NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 G 3.8471 8.3501 109.7399 45.3450 0.0000 172.8554 8 A 4.3657 8.2948 123.3249 50.4162 20.8252 174.1519 9 M 3.5914 9.5847 129.3481 55.5988 32.9311 174.9412 10 A 4.6388 7.4612 121.5063 49.5270 19.0160 173.3811 11 P 4.4619 0.0000 0.0000 61.3237 32.4532 175.2884 12 P 4.3748 0.0000 0.0000 62.9906 30.4226 175.7957 13 V 4.4719 7.8639 115.7954 60.3236 35.5853 175.1761 14 A 4.6779 8.4885 121.2975 52.1581 19.1806 176.4122 15 A 4.7382 7.5736 120.3234 51.3284 22.5930 175.7579 16 P 4.4615 0.0000 0.0000 62.2887 32.0558 176.2188 17 S 4.2864 8.4651 116.1884 58.3112 62.2828 172.5929 18 P 4.4197 0.0000 0.0000 62.5883 31.6661 177.1770 19 A 4.6859 8.2670 124.4049 50.1018 19.2124 175.1536 20 V 4.5046 7.9882 112.6982 59.4727 35.4777 175.2246 21 T 5.4735 7.5350 113.8880 59.6292 70.3425 172.6896 22 Y 4.6516 8.4293 121.2277 56.2761 42.0490 174.4989 23 A 4.8007 8.3065 124.1646 50.2442 20.8214 177.2884 24 L 4.2204 8.1892 120.4202 56.0052 42.3466 177.6594 25 Q 3.6785 9.0815 117.7117 56.5924 26.7744 172.9201 26 E 4.7125 7.4099 119.5891 54.4262 32.2386 174.6353 27 D 5.1062 8.5608 126.1612 54.0446 42.0300 176.1325 28 V 4.5740 8.7050 115.1782 59.7763 36.8408 174.1918 29 F 5.0759 8.7637 121.6296 57.1475 40.6899 174.8419 30 I 5.8692 9.4781 123.4763 58.5780 40.3226 174.4928 31 K 3.8877 8.5332 128.5550 55.7048 32.8901 175.7788 32 C 4.5384 8.9344 128.1869 57.8862 33.2136 173.8988 33 N 4.3259 8.7645 120.2266 56.3370 38.5956 175.3434 34 D 4.3772 7.9481 115.9197 55.2929 41.5012 176.5522 35 G 4.0121 8.2611 106.9774 45.3855 0.0000 174.0869 36 R 4.2102 7.7445 118.9556 55.8930 31.6317 175.2244 37 F 5.3438 8.5808 121.1154 56.1435 41.1380 174.6236 38 Y 4.9075 9.6316 121.4433 56.0555 40.5690 174.6685 39 L 4.5016 8.9534 126.5252 54.7753 43.7117 175.6401 40 G 3.9036 8.9635 112.1401 45.3452 0.0000 171.0832 41 T 5.0172 8.6729 117.2223 61.4512 70.7362 174.6590 42 I 4.1522 8.6234 128.6293 61.4756 37.5850 176.6402 43 I 4.2048 8.5456 120.3357 61.7226 39.7335 175.1555 44 D 4.9560 7.5466 120.1795 52.8585 44.7512 173.8740 45 Q 5.0849 8.7479 119.9112 54.7640 32.0023 173.8743 46 T 4.6322 8.5087 110.6537 59.7070 71.7019 174.0291 47 S 4.2836 8.4440 116.1860 60.1459 63.0967 174.9368 48 D 4.7966 7.8132 118.1849 53.8425 41.0545 175.8262 49 Q 4.9930 8.1530 117.2062 54.5342 34.1482 173.4753 50 Y 5.1391 9.5000 117.9179 56.2095 41.7873 174.7886 51 L 3.8029 8.6470 126.9765 54.1684 43.1067 175.1846 52 I 4.4791 8.5098 128.1222 59.3118 39.9475 174.6810 53 R 4.7290 8.6552 127.9654 54.7586 31.5862 176.0505 54 F 4.4680 9.2071 126.4951 56.5199 40.4493 176.2879 55 D 4.2954 8.5191 117.8937 57.5524 40.6423 176.3501 56 D 4.5783 8.2668 116.5451 53.9265 41.1340 176.8034 57 Q 3.8199 8.3749 115.0227 56.7198 27.3324 173.7540 58 S 4.4757 7.6615 114.2109 58.4579 64.2572 172.9045 59 E 5.7011 8.6334 122.2954 53.9553 31.6931 175.2306 60 Q 4.5357 8.2959 124.1910 54.1637 33.3338 173.6311 61 W 5.0818 8.9098 125.3416 56.2803 29.8863 175.2693 62 C 5.0215 9.3388 123.6666 57.6856 30.5278 174.2635 63 E 4.7026 8.8371 122.2287 55.4221 29.5681 176.3365 64 P 4.4529 0.0000 0.0000 65.4049 31.5500 178.1838 65 D 4.5755 8.1461 117.8735 55.6742 39.8281 177.3514 66 K 4.2577 8.4237 119.1270 57.5216 32.5936 175.9565 67 L 5.2071 7.4005 118.2985 53.3284 43.2038 176.3976 68 R 4.9048 8.9480 121.7866 54.1923 33.9257 175.2698 69 K 4.5277 8.8029 122.0257 56.4929 32.4633 177.3581 70 L 4.2907 8.7527 123.2131 56.7785 42.5834 177.6826 71 G 4.0861 7.5695 105.5054 44.4963 0.0000 171.4908 72 G 3.9147 8.0367 112.5657 44.0410 0.0000 172.5010 73 G 3.9121 7.9940 109.0665 45.5289 0.0000 173.2024 74 S 4.5857 8.3322 117.7319 58.6263 63.8149 174.5130 75 S 4.0847 7.4531 122.5884 58.9125 63.6589 173.8243 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 7 G 8.35 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 A 8.29 4.37 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 9 M 9.58 3.59 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 10 A 7.46 4.64 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 11 P 0.00 4.46 0.00 2.15 2.23 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 12 P 0.00 4.37 0.00 2.05 2.05 0.00 3.65 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 2.04 2.12 0.00 13 V 7.86 4.47 2.12 0.00 0.00 0.00 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 1.15 0.00 0.00 14 A 8.49 4.68 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 15 A 7.57 4.74 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 16 P 0.00 4.46 0.00 2.07 2.07 0.00 3.70 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 2.04 2.12 0.00 17 S 8.47 4.29 0.00 3.88 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 18 P 0.00 4.42 0.00 2.13 2.06 0.00 3.84 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 19 A 8.27 4.69 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 20 V 7.99 4.50 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.12 0.00 0.00 21 T 7.54 5.47 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 1.18 0.00 0.00 22 Y 8.43 4.65 0.00 2.55 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 8.31 4.80 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 24 L 8.19 4.22 0.00 1.74 1.61 1.03 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 9.08 3.68 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 26 E 7.41 4.71 0.00 2.25 1.91 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 2.23 2.30 0.00 27 D 8.56 5.11 0.00 2.48 2.38 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 28 V 8.71 4.57 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 0.86 0.00 0.00 0.67 0.00 0.00 29 F 8.76 5.08 0.00 3.06 3.09 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 30 I 9.48 5.87 2.42 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.30 1.17 0.00 0.00 31 K 8.53 3.89 0.00 0.79 1.24 0.00 1.58 0.00 0.00 1.51 0.00 0.00 2.74 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.14 0.95 7.81 32 C 8.93 4.54 0.00 3.07 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 33 N 8.76 4.33 0.00 2.69 2.83 0.00 0.00 6.94 8.47 0.00 0.00 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 D 7.95 4.38 0.00 2.67 2.70 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 0.00 35 G 8.26 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 0.00 0.00 0.00 36 R 7.74 4.21 0.00 1.78 1.38 0.00 3.12 0.00 0.00 3.58 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 37 F 8.58 5.34 0.00 2.79 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.63 4.91 0.00 2.96 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 39 L 8.95 4.50 0.00 1.33 1.46 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.96 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 0.00 0.00 0.00 41 T 8.67 5.02 4.12 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 42 I 8.62 4.15 1.85 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.87 1.01 0.00 0.00 43 I 8.55 4.20 1.77 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.84 0.81 0.00 0.00 44 D 7.55 4.96 0.00 2.73 2.29 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 45 Q 8.75 5.08 0.00 1.75 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.62 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 46 T 8.51 4.63 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 0.69 0.00 0.00 47 S 8.44 4.28 0.00 3.84 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 48 D 7.81 4.80 0.00 2.73 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 49 Q 8.15 4.99 0.00 1.97 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 50 Y 9.50 5.14 0.00 2.80 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 51 L 8.65 3.80 0.00 0.27 0.94 -0.18 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.51 4.48 1.14 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.65 0.20 0.00 0.00 53 R 8.66 4.73 0.00 1.69 1.76 0.00 3.17 0.00 0.00 3.10 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 54 F 9.21 4.47 0.00 2.94 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.52 4.30 0.00 2.76 2.82 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 56 D 8.27 4.58 0.00 2.82 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.37 3.82 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.64 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 58 S 7.66 4.48 0.00 3.86 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 59 E 8.63 5.70 0.00 1.74 1.65 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 2.06 2.04 0.00 60 Q 8.30 4.54 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.97 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 61 W 8.91 5.08 0.00 3.24 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 62 C 9.34 5.02 0.00 2.88 2.91 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 63 E 8.84 4.70 0.00 2.20 1.99 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 2.47 2.38 0.00 64 P 0.00 4.45 0.00 2.43 2.72 0.00 3.83 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.16 0.00 65 D 8.15 4.58 0.00 2.87 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 66 K 8.42 4.26 0.00 1.98 2.10 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.60 7.81 67 L 7.40 5.21 0.00 1.46 0.99 0.60 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.95 4.90 0.00 1.76 1.80 0.00 3.46 0.00 0.00 3.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.51 0.00 69 K 8.80 4.53 0.00 1.72 1.77 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.13 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.43 1.52 7.81 70 L 8.75 4.29 0.00 1.64 1.75 0.81 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.57 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 0.00 0.00 0.00 72 G 8.04 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 73 G 7.99 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 74 S 8.33 4.59 0.00 3.84 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 75 S 7.45 4.08 0.00 3.73 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00