 18 P 0.00 4.96 0.00 2.03 2.09 0.00 3.82 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.94 0.00 19 K 8.21 4.45 0.00 1.78 1.79 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.41 7.81 20 H 8.95 5.39 0.00 2.97 3.25 0.00 5.84 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.96 4.74 0.00 2.04 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 2.24 2.25 0.00 22 V 8.55 4.10 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 0.77 0.00 0.00 0.94 0.00 0.00 23 L 8.05 4.60 0.00 1.73 1.58 0.86 0.91 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 24 S 8.73 4.31 0.00 3.87 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 25 I 8.64 3.69 1.87 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 1.64 1.25 0.92 0.00 0.00 26 D 8.07 4.36 0.00 2.70 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 27 E 8.15 4.27 0.00 2.21 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 0.00 2.47 2.40 0.00 28 A 8.27 3.98 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 29 Y 7.84 3.94 0.00 3.11 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 30 K 7.85 3.98 0.00 2.07 1.98 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.52 7.81 31 I 7.43 3.65 1.75 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.59 0.48 0.00 0.00 32 L 7.46 3.85 0.00 1.64 1.61 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.41 3.86 0.00 1.23 1.54 0.00 1.62 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.32 7.81 34 E 7.44 4.07 0.00 2.27 1.97 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 2.31 2.53 0.00 35 L 8.20 4.25 0.00 1.56 1.70 0.97 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.94 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 0.00 0.00 0.00 37 I 7.21 4.65 1.84 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 1.37 0.73 0.95 0.00 0.00 38 R 8.41 4.12 0.00 1.86 1.86 0.00 3.12 0.00 0.00 3.38 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 39 P 0.00 4.42 0.00 2.16 2.30 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 40 E 7.88 3.92 0.00 2.12 2.26 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 2.39 2.16 0.00 41 Q 7.73 4.48 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 42 L 7.38 4.77 0.00 1.93 1.72 1.16 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.09 0.00 2.23 2.15 0.00 3.96 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 2.16 2.13 0.00 44 W 8.37 4.41 0.00 3.63 3.28 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 45 I 8.09 4.75 1.98 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.04 1.01 0.00 0.00 46 R 8.60 4.24 0.00 1.94 1.93 0.00 3.20 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 47 A 8.43 4.07 1.24 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 0.00 0.00 48 S 7.99 4.20 0.00 3.88 3.94 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 0.00 0.00 0.00 49 D 7.70 4.35 0.00 2.81 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 50 P 0.00 4.27 0.00 2.26 2.20 0.00 3.83 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 51 V 7.70 3.65 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 0.56 0.00 0.00 0.87 0.00 0.00 52 A 7.85 4.04 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.92 3.98 0.00 1.86 1.98 0.00 3.12 0.00 0.00 3.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 54 S 7.61 4.14 0.00 4.01 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 55 I 7.68 4.10 1.87 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 1.65 0.82 0.95 0.00 0.00 56 N 7.44 4.00 0.00 2.91 2.80 0.00 0.00 6.66 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 57 A 8.12 4.72 1.22 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 0.00 0.00 58 K 8.36 4.06 0.00 1.78 1.69 0.00 1.86 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.43 7.81 59 P 0.00 4.44 0.00 1.96 1.95 0.00 3.71 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 1.97 2.02 0.00 60 G 8.18 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 61 D 7.02 4.39 0.00 2.56 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.02 4.44 2.08 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.91 1.10 0.00 0.00 63 I 8.46 4.28 1.96 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 1.31 0.66 0.99 0.00 0.00 64 R 9.22 5.03 0.00 2.07 2.02 0.00 3.32 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 65 I 8.72 4.81 1.73 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 1.06 0.59 0.72 0.00 0.00 66 I 8.43 4.64 1.85 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 1.26 1.22 0.89 0.00 0.00 67 R 8.41 4.77 0.00 1.82 1.93 0.00 2.74 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 68 K 8.50 4.89 0.00 1.64 1.80 0.00 1.83 0.00 0.00 2.28 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.27 7.81 69 S 8.10 4.47 0.00 3.89 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 70 Q 9.18 4.18 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.62 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 71 L 8.02 4.51 0.00 1.66 1.74 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 8.07 4.61 0.00 2.75 2.88 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 73 G 8.12 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 74 E 7.46 5.19 0.00 1.74 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 2.17 2.24 0.00 75 V 8.88 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 0.92 0.00 0.00 1.06 0.00 0.00 76 V 8.41 4.53 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 0.52 0.00 0.00 0.93 0.00 0.00 77 S 8.32 4.43 0.00 3.77 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 78 Y 8.21 5.34 0.00 2.93 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 79 R 8.59 5.01 0.00 1.79 2.00 0.00 3.59 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 80 Y 8.71 4.52 0.00 3.06 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 81 V 8.22 4.30 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 0.90 0.00 0.00 0.94 0.00 0.00 82 I 8.10 3.96 1.70 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.37 0.69 0.00 0.00