NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4694 8.1633 118.3246 55.4096 33.7535 173.2788 2 Q 4.8810 8.2037 117.2822 52.3124 31.2394 173.6518 3 I 4.5536 8.8987 117.2847 58.9377 42.0769 173.7398 4 F 5.3862 8.7583 121.4091 55.7171 42.3612 174.7378 5 V 4.8440 9.2644 122.4782 61.1688 34.2278 174.2049 6 K 5.0456 9.2673 128.5804 55.4584 33.9536 176.6960 7 T 4.6146 8.6813 115.6572 59.9620 70.9115 175.6023 8 L 3.9734 8.6402 123.8087 58.4502 42.0366 178.0528 9 T 3.9851 7.7763 106.2169 62.6496 68.9897 175.1675 10 G 3.9188 8.1161 110.9785 45.0994 0.0000 173.6752 11 K 4.1131 7.6738 120.9999 56.3000 32.8238 175.5263 12 T 4.9878 8.3006 121.4061 61.9851 70.4894 173.6376 13 I 4.3164 8.9984 128.6160 60.6289 38.9422 174.9953 14 T 4.9260 8.5465 123.4710 62.2099 69.9698 174.1088 15 L 4.8363 8.8586 125.8713 52.8907 45.8380 175.1424 16 E 4.9932 8.6235 120.9363 55.0429 30.8728 175.7515 17 V 4.7279 8.9590 117.2435 59.8883 36.3880 174.3949 18 E 4.7195 8.8144 120.6903 53.8754 32.3788 175.7791 19 P 4.1603 0.0000 0.0000 65.8169 31.5155 178.3973 20 S 4.3533 7.8976 110.0367 59.3174 63.7025 174.1945 21 D 4.4449 8.0745 123.3815 54.5431 41.3109 176.1853 22 T 4.7639 8.1850 113.6148 61.0241 71.4902 175.9549 23 I 3.7250 8.5148 123.0480 64.4721 36.9648 178.4911 24 E 3.9579 7.9486 119.5950 59.7118 29.3645 179.1467 25 N 4.2849 8.1386 116.1546 56.3656 38.7218 177.6059 26 V 3.5455 7.8203 119.4407 66.0104 31.6251 178.1738 27 K 4.1945 8.5074 119.3729 58.9408 31.8650 179.1862 28 A 4.0435 8.2999 121.1370 55.0279 18.2210 179.8827 29 K 4.1352 7.9984 117.2387 59.6041 32.0051 179.6917 30 I 3.7576 7.7305 120.0334 64.2034 36.9690 178.2617 31 Q 4.0198 8.1133 120.5792 59.2285 28.6780 177.8107 32 D 4.3816 7.8448 118.9409 57.4068 40.9427 178.5583 33 K 4.1674 7.8819 118.8767 58.6539 32.4110 177.1772 34 E 4.5053 8.2882 114.5931 54.9526 31.3529 176.7461 35 G 3.8906 8.6273 107.3110 45.5212 0.0000 173.4056 36 I 4.1595 7.4564 120.8879 59.0298 38.1497 174.0326 37 P 4.4038 0.0000 0.0000 61.9626 32.0918 175.4468 38 P 4.2768 0.0000 0.0000 65.8088 31.4228 178.3041 39 D 4.4434 8.0348 116.1047 55.8029 39.6397 176.9586 40 Q 4.2660 8.1958 117.9584 56.5427 29.1434 174.7967 41 Q 5.0092 7.8957 118.6006 54.4586 31.0628 174.8566 42 R 4.8029 9.0462 122.3491 54.3311 33.8496 174.3182 43 L 5.2097 8.5240 123.0254 53.0480 44.5177 175.3425 44 I 5.0723 8.7982 124.0653 59.5832 40.8606 174.4776 45 F 5.0255 9.0324 127.3977 57.1686 43.0909 174.2283 46 A 3.4257 8.7488 128.0332 53.1223 15.7955 178.1132 47 G 3.8204 8.1930 105.5033 47.1580 0.0000 174.0774 48 K 4.4253 7.8130 122.1550 54.2927 33.5375 175.0569 49 Q 4.5113 8.5262 127.8489 56.1413 29.7206 174.9848 50 L 4.1435 8.6737 127.3144 53.9439 42.9919 176.1112 51 E 4.4168 9.4552 123.8917 55.3972 30.6058 177.1602 52 D 4.3981 9.2265 124.3231 57.6841 41.0357 178.8288 53 G 3.8190 8.0139 104.6124 46.4738 0.0000 173.6297 54 R 4.4988 7.9536 120.0138 55.2145 31.3949 175.8517 55 T 4.9549 8.4596 110.2089 60.0865 70.7390 176.0566 56 L 4.0612 8.6127 122.4237 57.9675 42.0891 180.0953 57 S 4.0718 8.4909 113.5789 61.3322 62.5682 175.6013 58 D 4.2841 8.0219 119.2555 57.6032 40.5261 177.1497 59 Y 4.4721 7.6530 113.0211 57.0800 38.0878 174.6828 60 N 4.0989 8.1653 117.8634 54.3921 38.0031 174.5254 61 I 3.7583 7.9185 117.9841 60.5305 37.6063 176.3180 62 Q 4.4846 8.1980 125.0347 53.1951 30.9321 174.9133 63 K 3.8566 8.3612 117.4380 59.1616 32.3469 176.4703 64 E 3.8571 9.1936 120.5123 57.0941 27.7103 174.7945 65 S 4.5033 7.7472 115.2139 59.1295 64.1530 173.2766 66 T 5.1765 8.7554 119.3010 62.0594 70.4870 173.7859 67 L 5.0341 9.1684 126.6908 53.7208 44.6622 175.0470 68 H 5.2518 9.0320 118.5462 54.2038 31.2523 173.5144 69 L 5.0300 8.8740 125.4805 53.4764 43.4564 175.5015 70 V 4.4549 9.0106 126.7469 61.1475 34.1035 174.0316 71 L 5.0587 8.3753 126.8382 53.1820 43.5363 176.6600 72 R 4.2731 9.0852 124.4490 55.5355 29.6158 175.8379 73 L 4.6594 8.2664 123.4790 52.7953 43.8858 176.6118 74 R 4.3892 8.4659 121.1614 55.0528 31.1766 176.9730 75 G 3.7394 8.6070 110.8937 45.6254 0.0000 172.7593 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 8.16 4.47 0.00 2.07 2.23 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 2.45 2.71 0.00 2 Q 8.20 4.88 0.00 2.03 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 3 I 8.90 4.55 1.80 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.13 0.74 0.00 0.00 4 F 8.76 5.39 0.00 2.98 2.93 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 5 V 9.26 4.84 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 0.87 0.00 0.00 0.92 0.00 0.00 6 K 9.27 5.05 0.00 1.62 1.65 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.47 7.81 7 T 8.68 4.61 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 8.64 3.97 0.00 1.64 1.76 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.78 3.99 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 1.22 0.00 0.00 10 G 8.12 3.92 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 0.00 0.00 0.00 11 K 7.67 4.11 0.00 1.81 1.69 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.41 7.81 12 T 8.30 4.99 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 1.25 0.00 0.00 13 I 9.00 4.32 1.89 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 1.24 0.87 0.92 0.00 0.00 14 T 8.55 4.93 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 1.21 0.00 0.00 15 L 8.86 4.84 0.00 1.41 1.45 0.88 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.62 4.99 0.00 1.79 1.83 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 2.18 2.22 0.00 17 V 8.96 4.73 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 0.61 0.00 0.00 0.88 0.00 0.00 18 E 8.81 4.72 0.00 1.85 1.79 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 0.00 2.19 2.37 0.00 19 P 0.00 4.16 0.00 2.15 2.10 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 2.10 2.07 0.00 20 S 7.90 4.35 0.00 3.97 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 21 D 8.07 4.44 0.00 2.81 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 4.76 4.42 0.00 0.00 0.00 0.00 0.00 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 8.51 3.73 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.99 0.91 0.00 0.00 24 E 7.95 3.96 0.00 1.97 2.02 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 2.34 2.52 0.00 25 N 8.14 4.28 0.00 2.98 2.86 0.00 0.00 6.73 7.48 0.00 0.00 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 7.82 3.55 2.19 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 0.99 0.00 0.00 0.93 0.00 0.00 27 K 8.51 4.19 0.00 2.00 1.84 0.00 1.82 0.00 0.00 1.93 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.62 1.47 7.81 28 A 8.30 4.04 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 8.00 4.14 0.00 2.00 1.85 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.69 7.81 30 I 7.73 3.76 2.14 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 0.87 0.95 0.00 0.00 31 Q 8.11 4.02 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 32 D 7.84 4.38 0.00 2.90 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 7.88 4.17 0.00 1.96 1.92 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.18 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.52 7.81 34 E 8.29 4.51 0.00 2.03 1.91 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 2.23 2.36 0.00 35 G 8.63 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 36 I 7.46 4.16 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 1.47 0.76 0.91 0.00 0.00 37 P 0.00 4.40 0.00 2.38 2.18 0.00 3.72 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 2.07 1.99 0.00 38 P 0.00 4.28 0.00 2.20 2.16 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 39 D 8.03 4.44 0.00 2.76 2.81 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 40 Q 8.20 4.27 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.86 0.00 0.00 0.00 0.00 0.00 2.58 2.32 0.00 41 Q 7.90 5.01 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.53 0.00 42 R 9.05 4.80 0.00 1.67 1.78 0.00 3.37 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 43 L 8.52 5.21 0.00 1.54 1.52 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.80 5.07 1.91 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 1.11 0.60 0.94 0.00 0.00 45 F 9.03 5.03 0.00 2.95 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 46 A 8.75 3.43 0.97 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 0.00 0.00 47 G 8.19 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 4.43 0.00 1.79 1.82 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.45 1.40 7.81 49 Q 8.53 4.51 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.62 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 50 L 8.67 4.14 0.00 1.39 1.24 0.73 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.46 4.42 0.00 2.08 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 2.36 2.41 0.00 52 D 9.23 4.40 0.00 2.72 2.93 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 53 G 8.01 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 4.50 0.00 2.07 1.75 0.00 3.25 0.00 0.00 2.67 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 55 T 8.46 4.95 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 56 L 8.61 4.06 0.00 1.85 1.71 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.49 4.07 0.00 3.87 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 58 D 8.02 4.28 0.00 2.67 2.37 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 59 Y 7.65 4.47 0.00 3.00 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 60 N 8.17 4.10 0.00 2.83 2.94 0.00 0.00 7.12 7.49 0.00 0.00 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 7.92 3.76 1.82 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 0.57 0.51 0.00 0.00 62 Q 8.20 4.48 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 7.00 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 63 K 8.36 3.86 0.00 1.84 1.83 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.51 7.81 64 E 9.19 3.86 0.00 2.24 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 2.27 2.50 0.00 65 S 7.75 4.50 0.00 3.62 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 8.76 5.18 4.38 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 1.23 0.00 0.00 67 L 9.17 5.03 0.00 1.59 1.59 0.69 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.03 5.25 0.00 3.09 3.22 0.00 5.58 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.87 5.03 0.00 1.59 1.69 1.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 70 V 9.01 4.45 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 8.38 5.06 0.00 1.55 1.57 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 72 R 9.09 4.27 0.00 1.65 1.92 0.00 3.30 0.00 0.00 3.23 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 73 L 8.27 4.66 0.00 1.62 1.57 0.92 0.97 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 74 R 8.47 4.39 0.00 1.79 1.86 0.00 3.16 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 1.59 1.61 0.00 75 G 8.61 3.74 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 0.00 0.00 0.00