NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5550 8.1476 118.3247 55.2893 33.4055 173.6612 2 Q 5.3949 8.4887 117.9969 52.3274 31.0831 172.8629 3 I 4.5897 8.6703 115.3989 59.0329 42.0792 174.9808 4 F 5.3969 8.8820 121.4631 55.7547 42.3062 174.9625 5 V 4.7621 9.0436 122.2777 61.2347 34.1542 174.2831 6 K 4.9714 9.0538 128.8569 55.6015 33.8566 176.9769 7 T 4.8949 8.4826 115.4813 60.1374 71.0298 174.5806 8 L 4.3548 8.5167 119.2919 55.6480 41.5928 177.6701 9 T 4.3739 7.8738 107.7892 61.1412 68.8259 175.6237 10 G 3.9300 8.2401 110.1503 45.3302 0.0000 173.9237 11 K 4.2403 7.4288 121.7070 56.5232 33.5912 175.6529 12 T 5.0102 8.4225 122.5077 61.9131 71.3236 173.1541 13 I 4.4385 9.0820 128.0858 60.1333 39.2062 174.8035 14 T 5.0097 8.5632 123.7072 62.1812 70.1624 174.1708 15 L 4.7900 8.6027 125.1876 52.8190 45.8682 174.9798 16 E 4.8558 8.6912 123.6046 55.1294 30.5881 175.2609 17 V 4.7556 8.8919 119.5407 60.1272 36.5434 174.0407 18 E 4.7230 9.3127 120.5519 53.9103 32.6531 175.9396 19 P 4.1330 0.0000 0.0000 65.7295 31.5184 178.1780 20 S 4.4933 7.8734 109.4994 58.5118 63.8264 174.0263 21 D 4.4245 8.1306 123.7383 54.6541 41.2635 176.3225 22 T 4.6389 8.2800 114.0717 61.4888 71.0435 175.7660 23 I 3.7358 8.3079 123.4861 64.4481 37.0810 178.4754 24 E 3.9053 8.1356 120.0454 59.3454 29.6041 178.3880 25 N 4.2976 8.2027 117.0695 56.7004 38.9744 176.9896 26 V 3.5969 7.7929 119.6933 65.9277 31.6018 178.1967 27 K 4.5621 8.7025 119.7253 58.8616 31.7942 179.2163 28 A 4.0099 8.1075 121.2245 54.9385 18.2716 179.7962 29 K 3.8918 7.9622 116.7458 59.7935 32.0761 179.5827 30 I 3.7256 7.7842 120.0097 64.4125 36.9632 178.3177 31 Q 4.2013 7.9677 121.8187 58.5825 28.6412 177.8650 32 D 4.3529 8.0142 119.4492 57.0803 41.0455 178.3516 33 K 4.3163 7.9115 116.6096 57.6593 33.3173 176.9386 34 E 4.4551 8.3607 117.3549 55.2133 31.2751 177.0831 35 G 3.9059 8.1641 106.5570 45.3427 0.0000 173.5625 36 I 4.0096 7.3721 121.6995 59.7048 37.8917 173.7337 37 P 4.4363 0.0000 0.0000 61.8579 32.1043 175.4730 38 P 4.2570 0.0000 0.0000 65.8716 31.3488 177.9803 39 D 4.5395 7.9920 115.0873 55.1134 39.7946 176.7274 40 Q 4.2824 8.2177 118.6794 56.5652 29.7161 174.8073 41 Q 4.7081 7.8953 118.9615 54.7412 30.6411 174.8960 42 R 4.7721 9.0019 123.1982 54.5004 32.9389 174.6640 43 L 5.1304 8.4596 124.0894 53.2436 44.3680 175.7021 44 I 5.1347 8.6483 122.8994 59.6583 41.3243 174.4151 45 F 4.8547 9.1209 127.3443 57.3265 43.1570 174.0677 46 A 3.6349 8.7052 128.7550 53.2436 15.8652 177.5899 47 G 3.9256 8.4022 105.1363 46.2294 0.0000 173.7415 48 K 4.6549 7.6887 117.8159 54.1047 35.6262 175.4462 49 Q 4.6386 8.5383 121.7316 55.7311 29.5020 175.5955 50 L 4.0016 8.5688 125.0488 54.2115 42.7070 176.4127 51 E 4.3481 9.4911 124.3564 55.5804 30.6878 177.4107 52 D 4.3825 9.2011 124.2160 57.5135 41.0438 178.5007 53 G 3.8899 8.0010 104.4245 45.9465 0.0000 173.5175 54 R 4.4507 7.9697 120.3109 55.1942 32.0432 175.3580 55 T 4.9900 9.0068 109.4163 59.7447 71.1535 175.6511 56 L 4.0629 8.5559 123.0451 58.1920 42.0334 180.3947 57 S 4.2077 8.3465 112.9562 61.0074 63.2005 176.1411 58 D 4.2245 7.7063 120.1437 56.7540 40.5019 176.6699 59 Y 4.5898 7.7934 113.7114 56.9339 38.2712 174.6962 60 N 4.1336 7.8956 116.9716 54.4861 37.9061 174.2247 61 I 3.3642 7.5392 117.9144 60.5627 37.0955 175.5546 62 Q 4.6724 8.4715 126.3952 53.0852 31.4428 174.9658 63 K 4.0048 8.4325 117.4433 59.1387 32.4667 176.3819 64 E 3.8298 8.9929 121.0216 57.1502 27.7640 174.7511 65 S 4.5614 7.9521 115.5106 58.9878 64.2474 173.3611 66 T 5.2179 8.7991 119.3088 62.1647 70.4779 173.9742 67 L 5.0129 9.3908 126.9737 53.9191 44.7130 175.0816 68 H 5.4399 9.0623 116.6972 54.0713 32.1976 173.3275 69 L 5.1668 8.8134 122.9533 53.3868 44.3447 175.7756 70 V 4.5411 8.8788 126.0543 61.1032 34.6351 173.9633 71 L 5.1997 8.2913 125.6867 52.9529 43.6646 176.5613 72 R 4.1060 8.7465 122.8326 56.1270 30.8776 176.9769 73 L 4.1924 8.3981 121.7545 55.0844 41.8258 176.7388 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 8.15 4.56 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.63 0.00 2 Q 8.49 5.39 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 2.20 1.89 0.00 3 I 8.67 4.59 1.85 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.63 0.81 0.00 0.00 4 F 8.88 5.40 0.00 2.99 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 5 V 9.04 4.76 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 0.99 0.00 0.00 0.94 0.00 0.00 6 K 9.05 4.97 0.00 1.35 1.59 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.41 7.81 7 T 8.48 4.89 4.25 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 1.22 0.00 0.00 8 L 8.52 4.35 0.00 1.67 1.75 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.87 4.37 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 1.21 0.00 0.00 10 G 8.24 3.93 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 0.00 11 K 7.43 4.24 0.00 1.89 1.68 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.42 7.81 12 T 8.42 5.01 4.23 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 1.24 0.00 0.00 13 I 9.08 4.44 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.70 0.98 0.00 0.00 14 T 8.56 5.01 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 1.16 0.00 0.00 15 L 8.60 4.79 0.00 1.66 1.42 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.69 4.86 0.00 1.91 1.81 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 2.19 2.35 0.00 17 V 8.89 4.76 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 0.67 0.00 0.00 0.89 0.00 0.00 18 E 9.31 4.72 0.00 1.80 1.77 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 2.18 2.37 0.00 19 P 0.00 4.13 0.00 2.15 2.09 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 20 S 7.87 4.49 0.00 3.96 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 21 D 8.13 4.42 0.00 2.84 2.62 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 0.00 0.00 0.00 0.00 22 T 8.28 4.64 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 23 I 8.31 3.74 2.15 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.13 0.91 0.00 0.00 24 E 8.14 3.91 0.00 2.20 1.95 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 2.31 2.32 0.00 25 N 8.20 4.30 0.00 2.81 2.98 0.00 0.00 6.89 7.58 0.00 0.00 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 V 7.79 3.60 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.93 0.00 0.00 27 K 8.70 4.56 0.00 1.99 1.84 0.00 1.84 0.00 0.00 1.92 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.64 1.47 7.81 28 A 8.11 4.01 1.35 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 29 K 7.96 3.89 0.00 2.00 1.86 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.69 7.81 30 I 7.78 3.73 2.15 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.78 0.91 0.00 0.00 31 Q 7.97 4.20 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 32 D 8.01 4.35 0.00 2.89 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.91 4.32 0.00 1.92 1.93 0.00 1.54 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.47 7.81 34 E 8.36 4.46 0.00 2.03 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 2.23 2.36 0.00 35 G 8.16 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 0.00 0.00 0.00 36 I 7.37 4.01 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.27 0.91 0.00 0.00 37 P 0.00 4.44 0.00 2.32 1.97 0.00 3.62 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.26 0.00 2.17 2.12 0.00 3.59 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 39 D 7.99 4.54 0.00 2.77 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.22 4.28 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.92 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 41 Q 7.90 4.71 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 42 R 9.00 4.77 0.00 1.83 1.81 0.00 3.10 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 43 L 8.46 5.13 0.00 1.55 1.52 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.65 5.13 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.57 0.87 0.00 0.00 45 F 9.12 4.85 0.00 3.05 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.71 3.63 1.02 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 0.00 0.00 47 G 8.40 3.93 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 0.00 48 K 7.69 4.65 0.00 1.88 1.71 0.00 1.97 0.00 0.00 1.87 0.00 0.00 3.23 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.58 7.81 49 Q 8.54 4.64 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.91 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 50 L 8.57 4.00 0.00 1.37 1.30 0.74 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.49 4.35 0.00 2.04 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 2.37 2.42 0.00 52 D 9.20 4.38 0.00 2.72 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 53 G 8.00 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 54 R 7.97 4.45 0.00 2.03 1.92 0.00 3.25 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 55 T 9.01 4.99 4.40 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 1.22 0.00 0.00 56 L 8.56 4.06 0.00 1.91 1.74 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.35 4.21 0.00 3.98 4.23 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 58 D 7.71 4.22 0.00 2.48 2.32 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 59 Y 7.79 4.59 0.00 2.94 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 60 N 7.90 4.13 0.00 2.95 3.04 0.00 0.00 7.13 7.96 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 61 I 7.54 3.36 1.81 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.27 0.62 0.00 0.00 62 Q 8.47 4.67 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.94 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 63 K 8.43 4.00 0.00 1.84 1.82 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.49 7.81 64 E 8.99 3.83 0.00 2.24 2.38 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 2.44 2.32 0.00 65 S 7.95 4.56 0.00 3.74 3.69 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 0.00 0.00 0.00 66 T 8.80 5.22 4.40 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 1.28 0.00 0.00 67 L 9.39 5.01 0.00 1.61 1.95 0.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.06 5.44 0.00 3.10 3.20 0.00 5.75 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.81 5.17 0.00 1.58 1.52 0.98 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.88 4.54 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 1.01 0.00 0.00 0.94 0.00 0.00 71 L 8.29 5.20 0.00 1.54 1.56 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.75 4.11 0.00 1.68 1.86 0.00 3.40 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 73 L 8.40 4.19 0.00 1.63 1.57 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00