NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.8499 8.0544 120.3594 62.6343 32.6357 173.9948 2 V 4.0233 7.9041 123.3905 61.0377 32.8073 173.2051 3 Y 5.0422 8.4104 124.4143 56.5885 41.1334 174.3541 4 T 4.8400 8.3278 112.1725 59.3614 73.2608 172.4464 5 D 5.0196 8.6329 120.9140 54.1297 41.4469 177.6582 6 C 4.5854 8.8314 120.8713 57.2883 40.6398 173.6802 7 T 4.0749 8.3998 114.7124 62.0142 69.7227 174.4744 8 E 4.7161 7.8707 121.5859 53.8197 32.7989 174.9592 9 S 4.6468 8.3568 119.4584 59.3460 64.0263 173.3036 10 G 4.2409 8.8568 110.7069 45.6455 0.0000 174.2738 11 Q 4.7690 7.3131 117.8971 56.4770 29.1191 176.5116 12 N 4.6827 8.9929 124.3958 53.4765 38.3454 175.4581 13 L 5.4779 7.8001 122.7772 53.1391 40.1961 173.3752 14 C 5.0984 7.6042 115.5107 53.3536 45.4831 175.4267 15 L 4.1002 8.9475 119.8126 54.8144 39.7159 177.0529 16 C 4.4347 8.8567 122.2532 57.7322 44.6581 174.7565 17 E 4.2768 7.7017 123.3271 53.8293 28.7098 177.4269 18 G 4.0245 8.0617 112.4156 45.3364 0.0000 172.7548 19 S 4.6566 8.3074 113.2881 58.8268 63.2700 174.1617 20 N 4.9984 7.7782 118.1293 50.9550 41.3956 175.3887 21 V 3.6079 8.3535 123.6373 62.5632 32.0661 176.2589 22 C 4.6353 9.4834 124.5897 54.8024 43.4765 173.6052 23 G 4.2174 8.4231 114.2595 45.5147 0.0000 171.7488 24 Q 4.3489 8.4392 118.9411 57.2760 29.2603 177.4285 25 G 4.5009 9.2638 109.6572 44.9842 0.0000 172.2703 26 N 5.6378 7.7661 115.5259 51.0116 42.8558 173.4558 27 K 4.8153 9.2869 120.9862 55.1531 35.8373 174.2647 28 C 4.7239 9.1145 125.8331 56.0980 46.0114 172.4842 29 I 4.2142 8.5601 129.0679 59.6098 37.7038 175.2584 30 L 4.2717 8.4732 128.1712 54.5611 41.8292 177.8025 31 G 3.7268 8.4926 112.3126 46.3866 0.0000 174.8757 32 S 4.6067 8.3107 119.5589 57.6940 64.5580 172.7508 33 D 4.4835 8.8525 123.2522 56.7957 40.6841 176.1783 34 G 4.0806 8.8223 112.5857 46.4431 0.0000 172.4201 35 E 4.7646 7.8348 116.6574 53.8286 32.5947 176.0771 36 K 4.4191 8.3131 120.7055 55.6522 33.2642 176.7500 37 N 4.8441 8.6895 121.1570 53.7845 39.6950 174.9742 38 Q 4.2513 8.9487 120.5285 55.0814 31.7012 173.3571 39 C 4.9378 8.6408 125.2753 56.2084 41.6712 173.2186 40 V 4.4997 8.8141 120.7386 59.7643 34.0533 175.4186 41 T 4.6027 8.5916 112.3359 60.4868 69.8396 174.4287 42 G 4.3374 7.7453 114.1723 44.6260 0.0000 171.9582 43 E 4.3409 8.0294 119.7346 56.3047 30.8862 176.2371 44 G 4.8718 8.0912 107.4635 46.0345 0.0000 172.6436 45 T 4.3327 8.4455 118.7913 62.3303 69.5352 172.9829 46 P 4.7325 0.0000 0.0000 62.1491 32.5027 176.1064 47 K 4.2412 8.4490 121.3259 55.4214 32.7680 174.8025 48 P 4.5677 0.0000 0.0000 61.8586 32.6202 174.2075 49 Q 5.2516 9.1411 117.6471 55.1880 30.2086 172.3029 50 S 4.8726 7.1909 119.4610 59.3412 61.8711 170.7707 51 H 4.8439 7.8000 120.2478 54.8022 31.8176 170.0876 52 N 4.3686 8.8552 123.9789 57.4550 35.8542 174.3457 53 D 5.0150 9.5782 119.5535 54.5398 39.7881 175.6431 54 G 4.2518 8.2148 106.0646 45.1659 0.0000 173.3929 55 D 4.5818 7.5060 118.5135 51.8027 39.8296 172.7748 56 F 4.4152 8.0579 122.9733 56.1004 39.9692 175.5323 57 E 3.9268 8.8422 126.5489 56.1937 29.8137 176.4714 58 E 4.0095 8.8095 124.0536 57.0954 29.7984 176.7645 59 I 4.3272 8.1166 124.5036 58.7528 38.9541 172.7270 60 P 4.1103 0.0000 0.0000 63.5929 29.8283 179.4617 61 E 2.9314 6.9162 118.7321 55.7483 31.4705 176.0780 62 E 4.6921 7.5053 128.9351 55.8962 29.5579 174.2448 63 Y 4.8185 7.5089 125.7367 58.9652 47.7497 176.7164 64 L 4.3879 7.8397 119.0212 55.3222 42.3499 177.0338 65 Q 4.2884 8.2916 118.5636 57.2265 29.2066 173.0171 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 3.85 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.77 0.00 0.00 2 V 7.90 4.02 2.05 0.00 0.00 0.00 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 0.93 0.00 0.00 3 Y 8.41 5.04 0.00 2.77 2.78 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 4 T 8.33 4.84 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 1.24 0.00 0.00 5 D 8.63 5.02 0.00 2.58 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 8.83 4.59 0.00 2.97 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 8.40 4.07 4.25 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 1.27 0.00 0.00 8 E 7.87 4.72 0.00 2.02 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 2.26 2.35 0.00 9 S 8.36 4.65 0.00 3.90 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 10 G 8.86 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 0.00 0.00 0.00 0.00 11 Q 7.31 4.77 0.00 2.31 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.24 0.00 12 N 8.99 4.68 0.00 2.79 2.71 0.00 0.00 7.32 7.78 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 13 L 7.80 5.48 0.00 1.67 1.81 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 14 C 7.60 5.10 0.00 3.14 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 8.95 4.10 0.00 1.55 1.67 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 16 C 8.86 4.43 0.00 2.87 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 17 E 7.70 4.28 0.00 1.97 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 2.26 2.28 0.00 18 G 8.06 4.02 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 0.00 0.00 0.00 19 S 8.31 4.66 0.00 3.86 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 20 N 7.78 5.00 0.00 2.55 2.64 0.00 0.00 6.70 7.68 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 21 V 8.35 3.61 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 0.31 0.00 0.00 0.40 0.00 0.00 22 C 9.48 4.64 0.00 2.92 3.07 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 0.00 0.00 0.00 0.00 23 G 8.42 4.22 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 0.00 24 Q 8.44 4.35 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.54 0.00 0.00 0.00 0.00 0.00 2.49 2.39 0.00 25 G 9.26 4.50 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 0.00 0.00 0.00 26 N 7.77 5.64 0.00 2.99 2.66 0.00 0.00 6.44 7.39 0.00 0.00 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 9.29 4.82 0.00 1.74 1.88 0.00 1.30 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.45 7.81 28 C 9.11 4.72 0.00 3.03 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 29 I 8.56 4.21 2.07 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 1.23 0.47 0.91 0.00 0.00 30 L 8.47 4.27 0.00 1.53 1.63 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.49 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 32 S 8.31 4.61 0.00 3.90 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 8.85 4.48 0.00 2.66 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.82 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 35 E 7.83 4.76 0.00 1.96 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 2.22 2.23 0.00 36 K 8.31 4.42 0.00 1.64 1.72 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.46 7.81 37 N 8.69 4.84 0.00 2.60 2.81 0.00 0.00 6.74 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 8.95 4.25 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.00 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 39 C 8.64 4.94 0.00 3.10 3.24 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 40 V 8.81 4.50 2.08 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 0.78 0.00 0.00 1.00 0.00 0.00 41 T 8.59 4.60 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 1.31 0.00 0.00 42 G 7.75 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 43 E 8.03 4.34 0.00 1.99 1.87 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 2.40 2.38 0.00 44 G 8.09 4.87 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 45 T 8.45 4.33 4.25 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 1.22 0.00 0.00 46 P 0.00 4.73 0.00 1.95 2.02 0.00 3.69 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 2.34 0.00 47 K 8.45 4.24 0.00 1.78 1.80 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.65 1.41 7.81 48 P 0.00 4.57 0.00 2.19 2.09 0.00 3.83 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 49 Q 9.14 5.25 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.79 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 50 S 7.19 4.87 0.00 3.94 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 0.00 51 H 7.80 4.84 0.00 3.22 3.21 0.00 5.73 0.00 0.00 0.00 0.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.86 4.37 0.00 2.91 3.10 0.00 0.00 7.12 8.06 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 53 D 9.58 5.01 0.00 3.05 3.63 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 54 G 8.21 4.25 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 0.00 55 D 7.51 4.58 0.00 2.64 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.06 4.42 0.00 3.13 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 57 E 8.84 3.93 0.00 1.94 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 2.34 2.39 0.00 58 E 8.81 4.01 0.00 2.01 1.94 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 2.34 2.44 0.00 59 I 8.12 4.33 1.89 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.52 0.97 0.00 0.00 60 P 0.00 4.11 0.00 2.53 2.22 0.00 3.82 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.32 0.00 61 E 6.92 2.93 0.00 2.10 2.01 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 2.37 2.41 0.00 62 E 7.51 4.69 0.00 1.83 1.75 0.00 0.00 0.00 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 2.28 0.00 63 Y 7.51 4.82 0.00 2.84 2.80 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 0.00 0.00 0.00 64 L 7.84 4.39 0.00 1.82 1.87 0.99 0.73 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 65 Q 8.29 4.29 0.00 2.22 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.68 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00