NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1427 8.2549 120.8453 55.0635 31.3655 175.2002 2 P 4.0404 0.0000 0.0000 61.9743 32.1137 175.5544 3 D 4.3419 8.6939 122.6141 57.7031 41.7481 179.0116 4 F 4.3974 7.7676 113.9047 59.5428 37.7687 177.7901 5 C 4.6320 7.5428 116.4872 58.9153 39.9966 174.5930 6 L 4.4328 7.7054 118.7899 53.7857 42.0832 176.4187 7 E 4.3419 7.3426 119.0327 54.8449 30.3415 174.9336 8 P 4.4125 0.0000 0.0000 61.4625 32.2521 174.4931 9 P 3.6578 0.0000 0.0000 62.6145 31.4692 175.3782 10 Y 4.6042 7.7354 121.3571 56.0155 39.9218 175.3515 11 T 4.1645 8.3237 125.5599 65.1632 68.8140 176.0595 12 G 3.5468 6.8038 107.3210 43.8395 0.0000 170.9760 13 P 4.3629 0.0000 0.0000 63.6362 31.7666 176.9516 14 G 3.6483 7.6590 108.6502 45.7524 0.0000 173.9890 15 K 4.2834 8.2245 117.8651 55.8359 32.7911 176.5752 16 A 4.2143 7.6616 122.5253 51.6930 19.9987 177.4915 17 R 4.9143 8.0554 116.8416 54.3530 30.5155 173.6264 18 I 4.2893 8.6637 122.5818 59.5903 39.5748 175.0319 19 I 4.3493 8.3171 128.3680 60.9771 37.5886 175.3426 20 R 4.6955 8.2971 125.7711 54.5050 34.0996 174.2376 21 Y 5.5263 9.3452 117.7287 56.5879 40.8698 175.3741 22 F 5.8369 9.6726 116.9243 55.3595 42.0125 172.8912 23 Y 4.4554 9.9235 122.1381 57.0634 40.0927 173.9517 24 N 4.8003 8.2825 126.6782 52.1840 38.6550 175.3100 25 A 3.7453 8.4759 130.1142 54.6191 19.0412 178.6896 26 K 4.0063 8.1375 116.0463 59.3605 32.4078 177.7356 27 A 4.0390 8.1148 120.5206 52.5700 18.6795 177.7773 28 G 3.8470 7.8279 103.3263 46.0167 0.0000 173.2459 29 L 4.9061 6.9575 116.9868 52.2505 46.4136 175.4972 30 A 4.7028 8.4585 122.4208 51.8504 19.7597 176.7949 31 Q 4.7160 8.6561 119.6261 54.4107 33.7617 174.5208 32 T 5.0151 8.4532 110.9735 61.2076 70.9615 173.4007 33 F 4.9849 8.9241 116.7862 55.9763 42.0506 172.9880 34 V 4.2656 8.4417 119.7247 62.1052 32.1222 174.1522 35 Y 4.8206 8.8754 130.1131 55.9989 40.8236 176.0684 36 G 3.8141 8.1866 112.5149 45.5144 0.0000 175.1886 37 G 3.6296 6.5487 108.0862 44.8223 0.0000 173.2737 38 A 4.5926 6.4404 120.5935 51.4987 22.4056 176.2887 39 R 3.8753 8.9155 118.7104 56.9273 27.3236 176.8609 40 A 4.2745 8.1558 119.0946 52.5889 19.2374 178.1580 41 K 4.3282 8.3460 120.3118 55.2005 33.9486 176.9904 42 R 3.6910 7.9958 117.2508 57.9943 30.6044 177.3775 43 N 4.8119 7.7864 118.2247 51.1517 37.3681 173.8974 44 N 5.0290 6.4420 115.6775 52.9766 41.5682 173.1624 45 F 5.0576 9.5042 124.6203 55.8133 42.8235 176.0566 46 K 4.5287 8.8716 121.0003 57.5357 32.9069 177.4411 47 S 4.2849 7.6478 112.9984 55.3972 67.1272 174.6181 48 A 3.4963 7.3128 124.3888 55.3014 18.0891 179.9501 49 E 3.7749 7.8277 116.5636 59.4962 29.4632 179.0263 50 D 4.1640 8.1595 117.9077 57.0194 41.2759 178.0087 51 A 2.0000 7.3646 120.8547 54.6457 18.2605 179.7006 52 L 3.8129 7.8578 117.5189 57.6345 41.4354 179.5515 53 R 3.7856 7.7540 118.0326 59.8694 30.0648 178.4425 54 T 4.1071 7.6773 114.2018 65.8352 68.6982 175.3746 55 C 4.6438 7.7645 114.8206 56.4251 41.8212 175.4029 56 G 3.2709 7.9126 110.1243 47.7222 0.0000 174.1735 57 G 3.6488 7.7246 112.5311 45.6867 0.0000 173.1754 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 R 8.25 4.14 0.00 1.82 1.84 0.00 3.21 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.51 0.00 2 P 0.00 4.04 0.00 1.06 1.63 0.00 3.35 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 1.86 2.03 0.00 3 D 8.69 4.34 0.00 2.74 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 4 F 7.77 4.40 0.00 3.28 3.30 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 5 C 7.54 4.63 0.00 2.92 3.15 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 0.00 6 L 7.71 4.43 0.00 1.76 1.73 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.34 4.34 0.00 2.22 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 2.40 2.42 0.00 8 P 0.00 4.41 0.00 2.06 1.99 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 9 P 0.00 3.66 0.00 0.52 0.49 0.00 3.23 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.44 0.00 10 Y 7.74 4.60 0.00 2.77 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 11 T 8.32 4.16 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 1.19 0.00 0.00 12 G 6.80 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.36 0.00 2.17 2.18 0.00 3.97 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 14 G 7.66 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 15 K 8.22 4.28 0.00 1.69 1.78 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.35 7.81 16 A 7.66 4.21 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 0.00 0.00 0.00 0.00 0.00 17 R 8.06 4.91 0.00 1.60 1.78 0.00 3.30 0.00 0.00 3.18 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 18 I 8.66 4.29 2.00 0.00 0.00 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 1.21 0.63 0.96 0.00 0.00 19 I 8.32 4.35 1.79 0.00 0.00 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 1.29 0.69 0.69 0.00 0.00 20 R 8.30 4.70 0.00 0.83 1.95 0.00 3.43 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.52 0.00 21 Y 9.35 5.53 0.00 3.15 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.67 5.84 0.00 3.28 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 23 Y 9.92 4.46 0.00 3.01 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 24 N 8.28 4.80 0.00 2.39 2.48 0.00 0.00 6.66 8.25 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 25 A 8.48 3.75 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.14 4.01 0.00 1.72 1.98 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.43 7.81 27 A 8.11 4.04 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.83 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 6.96 4.91 0.00 1.39 1.41 0.87 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.46 4.70 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 31 Q 8.66 4.72 0.00 1.28 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.72 0.00 0.00 0.00 0.00 0.00 2.18 2.02 0.00 32 T 8.45 5.02 4.05 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 0.62 0.00 0.00 33 F 8.92 4.98 0.00 3.09 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 34 V 8.44 4.27 2.10 0.00 0.00 0.00 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 35 Y 8.88 4.82 0.00 2.46 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 36 G 8.19 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 0.00 0.00 0.00 37 G 6.55 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 0.00 0.00 0.00 38 A 6.44 4.59 1.16 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 39 R 8.92 3.88 0.00 2.17 2.17 0.00 3.45 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 40 A 8.16 4.27 1.06 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 0.00 0.00 41 K 8.35 4.33 0.00 1.72 1.67 0.00 1.46 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.10 0.93 7.81 42 R 8.00 3.69 0.00 0.95 0.66 0.00 2.39 0.00 0.00 2.87 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.26 0.00 43 N 7.79 4.81 0.00 3.18 2.86 0.00 0.00 6.73 7.79 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 44 N 6.44 5.03 0.00 2.70 2.59 0.00 0.00 7.07 7.02 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 45 F 9.50 5.06 0.00 3.30 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 46 K 8.87 4.53 0.00 1.84 1.94 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.48 7.81 47 S 7.65 4.28 0.00 3.97 3.85 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 0.00 0.00 0.00 0.00 48 A 7.31 3.50 1.03 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 49 E 7.83 3.77 0.00 1.97 1.93 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 2.33 2.33 0.00 50 D 8.16 4.16 0.00 2.82 2.73 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 51 A 7.36 2.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.86 3.81 0.00 1.60 1.66 0.88 0.89 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 53 R 7.75 3.79 0.00 1.86 2.07 0.00 3.24 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 54 T 7.68 4.11 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 1.59 0.00 0.00 55 C 7.76 4.64 0.00 2.41 1.99 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.91 3.27 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 0.00 57 G 7.72 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