NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9372 8.3393 109.7356 45.5674 0.0000 173.0853 0 S 4.3221 7.2314 117.2101 57.4869 69.7000 174.0937 1 T 4.6013 7.6117 122.0375 61.9256 76.4400 175.0024 2 A 4.5701 7.8556 125.1435 51.3399 21.2340 176.4974 3 D 4.1162 7.8848 111.7218 55.7851 39.3464 174.6290 4 N 3.7551 7.4652 110.7557 54.4499 36.2133 175.9232 5 K 4.3559 7.4942 124.7434 56.3952 31.5765 178.9795 6 F 4.7732 7.7112 119.0969 56.4385 36.9717 174.7615 7 N 4.4295 8.0747 122.0580 52.8073 39.1207 175.9417 8 K 3.9948 8.6739 117.3810 60.5900 31.8101 178.5853 9 E 3.7646 7.9353 119.0144 59.0171 30.0745 177.9326 10 Q 3.9098 7.8684 119.1229 58.9404 29.2890 177.3615 11 Q 4.1247 9.2925 121.3142 59.1890 28.9835 177.6796 12 N 4.2514 7.7423 117.6547 56.6529 38.7064 176.3891 13 A 3.9692 7.9102 122.0398 55.1681 18.3437 179.0757 14 F 4.0194 8.2890 118.8904 61.4498 39.3910 177.2121 15 W 4.5088 8.7158 117.7038 60.2279 29.0498 178.2645 16 E 3.5508 8.5935 118.1370 59.3112 28.5594 179.8131 17 I 3.7058 7.7589 119.5720 64.4080 37.4349 178.0956 18 L 4.0166 8.2164 118.9893 57.7357 41.3963 178.8997 19 H 4.0858 9.3542 118.8712 59.4867 31.4696 176.9514 20 L 3.4700 7.8900 119.1271 55.4883 38.1705 174.8583 21 P 4.4115 0.0000 0.0000 65.2291 30.1002 175.1200 22 N 3.9501 8.0616 121.1662 52.3068 37.5340 174.0898 23 L 4.8462 7.7803 121.9936 52.5118 44.4719 175.3847 24 N 4.2827 8.8415 122.3603 53.6442 38.7076 175.8699 25 E 3.6280 8.9089 123.0637 59.3628 29.3552 178.6641 26 E 3.9876 8.0916 119.8458 58.9692 29.7505 178.4900 27 Q 3.7944 8.7206 119.2407 58.5247 28.5409 178.4227 28 R 4.0929 7.7987 117.7784 59.3636 30.5018 177.8031 29 N 4.4545 8.4860 117.1533 56.9907 38.8999 176.8189 30 G 3.6142 7.8844 106.7082 48.0900 0.0000 175.5442 31 F 4.5548 8.0169 119.7262 60.2683 38.7489 177.9696 32 I 3.7864 7.9029 119.7664 64.3493 36.9151 178.4032 33 Q 4.1366 8.0123 118.3628 59.1860 28.4638 178.7210 34 S 4.1596 7.8832 112.6857 61.1113 62.6263 175.7421 35 L 4.2283 8.2431 123.1365 58.1741 41.7463 178.4409 36 K 4.0583 8.6709 120.5342 59.2908 32.2547 178.0907 37 D 4.7894 8.0728 118.4465 55.8438 41.2762 176.1998 38 D 4.6872 7.9465 117.7057 51.4874 42.5394 173.7711 39 P 4.8310 0.0000 0.0000 65.5592 31.8017 178.5231 40 S 4.3200 8.1251 111.6715 59.9423 62.6083 174.6314 41 Q 4.4007 7.9018 118.0771 56.6801 28.8707 177.1754 42 S 4.0263 7.9032 116.3583 61.6647 62.5526 176.7379 43 A 3.9236 7.8235 123.5554 54.9893 18.4769 178.9621 44 N 4.2841 7.9355 115.1410 56.5433 39.0165 177.0753 45 L 3.9133 8.2946 120.8628 57.5990 41.9313 178.9642 46 L 3.6911 7.7501 119.9777 57.9691 41.8996 178.9679 47 A 3.8702 7.8863 120.4908 55.2807 18.4246 179.3072 48 E 3.8605 7.9072 116.6730 59.7239 29.5682 179.6625 49 A 3.8558 7.6317 120.8693 54.5595 18.1691 179.8778 50 K 3.8612 7.8081 117.4120 59.4615 32.2013 179.7016 51 K 3.9517 8.1679 119.1180 59.8320 32.5331 178.6447 52 L 3.9070 7.9091 121.8392 57.9687 42.0573 178.3103 53 N 4.2712 8.2236 116.7171 56.8773 38.5521 176.2886 54 D 4.3284 7.7003 118.4434 57.4133 41.0673 178.5281 55 A 4.1482 7.7589 119.7910 55.2058 18.6835 179.4488 56 Q 4.0825 8.5697 113.7866 56.9720 29.0277 176.6092 57 A 4.2953 7.2313 124.1624 51.3170 18.3365 175.2648 58 P 4.2436 0.0000 0.0000 64.3406 31.9920 176.8340 59 K 3.8998 7.3576 118.6948 56.8757 33.4264 176.4335 60 A 4.0764 8.2163 121.0799 53.2866 18.9935 176.4317 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 G 8.34 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 S 7.23 4.32 0.00 4.00 3.72 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 1 T 7.61 4.60 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 1.21 0.00 0.00 2 A 7.86 4.57 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 3 D 7.88 4.12 0.00 2.82 2.69 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 4 N 7.47 3.76 0.00 2.58 2.32 0.00 0.00 6.53 7.42 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 5 K 7.49 4.36 0.00 1.74 1.85 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.66 1.50 7.81 6 F 7.71 4.77 0.00 2.95 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.07 4.43 0.00 2.83 2.81 0.00 0.00 6.72 7.69 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 8 K 8.67 3.99 0.00 1.92 2.04 0.00 1.46 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.48 7.81 9 E 7.94 3.76 0.00 1.96 1.97 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 2.25 2.33 0.00 10 Q 7.87 3.91 0.00 2.10 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.63 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 11 Q 9.29 4.12 0.00 2.56 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.34 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 12 N 7.74 4.25 0.00 3.03 2.80 0.00 0.00 7.05 7.75 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 13 A 7.91 3.97 1.24 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 0.00 0.00 0.00 14 F 8.29 4.02 0.00 3.38 3.38 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 15 W 8.72 4.51 0.00 3.47 3.36 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 16 E 8.59 3.55 0.00 2.31 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 17 I 7.76 3.71 1.89 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 1.35 0.46 0.90 0.00 0.00 18 L 8.22 4.02 0.00 1.72 1.63 0.83 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 19 H 9.35 4.09 0.00 3.17 3.31 0.00 5.94 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.89 3.47 0.00 1.93 2.00 1.02 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.41 0.00 1.98 1.93 0.00 3.64 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.75 0.00 22 N 8.06 3.95 0.00 2.90 3.07 0.00 0.00 6.47 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.78 4.85 0.00 1.58 1.68 1.18 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.84 4.28 0.00 2.87 2.75 0.00 0.00 6.72 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 25 E 8.91 3.63 0.00 2.16 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 0.00 2.34 2.36 0.00 26 E 8.09 3.99 0.00 2.02 1.94 0.00 0.00 0.00 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 2.35 0.00 27 Q 8.72 3.79 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.39 0.00 0.00 0.00 0.00 0.00 2.27 2.47 0.00 28 R 7.80 4.09 0.00 1.93 2.04 0.00 3.26 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 29 N 8.49 4.45 0.00 2.89 2.90 0.00 0.00 7.16 7.44 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 30 G 7.88 3.61 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 0.00 0.00 0.00 31 F 8.02 4.55 0.00 3.32 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 32 I 7.90 3.79 1.91 0.00 0.00 0.67 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 1.04 0.81 0.00 0.00 33 Q 8.01 4.14 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.90 0.00 0.00 0.00 0.00 0.00 2.47 2.60 0.00 34 S 7.88 4.16 0.00 3.93 4.01 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 35 L 8.24 4.23 0.00 2.00 2.06 1.07 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.67 4.06 0.00 1.90 1.89 0.00 1.67 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.27 7.81 37 D 8.07 4.79 0.00 2.89 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 38 D 7.95 4.69 0.00 2.73 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.83 0.00 2.51 2.55 0.00 3.82 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.02 0.00 40 S 8.13 4.32 0.00 3.90 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 41 Q 7.90 4.40 0.00 2.40 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.47 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 42 S 7.90 4.03 0.00 3.72 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 43 A 7.82 3.92 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 44 N 7.94 4.28 0.00 2.86 2.85 0.00 0.00 7.22 6.68 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 45 L 8.29 3.91 0.00 1.65 1.63 1.23 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.75 3.69 0.00 1.74 1.59 0.84 0.80 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 47 A 7.89 3.87 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 48 E 7.91 3.86 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.66 0.00 49 A 7.63 3.86 0.48 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 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.81 3.86 0.00 1.99 1.82 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.54 7.81 51 K 8.17 3.95 0.00 1.98 2.05 0.00 1.34 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.64 7.81 52 L 7.91 3.91 0.00 2.11 1.82 1.01 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.22 4.27 0.00 2.84 3.08 0.00 0.00 7.41 7.86 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 54 D 7.70 4.33 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 55 A 7.76 4.15 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 56 Q 8.57 4.08 0.00 2.16 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.67 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 57 A 7.23 4.30 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.24 0.00 2.05 2.03 0.00 3.89 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 59 K 7.36 3.90 0.00 1.83 1.86 0.00 1.53 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.55 7.81 60 A 8.22 4.08 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00