NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3946 8.2931 120.3209 55.4144 34.0067 175.8319 2 G 3.6364 7.5385 107.0214 44.5060 0.0000 172.4636 3 D 4.1500 8.8816 119.9963 56.7854 41.9182 176.6241 4 C 4.7234 8.8474 113.9230 55.0665 45.0802 175.4000 5 A 5.2436 6.9986 129.8571 52.8867 17.2673 178.1092 6 N 4.8048 7.4295 110.1159 52.8675 38.1639 174.7601 7 A 4.5011 7.7125 123.4400 52.0456 21.2926 178.1549 8 N 4.6495 8.4271 111.5807 53.4437 38.1364 173.2866 9 V 4.3331 8.0066 123.1360 61.7817 32.9519 174.0453 10 Y 4.1117 8.8004 130.0310 57.3229 39.1884 174.2801 11 P 3.2219 0.0000 0.0000 62.6990 32.5057 176.7943 12 N 4.5100 7.7694 115.1294 52.9297 36.6482 175.0720 13 W 5.0026 7.2766 118.8634 57.2365 30.3504 177.1560 14 V 3.8723 9.0228 120.0667 65.3867 31.3895 175.8161 15 S 4.4835 7.7840 112.1180 56.9735 65.5675 174.1356 16 K 4.1360 8.3866 122.5161 56.3581 32.5070 177.6138 17 D 5.8500 7.1631 127.6924 54.6105 40.8554 176.3434 18 W 4.9199 7.4969 114.6236 53.9787 30.7089 176.2533 19 A 3.9007 8.8030 120.6041 55.3201 17.9602 180.3714 20 G 2.8773 7.0250 103.1189 47.6468 0.0000 174.5693 21 G 3.3000 4.0000 105.1897 44.7262 0.0000 173.4909 22 Q 3.9157 8.3847 121.9605 54.9879 29.1966 174.9714 23 P 4.5857 0.0000 0.0000 63.7497 31.8778 176.2096 24 T 4.7598 8.1274 112.3732 63.6554 73.4268 173.2267 25 H 2.5800 6.6478 115.9943 54.9046 31.2105 172.3695 26 N 5.0764 7.6797 116.1007 51.5784 41.0747 174.9370 27 E 4.8839 8.6742 121.8958 53.2071 32.8118 175.0663 28 A 3.8399 8.4812 122.9020 54.4564 18.3717 178.4296 29 G 3.9979 9.1478 112.0198 45.4099 0.0000 173.3204 30 Q 4.3661 8.3053 120.6268 55.5650 29.7996 176.1163 31 S 5.2677 8.6816 120.1779 58.1748 65.0775 172.7196 32 I 4.6087 8.8795 120.2689 60.6004 41.9840 172.9305 33 V 4.9498 8.9552 125.5046 61.4354 34.5555 174.2791 34 Y 4.6266 9.3001 128.2490 56.9730 41.0086 174.7701 35 K 3.4130 10.1894 121.7434 57.8355 29.7819 174.3201 36 G 4.3328 8.8938 115.9505 46.1854 0.0000 171.4928 37 N 4.7726 7.6327 117.8200 52.5520 40.0549 173.5922 38 L 5.0430 8.5199 125.1908 53.8751 44.2038 174.8593 39 Y 5.4077 9.3549 122.7617 56.7217 42.8928 174.2233 40 T 5.4051 9.3418 116.2863 61.9095 73.0761 173.5551 41 A 3.8252 8.6488 126.9317 51.7886 19.2912 178.2899 42 N 4.2296 8.2794 119.5288 55.4335 38.8251 175.4705 43 W 5.2347 7.8816 114.7977 56.3921 31.4734 174.1842 44 Y 4.7824 7.2028 119.7606 56.1584 41.4261 172.9930 45 T 4.2671 8.1097 119.0040 61.1640 71.6413 172.9842 46 A 3.8556 8.1137 127.5948 51.4093 21.3801 177.3443 47 S 4.3155 8.7193 118.3582 60.8540 61.4188 176.7849 48 V 3.0824 8.7581 121.8100 59.6654 33.9636 170.6147 49 P 2.0000 0.0000 0.0000 64.6146 30.8794 175.4633 50 G 3.5677 7.3200 112.4515 45.8968 0.0000 174.0963 51 S 4.3645 7.4625 115.9023 58.8352 62.1359 175.3607 52 D 4.0286 9.0757 127.7793 54.3644 40.3915 174.2652 53 S 3.9280 8.8021 120.0210 58.4643 62.5089 171.0032 54 S 3.5890 6.3186 109.5832 57.0639 63.3988 175.1033 55 W 5.4230 8.3075 117.5888 55.3151 32.1266 176.5097 56 T 4.6912 8.6559 118.5840 62.4928 72.7338 172.9977 57 Q 4.1406 9.0559 129.0060 56.4060 29.1064 175.9355 58 V 4.0928 9.0866 119.8892 60.5208 32.9438 177.8779 59 G 3.9604 6.9707 107.4519 46.2056 0.0000 171.1736 60 S 4.9752 7.8980 117.2054 57.5993 67.1567 175.0497 61 C 4.4630 9.2284 124.1961 59.6986 38.7389 173.6356 62 N 4.4194 7.7931 121.0638 53.2858 36.4797 173.9550 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 8.29 4.39 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 2 G 7.54 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 0.00 0.00 0.00 3 D 8.88 4.15 0.00 2.75 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 C 8.85 4.72 0.00 2.69 3.01 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 5 A 7.00 5.24 1.30 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 0.00 0.00 6 N 7.43 4.80 0.00 2.78 2.82 0.00 0.00 5.93 7.26 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 7 A 7.71 4.50 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 8 N 8.43 4.65 0.00 2.81 2.99 0.00 0.00 6.50 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 9 V 8.01 4.33 2.03 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 0.78 0.00 0.00 0.91 0.00 0.00 10 Y 8.80 4.11 0.00 2.74 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 11 P 0.00 3.22 0.00 1.33 0.86 0.00 3.37 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.42 0.00 12 N 7.77 4.51 0.00 2.78 2.79 0.00 0.00 6.83 7.62 0.00 0.00 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 W 7.28 5.00 0.00 3.23 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 9.02 3.87 2.13 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 0.77 0.00 0.00 1.10 0.00 0.00 15 S 7.78 4.48 0.00 3.76 3.50 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 16 K 8.39 4.14 0.00 1.79 1.74 0.00 2.32 0.00 0.00 1.96 0.00 0.00 2.91 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.54 7.81 17 D 7.16 5.85 0.00 3.07 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 18 W 7.50 4.92 0.00 3.55 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 19 A 8.80 3.90 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.02 2.88 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 0.00 21 G 4.00 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 0.00 0.00 0.00 22 Q 8.38 3.92 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.92 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 23 P 0.00 4.59 0.00 2.24 2.27 0.00 3.67 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 24 T 8.13 4.76 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 1.29 0.00 0.00 25 H 6.65 2.58 0.00 2.57 2.78 0.00 5.41 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 N 7.68 5.08 0.00 2.78 2.62 0.00 0.00 7.38 7.28 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 27 E 8.67 4.88 0.00 1.84 1.86 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 2.43 1.80 0.00 28 A 8.48 3.84 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.15 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.31 4.37 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 31 S 8.68 5.27 0.00 3.84 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 32 I 8.88 4.61 2.25 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.29 1.01 0.00 0.00 33 V 8.96 4.95 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 1.00 0.00 0.00 0.96 0.00 0.00 34 Y 9.30 4.63 0.00 2.68 2.77 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 35 K 10.19 3.41 0.00 1.27 1.51 0.00 1.37 0.00 0.00 1.47 0.00 0.00 2.71 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.10 0.41 7.81 36 G 8.89 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.63 4.77 0.00 2.81 2.17 0.00 0.00 6.58 6.74 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 38 L 8.52 5.04 0.00 1.65 1.50 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 9.35 5.41 0.00 2.83 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 40 T 9.34 5.41 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 1.27 0.00 0.00 41 A 8.65 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.28 4.23 0.00 1.44 2.94 0.00 0.00 6.74 7.24 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 43 W 7.88 5.23 0.00 3.28 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 44 Y 7.20 4.78 0.00 2.96 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 45 T 8.11 4.27 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 46 A 8.11 3.86 0.93 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 0.00 0.00 0.00 0.00 0.00 47 S 8.72 4.32 0.00 4.04 3.66 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 0.00 0.00 0.00 0.00 48 V 8.76 3.08 1.66 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 -0.02 0.00 0.00 0.77 0.00 0.00 49 P 0.00 2.00 0.00 1.09 0.49 0.00 2.20 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.87 0.00 50 G 7.32 3.57 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 0.00 0.00 0.00 51 S 7.46 4.36 0.00 3.58 3.75 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 0.00 0.00 0.00 52 D 9.08 4.03 0.00 2.86 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 0.00 0.00 0.00 53 S 8.80 3.93 0.00 4.15 3.91 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 54 S 6.32 3.59 0.00 2.72 2.63 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 55 W 8.31 5.42 0.00 3.12 2.83 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 0.00 0.00 0.00 56 T 8.66 4.69 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 57 Q 9.06 4.14 0.00 1.99 1.95 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 2.07 1.74 0.00 58 V 9.09 4.09 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 0.74 0.00 0.00 1.00 0.00 0.00 59 G 6.97 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 60 S 7.90 4.98 0.00 3.76 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 61 C 9.23 4.46 0.00 3.01 3.11 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 0.00 0.00 0.00 0.00 62 N 7.79 4.42 0.00 2.79 2.81 0.00 0.00 6.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00