NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2543 8.3149 119.9977 56.7950 33.6991 175.4567 2 E 4.0640 9.4423 124.1271 54.3214 31.7861 173.3202 3 G 3.2441 5.6681 107.7879 44.1667 0.0000 171.3839 4 Y 5.4332 7.7256 117.3634 57.3717 39.6381 176.0228 5 L 4.3449 8.3452 121.7987 54.2598 40.8038 174.6539 6 V 4.2440 7.7162 121.5829 60.2585 33.0162 175.7734 7 N 4.4558 9.2401 125.6625 53.6370 39.5026 175.5815 8 K 4.2557 9.0676 124.8590 57.7224 32.4625 177.1007 9 S 4.6189 8.4004 113.3082 59.6968 64.4793 175.4580 10 T 4.1750 8.0395 109.0799 60.9742 69.4911 175.5326 11 G 4.1698 8.6784 109.1803 46.7029 0.0000 171.6001 12 C 5.1172 7.9850 120.8884 54.3959 45.1677 173.2634 13 K 4.6888 8.6938 125.8039 56.7771 33.8241 176.9024 14 Y 4.5144 8.9578 121.1677 58.0262 37.8862 174.4478 15 G 4.5533 8.5030 111.5843 45.3551 0.0000 172.7860 16 C 4.8600 8.3683 121.0585 56.0924 42.4013 172.0744 17 L 4.6703 8.4712 116.8128 56.7714 45.0885 177.0584 18 L 4.3585 8.0328 121.0468 53.5659 41.3793 175.9175 19 L 4.2199 8.1801 126.2816 54.8138 42.7727 177.5900 20 G 3.9780 8.5826 106.2333 44.3844 0.0000 172.9880 21 K 4.5594 8.4380 119.6730 56.1261 30.8831 176.3711 22 N 4.6455 8.4373 123.7838 52.5132 40.8706 174.7152 23 E 4.0166 8.8141 127.6758 59.5318 29.6478 179.7042 24 G 3.6110 8.0975 105.2090 47.9830 0.0000 175.9803 25 C 4.2961 9.1453 121.5157 59.2791 41.7848 174.8728 26 D 4.4850 8.4398 121.3089 56.6922 40.4869 178.5412 27 K 3.9238 7.6223 116.8927 59.6274 32.2590 178.7426 28 E 4.2457 7.9525 118.5723 59.2372 29.4321 178.2983 29 C 4.3625 9.0575 118.8771 58.3283 43.7644 173.8463 30 K 4.4176 8.0455 120.5493 56.0431 32.3125 176.4459 31 A 4.3747 7.4438 119.5000 50.4181 19.6037 178.8906 32 K 3.8339 8.5023 119.8935 60.0263 31.8907 179.2148 33 N 4.4402 8.1189 115.0034 56.7740 38.8885 176.5183 34 Q 4.1098 7.2078 115.5828 58.9474 29.0466 177.8536 35 G 3.8964 8.1358 105.7197 45.2068 0.0000 173.7012 36 G 4.3495 7.6368 107.8138 45.9863 0.0000 173.8180 37 S 4.6428 8.3335 114.4711 59.4723 64.7971 173.6799 38 Y 4.6641 8.9232 120.4677 55.7756 42.7410 174.8177 39 G 4.3582 8.0597 111.5353 45.1947 0.0000 170.5569 40 Y 5.0828 9.4685 125.0359 55.5702 42.6462 173.2803 41 C 4.9112 9.1895 117.4888 55.7502 37.0515 172.5515 42 Y 4.5923 8.2325 125.9953 56.9013 40.0588 175.7987 43 A 2.9658 8.9195 130.1303 53.5340 16.5198 175.8614 44 F 3.8546 7.0672 112.8571 58.8501 37.2332 175.8277 45 G 3.4842 7.8232 105.4437 44.1916 0.0000 172.7251 46 C 4.8273 8.8304 121.1921 56.5719 41.4299 171.8432 47 W 4.8159 9.3061 135.0000 56.8773 31.3507 174.4687 48 C 5.2403 9.0206 127.1776 55.7777 36.0373 173.2574 49 E 4.4402 9.1840 124.5712 56.2929 31.1685 177.7708 50 G 4.0859 10.1319 110.5401 46.9132 0.0000 172.9191 51 L 4.4684 7.6176 120.5346 53.1275 42.5297 174.8798 52 P 4.4631 0.0000 0.0000 62.6535 31.8464 176.8868 53 E 4.1972 8.5527 117.9181 57.8104 29.6657 177.7591 54 S 4.4229 7.7860 112.3967 59.1390 63.3489 173.8232 55 T 4.2560 7.2316 117.1933 61.5411 68.6487 172.9276 56 P 4.3897 0.0000 0.0000 62.9669 31.9670 175.5579 57 T 4.8011 7.9585 110.1513 59.5974 71.4438 172.9497 58 Y 4.2014 8.2592 125.6438 57.6561 39.3224 173.9454 59 P 4.0720 0.0000 0.0000 60.5736 33.8744 175.0698 60 L 4.0587 8.0959 121.8752 54.6798 42.5392 175.1543 61 P 4.5987 0.0000 0.0000 62.9724 31.6382 175.2656 62 N 4.7394 7.7270 114.7228 54.7010 40.8044 174.3935 63 K 4.6364 7.5546 117.5230 54.6154 35.5814 174.9848 64 S 5.0496 8.3375 119.1472 57.3850 65.4349 173.9539 65 C 4.7954 8.1732 119.3964 56.3207 45.8514 173.9470 66 S 4.4605 8.7039 114.8447 59.0803 62.5889 174.0981 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 K 8.31 4.25 0.00 1.86 1.91 0.00 1.51 0.00 0.00 1.68 0.00 0.00 3.16 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.63 1.59 7.81 2 E 9.44 4.06 0.00 1.66 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 2.53 2.72 0.00 3 G 5.67 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 0.00 0.00 0.00 4 Y 7.73 5.43 0.00 2.96 2.81 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 5 L 8.35 4.34 0.00 1.03 0.61 1.07 0.70 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 6 V 7.72 4.24 2.39 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 0.74 0.00 0.00 1.14 0.00 0.00 7 N 9.24 4.46 0.00 3.22 2.90 0.00 0.00 6.95 6.89 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 8 K 9.07 4.26 0.00 1.81 1.85 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.43 7.81 9 S 8.40 4.62 0.00 4.00 3.97 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 10 T 8.04 4.17 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 1.25 0.00 0.00 11 G 8.68 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 C 7.99 5.12 0.00 3.06 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 13 K 8.69 4.69 0.00 1.77 1.75 0.00 1.44 0.00 0.00 1.86 0.00 0.00 3.16 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.30 1.04 7.81 14 Y 8.96 4.51 0.00 2.81 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 15 G 8.50 4.55 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 16 C 8.37 4.86 0.00 2.88 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 17 L 8.47 4.67 0.00 1.56 1.62 0.84 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.03 4.36 0.00 1.66 1.63 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.18 4.22 0.00 1.65 1.52 0.47 0.52 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 20 G 8.58 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 21 K 8.44 4.56 0.00 1.92 1.86 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.13 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.36 1.23 7.81 22 N 8.44 4.65 0.00 2.82 2.68 0.00 0.00 7.12 7.66 0.00 0.00 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 E 8.81 4.02 0.00 2.05 1.98 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 2.40 2.38 0.00 24 G 8.10 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 25 C 9.15 4.30 0.00 2.96 3.28 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 0.00 26 D 8.44 4.49 0.00 2.77 2.85 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 27 K 7.62 3.92 0.00 2.03 1.87 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.68 1.63 7.81 28 E 7.95 4.25 0.00 2.09 2.16 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 2.35 2.49 0.00 29 C 9.06 4.36 0.00 3.15 3.10 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 0.00 0.00 0.00 0.00 30 K 8.05 4.42 0.00 1.76 1.75 0.00 1.88 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.46 7.81 31 A 7.44 4.37 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.50 3.83 0.00 1.86 1.89 0.00 1.57 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.57 7.81 33 N 8.12 4.44 0.00 2.71 2.87 0.00 0.00 7.00 7.08 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 34 Q 7.21 4.11 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 5.47 0.00 0.00 0.00 0.00 0.00 2.40 2.81 0.00 35 G 8.14 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.64 4.35 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 0.00 37 S 8.33 4.64 0.00 3.86 3.97 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 38 Y 8.92 4.66 0.00 2.98 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 39 G 8.06 4.36 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 0.00 0.00 0.00 40 Y 9.47 5.08 0.00 3.29 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 41 C 9.19 4.91 0.00 2.95 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.23 4.59 0.00 2.44 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.92 2.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 7.07 3.85 0.00 3.19 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 45 G 7.82 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.83 4.83 0.00 2.99 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 47 W 9.31 4.82 0.00 3.61 3.17 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 0.00 0.00 0.00 0.00 48 C 9.02 5.24 0.00 2.71 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 49 E 9.18 4.44 0.00 2.10 1.98 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 2.92 2.69 0.00 50 G 10.13 4.09 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 0.00 0.00 0.00 51 L 7.62 4.47 0.00 1.68 1.79 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.46 0.00 2.33 1.95 0.00 3.65 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.10 0.00 53 E 8.55 4.20 0.00 1.95 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 2.31 2.23 0.00 54 S 7.79 4.42 0.00 3.81 3.86 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 55 T 7.23 4.26 4.19 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 1.16 0.00 0.00 56 P 0.00 4.39 0.00 2.14 2.03 0.00 3.67 0.00 0.00 3.83 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 T 7.96 4.80 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 1.15 0.00 0.00 58 Y 8.26 4.20 0.00 3.04 2.87 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 59 P 0.00 4.07 0.00 1.59 0.49 0.00 3.58 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.39 0.00 60 L 8.10 4.06 0.00 1.73 1.67 0.97 0.89 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 61 P 0.00 4.60 0.00 2.17 2.09 0.00 3.48 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.02 0.00 62 N 7.73 4.74 0.00 2.73 2.82 0.00 0.00 6.77 6.57 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 63 K 7.55 4.64 0.00 1.77 1.67 0.00 1.75 0.00 0.00 1.93 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.44 7.81 64 S 8.34 5.05 0.00 3.88 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 65 C 8.17 4.80 0.00 3.05 3.23 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 0.00 66 S 8.70 4.46 0.00 3.93 3.78 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