NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2995 8.3049 120.3409 54.5405 34.2037 175.0993 2 E 4.3497 7.8985 118.1529 52.9228 30.9222 173.2308 3 P 4.1656 0.0000 0.0000 63.0001 32.6963 175.4688 4 V 4.2332 7.9975 122.5000 60.2788 33.8125 174.3330 5 D 4.3197 8.5756 126.1047 54.1578 41.2031 175.3089 6 P 4.3675 0.0000 0.0000 65.2343 31.6502 178.1365 7 R 4.0153 7.9197 116.6371 58.4795 30.1504 177.3043 8 L 4.0809 7.3007 118.1012 54.1372 42.3223 176.9229 9 E 3.7508 8.0873 121.6859 55.2490 30.2459 176.1920 10 P 3.9231 0.0000 0.0000 65.5146 31.4374 178.8340 11 W 4.2546 7.6320 112.6150 58.6631 28.3454 176.7138 12 K 4.3060 7.2231 117.7387 56.5082 31.5306 175.8892 13 H 4.6962 7.5736 117.9750 53.5903 29.6046 173.7235 14 P 4.3883 0.0000 0.0000 62.4519 31.6936 176.4275 15 G 3.7879 8.3735 109.2749 45.4297 0.0000 174.1196 16 S 4.1363 8.7995 117.1622 60.8339 63.4122 174.5458 17 Q 3.7238 7.9652 120.6932 54.8494 28.8871 174.9555 18 P 4.3966 0.0000 0.0000 62.3317 32.1977 176.1713 19 K 3.9704 8.8690 121.8325 59.2960 32.1247 177.0109 20 T 4.6104 7.5361 105.5236 59.0880 71.1572 173.7414 21 A 4.1892 8.2784 125.2360 52.4247 19.0629 176.8756 22 C 4.3440 8.4144 117.9029 59.1412 28.9526 174.4593 23 T 4.3426 8.1552 114.9416 60.8618 69.9749 173.8919 24 N 4.7143 8.3524 118.1189 53.3667 39.4603 174.2558 25 C 4.3158 7.6282 117.5950 60.3695 32.0485 171.9838 26 Y 4.5077 8.4705 125.0312 56.5460 39.0952 174.9150 27 C 4.9854 8.6333 117.8620 57.7132 31.4563 175.0576 28 K 4.4010 8.7313 123.4284 59.5385 32.4707 177.2740 29 K 4.3623 8.1418 117.5248 58.6575 32.6877 178.3812 30 C 4.3338 8.0352 114.6561 61.9108 28.6051 174.2602 31 C 4.2646 8.8408 117.3475 60.9968 28.0571 174.6669 32 F 4.5598 7.6894 118.2593 57.3317 38.9620 176.6276 33 H 4.3807 8.4114 120.9480 58.6801 29.8458 175.1628 34 C 4.7815 7.4191 112.9547 56.3471 32.3692 173.4591 35 Q 4.1961 8.5691 117.6519 58.2135 28.6541 178.3227 36 V 3.9223 7.5754 118.5784 66.0656 32.0469 177.3711 37 C 4.1737 7.9043 117.1717 61.7536 27.8645 175.5959 38 F 4.5679 7.7254 122.9261 60.3346 38.9835 177.6038 39 I 3.5597 7.4296 118.3742 64.2701 36.9023 178.4808 40 T 4.6792 7.9727 112.2272 64.7208 68.5138 176.6568 41 K 3.6595 7.7762 122.4836 58.3486 31.7428 179.2161 42 A 3.6611 7.3390 122.4513 54.8308 18.5757 178.2901 43 L 4.1957 7.1354 112.7328 53.6816 42.5833 176.4962 44 G 4.4352 7.1583 106.6300 47.7423 0.0000 173.7843 45 I 4.5297 7.5531 118.8520 59.1685 39.8077 175.7780 46 S 4.8126 8.1406 117.7064 56.9432 65.7584 173.6181 47 Y 4.3641 7.8705 120.5050 59.0767 38.7122 175.6920 48 G 3.7371 7.4701 113.0654 45.6321 0.0000 173.1102 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 M 8.30 4.30 0.00 1.95 2.09 0.00 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 2 E 7.90 4.35 0.00 2.02 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 2.19 2.36 0.00 3 P 0.00 4.17 0.00 2.00 1.99 0.00 3.59 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 4 V 8.00 4.23 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 0.57 0.00 0.00 0.89 0.00 0.00 5 D 8.58 4.32 0.00 2.67 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 6 P 0.00 4.37 0.00 2.06 2.08 0.00 3.71 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.17 0.00 7 R 7.92 4.02 0.00 2.05 1.97 0.00 3.14 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 8 L 7.30 4.08 0.00 1.61 1.50 0.85 1.03 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 9 E 8.09 3.75 0.00 1.16 1.12 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 2.07 1.97 0.00 10 P 0.00 3.92 0.00 2.26 2.10 0.00 3.12 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.98 0.00 11 W 7.63 4.25 0.00 3.39 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.22 4.31 0.00 1.55 1.73 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.22 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.04 1.29 7.81 13 H 7.57 4.70 0.00 3.17 3.18 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.39 0.00 2.15 2.04 0.00 3.67 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 1.93 1.92 0.00 15 G 8.37 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 0.00 0.00 0.00 16 S 8.80 4.14 0.00 3.98 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 17 Q 7.97 3.72 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 18 P 0.00 4.40 0.00 2.16 1.94 0.00 3.86 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 19 K 8.87 3.97 0.00 1.78 1.96 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.41 7.81 20 T 7.54 4.61 4.26 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 1.25 0.00 0.00 21 A 8.28 4.19 1.27 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 0.00 0.00 22 C 8.41 4.34 0.00 3.00 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 23 T 8.16 4.34 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 1.16 0.00 0.00 24 N 8.35 4.71 0.00 2.73 2.91 0.00 0.00 6.90 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 25 C 7.63 4.32 0.00 3.06 2.86 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 0.00 0.00 0.00 26 Y 8.47 4.51 0.00 2.90 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 27 C 8.63 4.99 0.00 3.12 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 28 K 8.73 4.40 0.00 1.80 1.91 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.66 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.49 7.81 29 K 8.14 4.36 0.00 1.90 1.87 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.46 7.81 30 C 8.04 4.33 0.00 3.00 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 31 C 8.84 4.26 0.00 3.26 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 32 F 7.69 4.56 0.00 3.07 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 33 H 8.41 4.38 0.00 3.10 3.32 0.00 5.69 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 C 7.42 4.78 0.00 3.04 2.86 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 0.00 0.00 0.00 35 Q 8.57 4.20 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 36 V 7.58 3.92 2.11 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 1.17 0.00 0.00 0.96 0.00 0.00 37 C 7.90 4.17 0.00 3.03 3.05 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 0.00 0.00 0.00 0.00 38 F 7.73 4.57 0.00 3.01 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 39 I 7.43 3.56 1.88 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.72 0.90 0.00 0.00 40 T 7.97 4.68 4.15 0.00 0.00 0.00 0.00 0.00 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 41 K 7.78 3.66 0.00 1.82 1.30 0.00 1.62 0.00 0.00 1.34 0.00 0.00 2.66 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.48 1.10 7.81 42 A 7.34 3.66 0.79 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 0.00 0.00 43 L 7.14 4.20 0.00 1.56 1.55 0.73 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.16 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.55 4.53 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.00 0.91 0.00 0.00 46 S 8.14 4.81 0.00 3.66 3.64 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 47 Y 7.87 4.36 0.00 3.05 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 48 G 7.47 3.74 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 0.00 0.00 0.00