NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.0858 8.3044 120.3340 56.2783 33.1137 170.3921 2 Q 3.2935 8.9309 127.1190 56.3360 28.1978 171.4599 3 K 3.7597 8.6779 128.0773 56.8199 30.2383 176.4102 4 G 3.7742 7.8764 108.4104 47.5081 0.0000 172.1108 5 N 4.6100 8.3310 118.5574 56.2799 38.8779 176.0381 6 F 4.4505 8.8781 123.7432 59.8699 39.4063 176.5456 7 R 4.1343 8.5575 116.1974 58.5293 28.9806 178.0061 8 N 4.5411 8.2133 118.4423 55.8704 36.9312 176.6269 9 Q 3.9028 7.7825 120.3850 57.7368 28.4437 177.8588 10 R 4.2180 8.0280 116.5503 57.0466 29.8060 176.3296 11 K 4.3991 7.8700 121.5247 58.4304 33.0308 175.4354 12 T 3.3694 7.6718 107.7398 62.3528 66.4225 171.7796 13 V 3.5179 6.9931 114.4251 60.7471 33.6369 176.1513 14 K 4.5332 7.8734 123.4900 54.6362 34.2060 175.3214 15 C 4.0991 8.3713 127.9549 58.2506 31.9719 173.7956 16 F 4.6734 8.6304 124.2544 58.5233 38.5202 175.7733 17 N 4.8404 7.6991 119.2622 55.4205 39.7856 175.6016 18 C 4.2920 7.7591 112.4969 59.9843 30.5120 174.7756 19 G 2.4334 7.3261 107.8622 44.4904 0.0000 173.1878 20 K 4.2558 7.3267 121.7764 54.2921 34.4130 174.0617 21 E 4.7204 8.9671 117.7671 54.4453 32.1326 174.5504 22 G 3.3811 7.4759 117.4199 45.5032 0.0000 172.6013 23 H 4.6785 7.4365 115.4732 54.4897 31.1435 172.5887 24 I 4.2307 7.8754 113.4701 58.5671 40.1324 176.1751 25 A 4.0173 8.6226 123.8366 55.5584 18.3818 180.2804 26 K 3.9816 8.2816 113.9224 59.6183 32.1599 177.5778 27 N 4.8318 8.1302 113.0883 53.0338 38.6159 174.3621 28 C 4.3909 7.7811 119.6946 58.5594 32.3532 173.8467 29 R 3.9814 8.5241 126.6484 58.8647 30.1166 176.8308 30 A 4.2005 7.7808 119.4705 51.2477 18.9738 175.1150 31 P 4.4202 0.0000 0.0000 61.9590 32.2210 176.3009 32 R 3.9176 8.5443 118.8931 57.0418 29.6990 175.7775 33 K 4.7839 8.8982 122.0797 55.0548 36.7239 176.3696 34 K 4.7113 8.1832 115.6194 55.6207 32.3488 177.2741 35 G 4.1750 8.0595 107.2220 44.9213 0.0000 173.8964 36 C 3.5301 8.7508 127.6283 58.9466 32.5583 174.0074 37 W 4.9467 7.2571 128.1121 57.3819 29.3262 177.0443 38 K 4.4789 8.1358 118.1160 57.7284 34.0399 176.1043 39 C 4.5047 8.4201 110.6379 57.6871 31.2364 174.5620 40 G 3.9043 8.3701 107.3020 45.1227 0.0000 172.4034 41 K 4.2564 7.8638 120.9936 54.3904 33.1750 175.2218 42 E 4.7001 9.1708 124.9999 56.1941 30.0568 175.5710 43 G 4.2204 7.7240 121.7244 46.1668 0.0000 172.1608 44 H 4.7351 7.3071 115.4640 53.3875 30.8259 173.2192 45 Q 4.3279 7.9000 115.6508 53.9662 31.7519 175.9573 46 M 3.7838 7.9009 117.8202 58.4870 32.0194 178.9910 47 K 3.8516 7.9864 117.6863 58.7354 32.3075 176.2831 48 D 4.7968 7.7257 117.7447 53.2784 41.7964 175.0926 49 C 3.9657 8.1527 119.3016 59.7757 31.3252 173.4190 50 T 4.2010 7.9253 120.8387 62.6952 66.5640 174.6214 51 E 4.2865 7.0316 117.7503 57.8132 30.5340 176.6686 52 R 4.6711 7.2102 116.7597 54.1007 34.6817 174.5614 53 Q 4.0992 8.5471 118.0894 56.7352 29.1849 177.9033 54 A 4.4693 8.1909 122.9308 51.9302 17.8463 176.7759 55 N 4.5090 8.2720 118.9131 52.7703 38.8928 175.2805 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 4.09 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.58 0.00 2 Q 8.93 3.29 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.22 6.10 0.00 0.00 0.00 0.00 0.00 2.19 2.40 0.00 3 K 8.68 3.76 0.00 2.02 1.97 0.00 1.81 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.45 7.81 4 G 7.88 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.33 4.61 0.00 2.89 2.90 0.00 0.00 6.90 7.74 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 6 F 8.88 4.45 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 7 R 8.56 4.13 0.00 2.06 2.31 0.00 2.85 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.64 0.00 8 N 8.21 4.54 0.00 2.86 3.15 0.00 0.00 6.73 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 7.78 3.90 0.00 1.68 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.90 0.00 0.00 0.00 0.00 0.00 1.89 1.16 0.00 10 R 8.03 4.22 0.00 1.89 2.08 0.00 2.99 0.00 0.00 3.13 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.58 0.00 11 K 7.87 4.40 0.00 1.63 1.81 0.00 1.89 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.27 1.28 7.81 12 T 7.67 3.37 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 1.13 0.00 0.00 13 V 6.99 3.52 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 0.51 0.00 0.00 0.72 0.00 0.00 14 K 7.87 4.53 0.00 1.45 1.23 0.00 0.76 0.00 0.00 0.61 0.00 0.00 3.23 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.87 0.90 7.81 15 C 8.37 4.10 0.00 2.57 2.45 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 0.00 0.00 0.00 0.00 16 F 8.63 4.67 0.00 3.13 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 17 N 7.70 4.84 0.00 2.73 2.82 0.00 0.00 7.14 7.89 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 18 C 7.76 4.29 0.00 3.09 3.03 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 19 G 7.33 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.33 4.26 0.00 1.64 1.55 0.00 1.62 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.35 7.81 21 E 8.97 4.72 0.00 1.82 1.69 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 0.00 2.28 2.06 0.00 22 G 7.48 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.44 4.68 0.00 3.23 3.31 0.00 5.43 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.88 4.23 1.83 0.00 0.00 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 1.33 0.87 0.76 0.00 0.00 25 A 8.62 4.02 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 3.98 0.00 1.82 1.95 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.48 7.81 27 N 8.13 4.83 0.00 2.78 2.92 0.00 0.00 7.13 7.64 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 28 C 7.78 4.39 0.00 3.16 2.99 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 29 R 8.52 3.98 0.00 1.77 1.92 0.00 3.46 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 30 A 7.78 4.20 1.28 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 0.00 0.00 31 P 0.00 4.42 0.00 2.21 2.08 0.00 3.82 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 2.01 2.00 0.00 32 R 8.54 3.92 0.00 1.83 2.01 0.00 3.24 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 33 K 8.90 4.78 0.00 1.87 1.75 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.41 7.81 34 K 8.18 4.71 0.00 1.64 1.66 0.00 1.62 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.45 7.81 35 G 8.06 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.75 3.53 0.00 2.52 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 37 W 7.26 4.95 0.00 3.50 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.14 4.48 0.00 1.62 1.74 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.37 1.36 7.81 39 C 8.42 4.50 0.00 3.11 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 40 G 8.37 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 41 K 7.86 4.26 0.00 1.85 1.68 0.00 1.74 0.00 0.00 1.92 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.42 7.81 42 E 9.17 4.70 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 43 G 7.72 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 44 H 7.31 4.74 0.00 3.20 3.29 0.00 5.47 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 7.90 4.33 0.00 1.89 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.79 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 46 M 7.90 3.78 0.00 1.99 1.74 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 47 K 7.99 3.85 0.00 1.68 1.81 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.45 7.81 48 D 7.73 4.80 0.00 2.57 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.15 3.97 0.00 3.04 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 50 T 7.93 4.20 4.07 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 0.99 0.00 0.00 51 E 7.03 4.29 0.00 2.03 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 2.27 2.41 0.00 52 R 7.21 4.67 0.00 1.73 1.79 0.00 3.23 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 53 Q 8.55 4.10 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.28 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 54 A 8.19 4.47 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.27 4.51 0.00 2.93 2.86 0.00 0.00 6.28 7.64 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