NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3428 8.3044 120.3282 53.3039 33.6444 175.5356 2 E 4.1942 9.4962 129.5196 57.3728 30.6252 174.2068 3 K 4.0252 8.0001 118.2054 59.2732 33.0164 179.0544 4 V 3.5659 7.6897 117.9900 66.3105 31.8407 177.8787 5 Q 4.1843 8.2073 117.2518 59.2321 28.4499 178.4599 6 Y 3.8970 8.0926 120.4741 60.3253 38.9753 177.6887 7 L 4.0161 7.9435 119.8288 58.1686 41.8738 179.2893 8 T 3.8374 8.3535 113.4250 65.2571 67.3566 176.0837 9 R 3.8800 7.9172 120.2950 59.4365 30.1726 178.6818 10 S 4.0374 7.9404 114.9286 61.2187 62.7565 176.5560 11 A 3.9285 7.8937 123.1849 55.3907 18.0823 179.6405 12 I 3.8251 7.5151 116.8836 64.5658 37.1676 178.3721 13 R 4.0440 7.7142 118.9181 58.9204 30.1089 178.0066 14 R 4.2389 7.7220 112.9542 57.1684 29.7642 177.2531 15 A 4.5875 8.2092 121.7019 51.8223 19.1474 178.2967 16 S 4.2393 8.0206 113.5247 60.7247 63.3034 174.7370 17 T 4.6241 7.6112 111.1559 61.4276 69.1985 174.1733 18 I 4.7753 7.2801 120.1288 61.1437 41.4230 175.8383 19 E 4.7240 8.3020 120.5028 54.7391 30.4424 174.5336 20 M 4.8925 7.5342 120.1515 53.0741 36.5836 173.5169 21 P 4.2734 0.0000 0.0000 63.2968 31.2870 176.1308 22 Q 3.7530 7.6335 119.6146 57.8323 28.2227 175.7434 23 Q 4.0696 7.9811 115.3249 59.4939 28.9477 179.6497 24 A 3.9524 7.9380 120.8759 55.0382 18.5484 179.2597 25 R 3.7761 7.9240 117.1349 59.7978 30.0704 178.6478 26 Q 3.9432 7.9688 116.9215 59.1074 28.8132 178.7259 27 K 3.9763 8.3101 119.5855 59.4345 32.0096 179.3988 28 L 4.0124 8.4680 119.4573 57.9244 41.7104 179.2197 29 Q 4.0276 7.9329 117.7114 59.4572 28.8487 179.1073 30 N 4.3903 8.0207 116.7100 56.3937 38.6569 177.4029 31 L 4.0554 8.3994 120.5852 57.8685 41.6614 179.5764 32 F 4.0916 8.9246 120.7317 61.4002 39.4169 176.8164 33 I 3.9011 7.8559 118.9672 64.7293 37.1197 177.5918 34 N 4.2290 8.0815 117.0207 56.9203 38.7350 176.5567 35 F 4.1377 8.6035 122.5050 61.1814 39.3933 176.7215 36 C 3.6374 8.4430 114.7883 61.1323 29.2842 175.8403 37 L 3.8451 7.6407 121.7139 57.5112 41.3419 179.5176 38 I 3.5748 7.3397 119.0314 64.1929 36.9833 178.2286 39 L 3.5920 7.5532 121.3082 58.2364 41.9275 179.1363 40 I 3.6801 7.9756 119.9624 65.0066 36.9584 177.3356 41 C 4.0758 7.9866 117.8429 62.5784 27.8570 175.6906 42 L 3.9763 8.1821 120.5995 58.1349 41.4114 179.8681 43 L 3.9211 7.8822 118.8737 57.8160 41.6257 179.2018 44 L 3.9791 7.9980 118.6796 58.0847 41.5373 179.8990 45 I 3.6725 7.6897 119.3830 64.4979 37.1760 178.1033 46 C 4.0636 7.9662 117.4479 62.9453 28.1016 176.0670 47 I 3.6919 7.6637 121.1828 64.6190 36.7243 178.4121 48 I 3.6664 7.6690 120.2764 64.5522 36.7584 178.5131 49 V 3.6140 7.7144 117.6321 66.4675 31.2292 177.6726 50 M 4.2268 7.6472 117.2106 58.1781 31.9212 178.3358 51 L 4.1268 7.5896 118.1252 57.4883 41.8462 177.7583 52 L 4.2753 7.7099 122.5514 55.2024 41.7875 176.8959 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 4.34 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 2 E 9.50 4.19 0.00 2.25 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 0.00 2.29 2.36 0.00 3 K 8.00 4.03 0.00 1.89 1.85 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.51 1.51 7.81 4 V 7.69 3.57 2.10 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 0.99 0.00 0.00 0.95 0.00 0.00 5 Q 8.21 4.18 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.71 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 6 Y 8.09 3.90 0.00 3.28 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 7 L 7.94 4.02 0.00 1.96 1.73 0.98 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.35 3.84 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 1.28 0.00 0.00 9 R 7.92 3.88 0.00 2.04 1.75 0.00 3.04 0.00 0.00 2.93 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 10 S 7.94 4.04 0.00 4.15 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 11 A 7.89 3.93 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 12 I 7.52 3.83 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.64 0.89 0.00 0.00 13 R 7.71 4.04 0.00 2.02 1.90 0.00 3.17 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 14 R 7.72 4.24 0.00 2.03 2.02 0.00 3.10 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 15 A 8.21 4.59 1.36 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 16 S 8.02 4.24 0.00 3.98 4.12 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 T 7.61 4.62 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 1.20 0.00 0.00 18 I 7.28 4.78 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.74 0.90 0.00 0.00 19 E 8.30 4.72 0.00 1.87 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 2.25 0.00 20 M 7.53 4.89 0.00 2.00 1.87 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 21 P 0.00 4.27 0.00 2.17 2.13 0.00 3.89 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 22 Q 7.63 3.75 0.00 2.37 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.54 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 23 Q 7.98 4.07 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 24 A 7.94 3.95 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 25 R 7.92 3.78 0.00 1.90 2.01 0.00 3.09 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 26 Q 7.97 3.94 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 27 K 8.31 3.98 0.00 1.91 1.88 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.50 7.81 28 L 8.47 4.01 0.00 1.91 1.71 0.91 0.97 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 29 Q 7.93 4.03 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 30 N 8.02 4.39 0.00 2.74 2.89 0.00 0.00 7.42 8.09 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 31 L 8.40 4.06 0.00 1.83 1.77 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 32 F 8.92 4.09 0.00 3.15 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 33 I 7.86 3.90 2.11 0.00 0.00 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 1.54 0.81 0.96 0.00 0.00 34 N 8.08 4.23 0.00 2.83 3.01 0.00 0.00 6.97 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 35 F 8.60 4.14 0.00 3.08 3.08 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 0.00 0.00 0.00 0.00 36 C 8.44 3.64 0.00 2.82 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 37 L 7.64 3.85 0.00 1.66 1.71 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.34 3.57 1.79 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 1.35 1.00 0.72 0.00 0.00 39 L 7.55 3.59 0.00 0.92 1.43 0.71 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.98 3.68 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.73 0.87 0.00 0.00 41 C 7.99 4.08 0.00 3.04 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.18 3.98 0.00 1.68 1.70 0.89 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.88 3.92 0.00 1.81 1.67 0.86 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.00 3.98 0.00 1.80 1.72 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.69 3.67 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.69 0.90 0.00 0.00 46 C 7.97 4.06 0.00 3.17 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 47 I 7.66 3.69 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.34 0.90 0.00 0.00 48 I 7.67 3.67 2.02 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.78 0.90 0.00 0.00 49 V 7.71 3.61 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 0.78 0.00 0.00 0.95 0.00 0.00 50 M 7.65 4.23 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.80 0.00 51 L 7.59 4.13 0.00 1.82 1.73 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.71 4.28 0.00 1.80 1.60 0.92 0.88 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