NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.8238 8.0544 120.3758 62.6335 32.6272 173.8942 2 V 3.9475 7.7255 122.5734 60.6971 32.9317 173.2064 3 Y 4.8748 8.3345 124.5172 56.5764 41.9807 173.5663 4 T 4.8056 8.1990 109.1181 59.6951 72.7039 173.0043 5 D 5.1823 8.4954 121.6138 53.8839 41.8872 176.8356 6 C 4.6359 8.6032 117.3766 56.7902 41.1314 174.2201 7 T 4.1026 8.0191 112.6222 62.1020 69.4985 174.4781 8 E 4.7549 7.8141 117.8629 54.0338 32.8079 175.2900 9 S 4.4430 8.3951 115.5773 59.7061 63.7362 174.4564 10 G 3.8729 9.0362 110.2218 46.3813 0.0000 173.0894 11 Q 5.0134 7.8181 117.7188 53.6744 30.7497 174.5573 12 N 5.0924 8.6317 118.2481 51.4476 40.1507 173.7656 13 L 3.3439 8.6599 115.4083 55.4474 39.4471 172.3816 14 C 5.0677 7.4973 110.1989 53.5544 44.4343 173.1006 15 L 4.5773 8.6455 122.1266 55.3170 41.5776 175.8783 16 C 4.7023 8.4247 122.4578 57.9584 48.4346 175.0928 17 E 4.2422 7.9965 125.2515 55.7831 28.7049 177.8029 18 G 3.6131 8.0285 116.8745 46.8515 0.0000 172.5111 19 S 4.3727 8.7299 118.6696 58.7936 62.7362 173.0946 20 N 4.6950 8.2379 118.5655 52.9405 39.4964 174.8277 21 V 3.8713 8.1496 124.2795 62.8111 32.7039 176.9904 22 C 4.4746 9.4625 128.5055 55.5913 41.6986 173.0718 23 G 4.1589 8.4957 114.1025 44.9569 0.0000 170.6580 24 Q 4.1543 8.3671 118.9289 57.4278 29.3011 177.9932 25 G 3.9812 8.9722 108.5401 45.5357 0.0000 172.4134 26 N 5.5996 8.0075 116.8788 51.1934 42.5791 173.5666 27 K 4.8231 9.1209 119.6623 55.4894 36.9430 173.9190 28 C 5.0897 9.1662 122.1101 55.2456 45.0078 172.4034 29 I 4.5399 8.7740 128.0385 59.7747 38.0842 175.2875 30 L 4.3621 8.5682 128.8055 54.3453 41.8614 177.8525 31 G 4.0819 8.7592 110.7362 45.5841 0.0000 172.9255 32 S 4.9503 9.7780 116.7354 55.9287 63.9551 173.8672 33 D 5.2197 9.1406 128.9765 54.0889 40.3748 178.8443 34 G 4.0107 8.1428 108.6726 46.8984 0.0000 174.7597 35 E 4.0923 7.8298 119.3601 56.4958 30.0086 176.3582 36 K 4.6124 8.0942 120.3802 54.8172 34.4190 176.1915 37 N 4.6376 8.6954 119.3062 53.9236 39.1795 174.7621 38 Q 4.4677 8.9436 122.0313 54.4669 31.3792 173.5805 39 C 5.1306 8.8320 125.1371 55.5194 42.5182 172.9567 40 V 4.6992 8.6419 119.2324 59.3294 35.4566 175.3900 41 T 4.4718 8.0603 117.4201 62.5888 68.2178 174.6610 42 G 4.3031 8.1750 119.9683 44.9968 0.0000 174.6812 43 E 4.7543 8.6401 115.1421 56.1435 33.9614 175.2244 44 G 4.1306 8.8755 107.9595 45.7477 0.0000 173.2493 45 T 4.4416 8.5521 117.7361 62.4288 69.7517 172.7062 46 P 4.8998 0.0000 0.0000 61.5023 32.4323 175.7990 47 K 4.0646 8.1807 124.9547 56.1526 32.3724 174.9152 48 P 4.4607 0.0000 0.0000 62.2340 32.2910 176.3560 49 Q 4.1207 8.4477 118.7198 55.6698 27.8814 172.9382 50 S 3.7307 8.4111 125.3754 57.9145 63.0205 172.0736 51 H 4.5337 8.7128 121.1562 56.3982 29.6268 174.7683 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 V 8.05 3.82 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 0.47 0.00 0.00 0.84 0.00 0.00 2 V 7.73 3.95 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 0.83 0.00 0.00 0.88 0.00 0.00 3 Y 8.33 4.87 0.00 2.84 2.89 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 4 T 8.20 4.81 4.27 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 1.23 0.00 0.00 5 D 8.50 5.18 0.00 2.60 2.68 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 6 C 8.60 4.64 0.00 2.95 3.13 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 7 T 8.02 4.10 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 1.22 0.00 0.00 8 E 7.81 4.75 0.00 2.01 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 2.18 2.32 0.00 9 S 8.40 4.44 0.00 3.88 3.82 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 10 G 9.04 3.87 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 0.00 0.00 0.00 11 Q 7.82 5.01 0.00 2.25 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.17 6.58 0.00 0.00 0.00 0.00 0.00 2.51 2.39 0.00 12 N 8.63 5.09 0.00 3.05 3.04 0.00 0.00 7.05 6.50 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 13 L 8.66 3.34 0.00 1.82 1.84 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 14 C 7.50 5.07 0.00 3.27 3.13 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 15 L 8.65 4.58 0.00 1.92 1.87 1.02 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 16 C 8.42 4.70 0.00 2.87 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 17 E 8.00 4.24 0.00 2.05 1.88 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 2.37 2.29 0.00 18 G 8.03 3.61 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 0.00 0.00 0.00 19 S 8.73 4.37 0.00 3.87 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 20 N 8.24 4.70 0.00 2.79 2.69 0.00 0.00 6.90 7.21 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 21 V 8.15 3.87 1.73 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 0.29 0.00 0.00 0.09 0.00 0.00 22 C 9.46 4.47 0.00 2.96 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 23 G 8.50 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 24 Q 8.37 4.15 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.72 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 25 G 8.97 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.01 5.60 0.00 2.72 2.78 0.00 0.00 6.38 7.56 0.00 0.00 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 K 9.12 4.82 0.00 1.69 1.83 0.00 1.36 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.44 7.81 28 C 9.17 5.09 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 29 I 8.77 4.54 2.04 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 1.22 0.47 0.90 0.00 0.00 30 L 8.57 4.36 0.00 1.51 1.61 1.02 0.79 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 31 G 8.76 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 32 S 9.78 4.95 0.00 3.80 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.14 5.22 0.00 2.93 2.98 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 0.00 0.00 0.00 34 G 8.14 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 35 E 7.83 4.09 0.00 2.15 1.88 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 2.38 2.43 0.00 36 K 8.09 4.61 0.00 1.63 1.74 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.46 7.81 37 N 8.70 4.64 0.00 2.70 2.77 0.00 0.00 6.68 7.69 0.00 0.00 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 Q 8.94 4.47 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 39 C 8.83 5.13 0.00 2.98 3.01 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 40 V 8.64 4.70 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.92 0.00 0.00 41 T 8.06 4.47 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 1.20 0.00 0.00 42 G 8.17 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 0.00 0.00 0.00 0.00 43 E 8.64 4.75 0.00 1.80 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 0.00 2.13 2.17 0.00 44 G 8.88 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 45 T 8.55 4.44 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 1.21 0.00 0.00 46 P 0.00 4.90 0.00 2.09 2.06 0.00 3.38 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.81 0.00 47 K 8.18 4.06 0.00 1.85 1.82 0.00 1.87 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.57 7.81 48 P 0.00 4.46 0.00 2.24 2.05 0.00 3.82 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 49 Q 8.45 4.12 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.27 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 50 S 8.41 3.73 0.00 4.02 3.87 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 51 H 8.71 4.53 0.00 3.08 3.18 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00