NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3071 8.3044 120.3499 54.4343 33.3777 174.2951 2 K 3.5698 8.5180 122.3254 56.5663 32.4127 174.5821 3 R 4.4913 8.2826 125.7818 55.1016 32.2962 177.0776 4 T 4.0108 8.5127 109.5212 63.0471 68.6571 173.7026 5 F 4.9868 8.0996 124.4151 56.8929 40.4825 174.5096 6 Q 4.2098 8.2189 127.5606 52.4362 29.5385 173.4807 7 P 4.0038 0.0000 0.0000 62.9063 31.9419 177.3381 8 S 4.6209 7.9251 108.6879 56.3913 63.6081 176.8130 9 V 3.6918 7.8963 129.9017 65.2878 30.9026 177.7721 10 L 3.9187 7.8571 119.6031 57.6993 42.2181 178.4592 11 K 4.1050 7.9150 118.7109 59.4262 32.2967 178.2652 12 R 3.9037 8.1007 117.9516 59.7570 30.1061 177.3010 13 N 4.5440 8.2767 116.3980 56.3506 38.9770 176.8711 14 R 4.3022 7.9569 118.3237 58.2546 30.1173 176.9054 15 S 4.7660 7.6810 111.8988 58.6272 64.0131 174.3209 16 H 4.7241 8.0559 113.1422 56.1210 32.9988 173.9756 17 G 3.8883 8.7339 110.3326 44.8694 0.0000 174.5437 18 F 4.2175 8.9444 121.3607 61.3711 39.3365 177.3329 19 R 3.7378 8.3965 118.6836 59.2628 29.9854 178.5612 20 A 3.7975 7.4645 118.3881 54.0518 19.0058 178.5719 21 R 3.9454 8.3637 116.9238 58.7503 30.2513 177.2039 22 M 4.1628 7.4992 114.1518 55.2022 32.9514 175.9899 23 A 4.3918 6.9799 122.1219 49.3789 17.9603 176.5178 24 T 4.4486 6.8301 120.6302 61.2401 70.2453 172.5432 25 K 4.2724 8.6693 129.3603 57.0887 32.2861 176.2187 26 N 4.8125 8.0651 114.9001 54.0722 40.9207 175.5835 27 G 3.8823 7.5861 102.9736 46.8419 0.0000 175.4382 28 R 3.9430 8.2988 123.5246 58.4338 30.1373 177.7176 29 Q 4.0187 8.1362 117.6558 58.2714 28.9783 178.1456 30 V 3.8375 8.6801 120.1079 66.0547 31.7310 177.1034 31 L 4.2562 8.2094 117.1284 56.0117 41.3033 178.8407 32 A 4.0125 7.6096 121.3576 55.2595 18.5420 180.1078 33 R 3.9724 7.8916 115.4305 58.8420 29.9343 179.5813 34 R 3.9458 7.7042 117.6794 59.3355 30.4669 178.7645 35 R 4.1870 8.0997 116.7285 58.0771 30.0514 178.6183 36 A 4.1285 8.0549 119.9338 54.0485 18.4507 178.6432 37 K 4.3215 7.6874 115.1685 55.6329 32.7018 176.9645 38 G 3.6596 8.6637 109.1367 42.0892 0.0000 170.1009 39 R 3.7516 8.5177 126.4711 54.5366 31.2919 174.9055 40 A 3.6665 8.2473 128.1309 55.6427 18.5081 177.4190 41 R 4.1890 7.9082 123.0389 54.1696 29.9032 177.4631 42 L 3.9309 8.3207 125.4712 57.4562 42.3648 177.5304 43 T 4.2538 7.8882 108.7218 62.6954 70.8187 173.1883 44 V 3.3507 7.6218 113.0777 62.9710 29.1551 174.7767 45 S 4.6775 8.1296 111.6619 58.5750 63.2105 174.1901 46 K 4.1852 7.6653 126.3448 56.9362 32.1044 175.8835 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 4.31 0.00 1.98 2.05 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 2.48 2.60 0.00 2 K 8.52 3.57 0.00 1.83 1.78 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.67 7.81 3 R 8.28 4.49 0.00 1.91 1.88 0.00 3.37 0.00 0.00 3.43 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.58 0.00 4 T 8.51 4.01 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 5 F 8.10 4.99 0.00 2.88 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 6 Q 8.22 4.21 0.00 1.97 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.73 0.00 0.00 0.00 0.00 0.00 2.41 2.22 0.00 7 P 0.00 4.00 0.00 1.99 1.60 0.00 3.53 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.69 0.00 8 S 7.93 4.62 0.00 3.94 3.95 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 0.00 0.00 0.00 0.00 9 V 7.90 3.69 2.09 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 0.80 0.00 0.00 0.95 0.00 0.00 10 L 7.86 3.92 0.00 1.66 1.75 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.92 4.11 0.00 1.87 1.90 0.00 1.83 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.51 7.81 12 R 8.10 3.90 0.00 1.85 2.03 0.00 3.37 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 13 N 8.28 4.54 0.00 2.90 2.88 0.00 0.00 6.80 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 14 R 7.96 4.30 0.00 2.13 1.96 0.00 3.26 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 15 S 7.68 4.77 0.00 3.92 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 16 H 8.06 4.72 0.00 3.29 3.31 0.00 5.90 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.73 3.89 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 0.00 0.00 0.00 18 F 8.94 4.22 0.00 3.00 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 19 R 8.40 3.74 0.00 1.91 1.97 0.00 3.22 0.00 0.00 3.37 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.77 0.00 20 A 7.46 3.80 1.26 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 0.00 0.00 0.00 21 R 8.36 3.95 0.00 1.90 1.98 0.00 3.15 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 22 M 7.50 4.16 0.00 1.23 1.34 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 23 A 6.98 4.39 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 24 T 6.83 4.45 4.20 0.00 0.00 0.00 0.00 0.00 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 25 K 8.67 4.27 0.00 1.74 1.78 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.41 7.81 26 N 8.07 4.81 0.00 2.68 2.77 0.00 0.00 6.93 7.98 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 27 G 7.59 3.88 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 28 R 8.30 3.94 0.00 1.76 2.19 0.00 3.15 0.00 0.00 3.15 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.52 0.00 29 Q 8.14 4.02 0.00 2.29 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 30 V 8.68 3.84 2.23 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 0.99 0.00 0.00 0.97 0.00 0.00 31 L 8.21 4.26 0.00 1.89 1.77 1.15 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.61 4.01 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 33 R 7.89 3.97 0.00 1.92 2.00 0.00 3.19 0.00 0.00 3.34 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 34 R 7.70 3.95 0.00 1.92 2.02 0.00 3.52 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.85 0.00 35 R 8.10 4.19 0.00 2.02 1.98 0.00 3.14 0.00 0.00 3.19 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 36 A 8.05 4.13 1.38 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 37 K 7.69 4.32 0.00 1.89 1.86 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.44 7.81 38 G 8.66 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 0.00 0.00 0.00 39 R 8.52 3.75 0.00 1.94 1.97 0.00 3.31 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 40 A 8.25 3.67 1.23 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 0.00 0.00 41 R 7.91 4.19 0.00 1.88 1.91 0.00 3.13 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 42 L 8.32 3.93 0.00 1.56 1.68 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.89 4.25 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 1.31 0.00 0.00 44 V 7.62 3.35 2.09 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 0.92 0.00 0.00 0.95 0.00 0.00 45 S 8.13 4.68 0.00 4.05 4.11 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 46 K 7.67 4.19 0.00 1.66 1.71 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.37 7.81