NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9186 8.3549 109.7367 44.3425 0.0000 174.9842 2 P 4.2332 0.0000 0.0000 61.0979 31.8750 173.5726 3 L 3.8102 8.2318 122.9413 53.3134 42.9976 176.1853 4 G 3.4293 8.3240 105.6594 47.6258 0.0000 173.5267 5 S 3.5760 7.9616 117.2064 60.7735 60.8230 172.3500 6 S 3.8514 7.0514 118.7718 61.6299 63.2338 176.3579 7 K 3.9082 7.9999 121.4382 60.0474 32.2355 178.7039 8 M 3.9085 8.0220 117.8464 58.6385 32.1838 177.9322 9 S 4.0584 8.4925 113.7424 61.4506 62.5333 175.9331 10 D 4.3389 8.3805 122.0722 57.2533 40.5460 178.9248 11 V 3.4092 7.8818 118.9308 65.8704 31.4185 178.3326 12 K 3.9052 7.9062 118.2966 59.4846 31.9788 179.0023 13 C 4.1408 8.0240 118.9742 62.7496 31.5075 175.7802 14 T 3.9594 8.1509 117.7193 66.3742 67.8988 176.8570 15 S 4.1574 7.9471 116.5909 61.2851 63.2081 176.7348 16 V 3.6655 7.6547 121.5813 65.8645 31.2896 178.2688 17 V 3.6719 7.7976 117.7411 65.5820 31.2633 177.9001 18 L 3.9558 7.9371 120.3933 58.0477 41.9479 178.5990 19 L 4.0034 8.1255 120.3938 58.2994 41.9281 179.1952 20 S 4.1932 8.0569 114.6703 61.6510 62.8317 176.7466 21 V 3.6304 7.9984 120.9492 65.8880 31.3252 178.0735 22 L 4.0453 8.2245 118.7899 57.9021 41.5347 179.1935 23 Q 3.6242 8.6217 119.8546 59.2436 28.7640 178.0106 24 Q 3.9990 8.5117 119.6114 58.9352 28.9943 177.4315 25 L 4.4016 7.5735 117.6021 53.8939 41.9994 176.7119 26 R 3.7734 8.4928 117.4183 57.1871 28.1132 178.6920 27 V 3.7074 7.4934 119.3446 65.3873 31.6737 177.4902 28 E 3.3371 7.5680 119.4722 58.2669 29.3773 177.6000 29 S 4.1451 7.8287 112.3456 60.0352 63.4279 174.3457 30 S 4.6041 7.9479 117.4624 55.6400 61.9622 173.7521 31 S 4.3393 8.6205 122.2416 61.3680 62.4252 176.7179 32 K 3.9908 8.0225 121.2812 59.0775 31.8467 179.0056 33 L 3.9912 7.8943 120.1560 57.9458 42.1408 178.5630 34 W 4.2658 8.8620 128.5681 60.4076 30.5738 177.8367 35 A 3.8057 8.1674 120.9940 54.9860 17.7348 179.4144 36 Q 3.8465 7.8336 118.2930 59.3282 29.0664 178.1062 37 C 3.9438 8.1192 118.0318 62.8749 28.1094 176.3130 38 V 3.1581 7.1797 119.6963 65.6298 30.9675 177.8617 39 Q 3.8380 7.8784 119.2810 59.0849 28.9760 178.0029 40 L 3.8854 7.9174 120.1270 58.1369 41.7093 178.9552 41 H 4.0236 8.2061 117.9135 59.4676 29.6383 176.9420 42 N 4.2569 8.4492 118.4752 56.5361 38.1774 177.2431 43 D 4.3757 8.3617 119.2203 57.0353 40.9884 178.5962 44 I 3.8563 7.6255 120.8122 64.1436 36.9536 178.2201 45 L 4.0555 7.7630 118.4399 56.4877 41.4977 177.7306 46 L 4.4843 7.1897 116.2668 53.7745 42.8370 176.5702 47 A 4.3189 7.1785 121.2513 51.9137 18.8061 177.2045 48 K 4.2467 8.9264 121.5434 57.3525 33.8410 176.8961 49 D 4.8980 7.7866 116.7781 52.8634 44.1722 176.9113 50 T 3.9272 8.3554 119.0999 65.3405 67.4520 176.9382 51 T 4.0360 9.9433 118.5192 66.5405 68.5479 176.2978 52 E 3.9319 8.2196 120.5855 59.0451 29.6967 178.4052 53 A 4.0024 7.8519 120.4404 55.4195 18.4738 179.6567 54 F 4.1423 8.1186 116.1079 60.6111 38.9953 177.8736 55 E 4.0007 8.3454 118.2645 59.4583 29.3090 179.4563 56 K 3.9584 7.9475 118.2674 59.7767 32.0379 179.0738 57 M 4.1276 8.2268 118.3663 58.4474 32.1511 178.5300 58 V 3.6295 7.7901 118.6864 65.9133 31.4918 178.2086 59 S 4.0822 7.6807 113.2380 61.6445 62.9301 176.0299 60 L 4.0681 8.2902 123.3791 58.1775 41.7797 178.8206 61 L 4.0032 8.4165 120.9462 58.0140 42.0764 178.9594 62 S 4.1825 8.0886 113.9974 61.2330 62.4196 176.8875 63 V 3.5899 7.3204 121.6230 65.7550 31.6528 177.4165 64 L 4.1291 7.8502 119.5968 58.3058 41.8691 178.8167 65 L 4.0879 7.8936 117.8220 57.6611 41.5590 179.3707 66 S 4.2917 8.0357 113.6426 60.9810 64.0667 175.3679 67 M 4.3825 7.7800 123.3801 53.8691 29.8566 175.6401 68 Q 4.0046 7.7157 119.4116 58.0963 30.4414 175.1432 69 G 4.3419 9.1603 119.9072 46.1388 0.0000 174.9332 70 A 4.2768 7.2310 119.1731 52.6212 18.3687 177.3176 71 V 4.0484 7.4831 113.9413 64.5077 33.5270 174.9689 72 D 4.3522 8.0394 118.1122 54.8663 38.4305 173.8546 73 I 3.5849 7.6355 120.9234 63.6138 38.2931 177.9647 74 N 4.4270 7.9241 118.3307 56.0226 37.3070 177.3465 75 R 4.2371 8.1822 114.9307 56.2255 29.7328 175.8843 76 L 4.2928 7.9529 124.2020 55.3585 42.4035 175.7030 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 G 8.35 3.92 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 0.00 0.00 0.00 2 P 0.00 4.23 0.00 2.13 2.00 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 3 L 8.23 3.81 0.00 1.58 1.47 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 4 G 8.32 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.96 3.58 0.00 3.94 3.77 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 6 S 7.05 3.85 0.00 3.92 3.83 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 7 K 8.00 3.91 0.00 1.87 1.88 0.00 1.92 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.68 1.59 7.81 8 M 8.02 3.91 0.00 2.26 2.03 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.63 0.00 9 S 8.49 4.06 0.00 3.94 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 10 D 8.38 4.34 0.00 2.87 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 11 V 7.88 3.41 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 0.49 0.00 0.00 0.46 0.00 0.00 12 K 7.91 3.91 0.00 1.80 1.77 0.00 1.66 0.00 0.00 1.51 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.58 7.81 13 C 8.02 4.14 0.00 3.09 2.90 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 14 T 8.15 3.96 4.34 0.00 0.00 0.00 0.00 0.00 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 15 S 7.95 4.16 0.00 4.03 4.17 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.65 3.67 2.25 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 1.03 0.00 0.00 1.05 0.00 0.00 17 V 7.80 3.67 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 0.94 0.00 0.00 18 L 7.94 3.96 0.00 1.94 1.92 0.95 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.13 4.00 0.00 1.93 1.64 0.68 0.51 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 20 S 8.06 4.19 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 21 V 8.00 3.63 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 1.06 0.00 0.00 1.00 0.00 0.00 22 L 8.22 4.05 0.00 2.16 2.05 0.99 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 8.62 3.62 0.00 2.29 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.76 0.00 0.00 0.00 0.00 0.00 2.15 2.04 0.00 24 Q 8.51 4.00 0.00 2.14 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.04 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 25 L 7.57 4.40 0.00 1.85 1.67 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.49 3.77 0.00 1.94 1.93 0.00 3.09 0.00 0.00 3.04 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.49 0.00 27 V 7.49 3.71 2.27 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 1.27 0.00 0.00 1.06 0.00 0.00 28 E 7.57 3.34 0.00 1.16 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.47 0.00 29 S 7.83 4.15 0.00 3.99 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 30 S 7.95 4.60 0.00 3.86 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 31 S 8.62 4.34 0.00 4.15 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 32 K 8.02 3.99 0.00 1.82 1.92 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.56 1.46 7.81 33 L 7.89 3.99 0.00 1.81 1.90 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 34 W 8.86 4.27 0.00 3.61 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 35 A 8.17 3.81 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 36 Q 7.83 3.85 0.00 2.10 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 37 C 8.12 3.94 0.00 2.70 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 38 V 7.18 3.16 1.85 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 0.90 0.00 0.00 -0.03 0.00 0.00 39 Q 7.88 3.84 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.54 0.00 0.00 0.00 0.00 0.00 2.31 2.56 0.00 40 L 7.92 3.89 0.00 1.81 1.66 0.89 1.20 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 41 H 8.21 4.02 0.00 3.08 3.39 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.45 4.26 0.00 2.88 2.81 0.00 0.00 7.10 7.62 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 43 D 8.36 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 44 I 7.63 3.86 1.92 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 1.44 1.49 0.79 0.00 0.00 45 L 7.76 4.06 0.00 1.70 1.66 0.80 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.19 4.48 0.00 1.52 1.64 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.18 4.32 1.25 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 48 K 8.93 4.25 0.00 1.69 1.81 0.00 1.66 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.38 7.81 49 D 7.79 4.90 0.00 2.74 2.50 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 50 T 8.36 3.93 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 1.33 0.00 0.00 51 T 9.94 4.04 4.38 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 1.25 0.00 0.00 52 E 8.22 3.93 0.00 2.03 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 2.35 2.36 0.00 53 A 7.85 4.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.12 4.14 0.00 3.33 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 55 E 8.35 4.00 0.00 2.19 2.02 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 2.37 2.69 0.00 56 K 7.95 3.96 0.00 1.92 1.83 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.57 7.81 57 M 8.23 4.13 0.00 2.33 1.99 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.66 0.00 58 V 7.79 3.63 2.31 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 1.00 0.00 0.00 1.08 0.00 0.00 59 S 7.68 4.08 0.00 4.09 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 60 L 8.29 4.07 0.00 1.69 1.66 0.88 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.42 4.00 0.00 1.88 1.72 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 62 S 8.09 4.18 0.00 4.14 4.23 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 63 V 7.32 3.59 2.25 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 0.87 0.00 0.00 0.99 0.00 0.00 64 L 7.85 4.13 0.00 1.83 1.85 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.89 4.09 0.00 1.68 1.73 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.04 4.29 0.00 4.05 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 67 M 7.78 4.38 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.49 0.00 68 Q 7.72 4.00 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.48 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 69 G 9.16 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.23 4.28 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 71 V 7.48 4.05 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 0.82 0.00 0.00 1.04 0.00 0.00 72 D 8.04 4.35 0.00 2.95 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 73 I 7.64 3.58 1.88 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 1.48 0.93 0.92 0.00 0.00 74 N 7.92 4.43 0.00 2.97 3.07 0.00 0.00 6.43 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 75 R 8.18 4.24 0.00 1.88 2.02 0.00 3.25 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 76 L 7.95 4.29 0.00 1.56 1.44 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00