NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.7084 8.3249 119.4722 57.3932 40.3965 173.8690 2 E 4.5267 8.4990 121.7661 53.4701 32.3125 174.7092 3 N 4.5574 9.4545 121.4962 53.7964 39.0638 174.0632 4 R 4.6018 8.3276 124.5373 56.1209 30.9481 178.9488 5 V 3.6049 8.4401 120.9775 66.1357 31.3549 177.5327 6 A 4.3218 8.0685 121.2855 54.7730 18.0684 179.3799 7 E 3.9569 8.0162 116.8552 59.5256 29.5623 179.7532 8 K 4.1682 8.0668 118.0915 59.2937 32.2245 179.3147 9 Q 4.0798 8.6297 119.0318 58.7672 28.4390 178.6127 10 K 3.9885 7.7854 119.2665 59.4394 32.4446 178.1162 11 L 3.9530 7.9116 120.3755 58.2569 41.8539 178.6105 12 F 4.3092 8.4131 114.8266 58.7997 39.1204 176.5828 13 Q 4.4962 7.7063 116.3944 54.2577 29.3987 175.2801 14 E 3.7833 7.3472 121.6379 56.8158 29.8767 176.7484 15 D 4.6223 8.5054 126.2793 53.3151 39.7612 174.6619 16 N 4.8535 8.0724 118.1383 51.3353 38.4236 176.3243 17 G 3.9349 8.3255 105.9981 45.8690 0.0000 174.0942 18 L 4.1843 7.9956 120.5525 53.4024 42.4353 175.3652 19 P 4.5266 0.0000 0.0000 62.1480 32.2457 177.7002 20 V 3.6956 8.4420 119.5413 65.0822 31.3190 177.6449 21 H 4.4920 8.2780 113.9044 56.9416 28.6111 175.3903 22 L 4.6658 7.9939 119.0963 54.2876 42.9886 177.5096 23 K 4.1797 7.9298 119.3466 57.4553 32.2798 177.5613 24 G 3.6848 9.3986 107.1382 46.8454 0.0000 173.3994 25 G 3.6520 7.3531 106.1726 44.5266 0.0000 174.1992 26 A 3.9983 8.7309 120.6501 55.4917 18.2949 180.1334 27 T 3.8795 7.9344 113.9546 66.9712 68.4790 176.2876 28 D 4.4239 7.9645 120.8755 57.4480 40.7406 178.6871 29 N 4.4555 8.0320 116.6207 56.2175 38.5001 177.5963 30 I 3.7069 7.7103 120.7061 64.3126 37.3633 177.7828 31 L 3.9494 8.1751 121.4156 58.5044 41.7794 178.3769 32 Y 4.1429 8.3079 119.2831 61.0308 38.7675 178.4525 33 R 3.5971 8.5027 119.3211 58.7641 30.1216 179.1014 34 V 3.5264 8.1315 118.6624 66.3013 31.4717 178.2197 35 T 3.7638 7.8707 115.2494 66.9473 68.2646 176.4000 36 M 3.8802 7.9242 120.3566 58.7754 32.1248 178.4558 37 T 3.8143 7.9394 115.9820 66.4717 68.6120 176.5921 38 L 3.9608 8.2734 121.2914 58.2131 41.6558 179.5853 39 C 4.1534 8.2051 116.4419 62.8061 28.0755 176.2412 40 L 4.1196 8.3293 121.1391 57.5003 41.1642 179.7516 41 G 3.6234 8.6312 106.2593 47.7691 0.0000 175.6018 42 G 4.0324 8.1886 109.2873 48.1274 0.0000 175.7573 43 T 4.1599 8.0494 119.6505 65.5810 68.3155 176.9822 44 L 4.0929 8.0215 121.1714 57.7619 41.6566 178.6475 45 Y 4.4814 8.8832 120.2730 60.9174 38.2570 178.4215 46 S 4.0061 8.6770 115.5130 61.4488 62.9020 176.5085 47 L 4.0423 8.0038 122.5914 57.5272 41.3076 178.7051 48 Y 4.1587 8.3994 119.7344 61.0867 38.6990 177.9323 49 C 3.8418 8.3312 117.8916 62.6428 28.2041 175.7807 50 L 4.0281 8.3973 122.2739 58.3868 41.4585 179.3911 51 G 3.7328 8.1021 104.2106 47.3722 0.0000 175.2531 52 W 4.0907 8.1709 130.4451 60.3920 30.6481 178.0390 53 A 4.0496 8.3437 118.8906 54.4987 17.9194 179.2791 54 S 3.9740 7.9845 112.8840 59.3405 63.2244 174.2420 55 F 4.7010 6.7338 119.2269 54.2522 41.4162 173.5234 56 P 4.2181 0.0000 0.0000 63.2410 32.1050 176.6441 57 H 4.5297 7.9411 118.0906 57.3120 28.1462 174.5902 58 K 5.0271 7.1327 121.4725 55.9098 31.4189 175.1966 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 F 8.32 4.71 0.00 2.93 3.12 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 0.00 2 E 8.50 4.53 0.00 2.03 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 3 N 9.45 4.56 0.00 2.71 2.79 0.00 0.00 6.95 7.65 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 4 R 8.33 4.60 0.00 1.92 1.93 0.00 3.54 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.58 0.00 5 V 8.44 3.60 2.17 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 1.02 0.00 0.00 0.98 0.00 0.00 6 A 8.07 4.32 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.02 3.96 0.00 2.15 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 2.34 2.37 0.00 8 K 8.07 4.17 0.00 2.03 2.09 0.00 1.98 0.00 0.00 1.95 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.61 1.57 7.81 9 Q 8.63 4.08 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 10 K 7.79 3.99 0.00 1.87 2.01 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.45 7.81 11 L 7.91 3.95 0.00 1.67 1.63 0.67 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.41 4.31 0.00 3.15 3.12 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 0.00 13 Q 7.71 4.50 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 14 E 7.35 3.78 0.00 2.03 1.82 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 2.29 2.24 0.00 15 D 8.51 4.62 0.00 2.67 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 16 N 8.07 4.85 0.00 2.76 2.79 0.00 0.00 6.34 7.00 0.00 0.00 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 G 8.33 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 0.00 0.00 0.00 18 L 8.00 4.18 0.00 1.72 1.57 0.92 0.82 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 19 P 0.00 4.53 0.00 2.25 2.18 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.85 0.00 20 V 8.44 3.70 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 0.84 0.00 0.00 0.93 0.00 0.00 21 H 8.28 4.49 0.00 3.31 3.45 0.00 5.46 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 22 L 7.99 4.67 0.00 1.51 1.56 0.69 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.93 4.18 0.00 1.95 2.13 0.00 2.01 0.00 0.00 2.02 0.00 0.00 2.89 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.30 1.34 7.81 24 G 9.40 3.68 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 0.00 0.00 0.00 25 G 7.35 3.65 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 0.00 0.00 0.00 26 A 8.73 4.00 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 27 T 7.93 3.88 4.28 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 1.24 0.00 0.00 28 D 7.96 4.42 0.00 2.82 2.94 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 29 N 8.03 4.46 0.00 2.97 2.93 0.00 0.00 6.98 6.91 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 30 I 7.71 3.71 2.05 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 1.55 0.85 0.93 0.00 0.00 31 L 8.18 3.95 0.00 1.97 1.76 0.94 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.31 4.14 0.00 3.21 3.31 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 0.00 33 R 8.50 3.60 0.00 1.88 1.92 0.00 3.34 0.00 0.00 3.40 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 34 V 8.13 3.53 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 0.93 0.00 0.00 0.94 0.00 0.00 35 T 7.87 3.76 4.29 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 1.19 0.00 0.00 36 M 7.92 3.88 0.00 1.73 1.43 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 2.47 2.42 0.00 37 T 7.94 3.81 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 1.17 0.00 0.00 38 L 8.27 3.96 0.00 1.80 1.71 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.21 4.15 0.00 3.07 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 40 L 8.33 4.12 0.00 1.72 1.71 0.91 0.91 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 41 G 8.63 3.62 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 0.00 0.00 0.00 42 G 8.19 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 0.00 0.00 0.00 43 T 8.05 4.16 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 1.24 0.00 0.00 44 L 8.02 4.09 0.00 1.93 1.79 0.94 0.83 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 45 Y 8.88 4.48 0.00 3.00 3.26 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 46 S 8.68 4.01 0.00 4.01 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 47 L 8.00 4.04 0.00 1.98 1.82 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.40 4.16 0.00 3.20 3.33 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 49 C 8.33 3.84 0.00 2.93 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 50 L 8.40 4.03 0.00 1.83 1.86 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.10 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.17 4.09 0.00 3.00 3.25 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 53 A 8.34 4.05 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.98 3.97 0.00 3.85 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 F 6.73 4.70 0.00 2.75 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 56 P 0.00 4.22 0.00 2.09 1.96 0.00 3.80 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 57 H 7.94 4.53 0.00 3.04 3.28 0.00 5.90 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 58 K 7.13 5.03 0.00 1.80 1.96 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.39 7.81