NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 S 4.6228 8.3349 115.4133 58.1918 64.7745 175.3401 13 L 4.0654 7.6841 120.1694 55.9981 41.6147 177.8127 14 R 3.8098 7.7343 118.6506 59.2095 30.6846 178.1499 15 E 4.0071 8.1989 116.9464 59.7224 29.5688 178.5875 16 C 4.1962 7.7238 119.2253 61.8886 31.3850 174.2325 17 E 4.3343 8.0424 118.9732 56.8263 29.0868 177.6492 18 L 3.9943 7.6882 119.2906 58.2078 42.1754 177.3950 19 Y 4.2737 7.4454 117.6041 59.6887 39.9942 176.3105 20 V 4.0270 7.2439 113.0802 60.9481 31.9848 175.6711 21 Q 4.6233 7.1524 132.2591 56.4088 27.6928 176.0676 22 K 4.3599 8.4764 114.2470 56.6391 31.9419 176.5787 23 H 4.8071 7.6786 114.7940 55.2069 30.0773 172.9197 24 N 4.6727 7.4259 114.4672 54.8293 41.4978 175.3470 25 I 4.0627 7.3095 117.3516 62.0196 37.6687 177.7255 26 Q 3.9082 7.9393 121.2774 59.3676 28.8006 177.7177 27 A 3.8145 8.1129 119.6382 55.1406 18.1241 178.9348 28 L 4.6920 7.8061 116.6732 57.7302 42.2378 179.1658 29 L 4.0432 8.7053 119.2307 57.5171 40.9677 178.5387 30 K 3.7660 8.9489 120.0787 60.6834 31.7778 178.2889 31 D 4.5525 8.0828 119.2583 57.2617 41.2112 177.8804 32 S 4.3473 8.0643 114.0324 61.6913 62.2618 176.0295 33 I 3.6965 8.1871 115.3062 64.2551 37.1159 178.1774 34 V 3.8654 7.4137 117.9462 65.4107 31.5675 177.1744 35 Q 4.4387 8.2998 117.1240 57.8142 29.5302 177.5732 36 L 4.0911 7.8262 118.3802 56.5582 41.5806 178.3224 37 C 3.7564 8.3344 119.1933 62.9790 31.4672 175.2818 38 T 3.9243 7.4825 114.1475 63.5972 68.8816 173.7984 39 A 3.7668 8.5801 124.0801 52.8436 16.6257 177.7624 40 R 4.6014 7.2742 112.6038 54.7144 29.8756 176.0824 41 P 4.2161 0.0000 0.0000 62.6968 30.2187 176.2721 42 E 3.9632 8.3662 127.3631 59.5664 29.8590 177.3091 43 R 4.5527 7.3420 114.6689 54.9939 31.6694 172.8789 44 P 4.3955 0.0000 0.0000 65.4754 32.1050 179.2572 45 M 4.0116 8.3627 117.4435 58.0752 32.1516 177.2617 46 A 4.3601 7.9673 119.8863 53.4995 20.0250 178.8228 47 F 4.2737 8.6242 119.1807 61.5043 39.2747 176.9050 48 L 3.6688 7.8733 121.8049 58.1664 42.0820 178.8341 49 R 3.9034 8.1156 118.0760 59.6199 30.0835 177.6936 50 E 4.1172 8.2122 117.0139 58.1423 29.2280 177.5839 51 Y 3.6067 8.2784 120.3712 60.9911 38.7653 177.5231 52 F 3.7861 8.4118 120.2428 60.0285 39.4620 177.0742 53 E 3.9623 7.7865 118.9670 59.4000 29.7388 178.3943 54 K 4.0776 7.6756 119.0751 58.9670 32.1711 178.4334 55 L 3.7320 7.1248 119.3310 57.5583 41.8223 178.3963 56 E 3.9873 8.0354 119.2498 58.7262 30.9647 177.7867 57 K 4.2855 7.2364 118.7382 55.5836 31.1090 176.8322 58 E 4.2079 7.5921 116.6644 56.7037 30.1062 177.0452 59 E 3.5520 7.8894 118.0948 57.2508 29.2502 173.6244 60 A 4.6440 8.1161 120.1569 50.1748 21.1873 176.2291 61 K 4.0241 8.8553 123.0783 56.9220 32.1327 176.2664 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 12 S 8.33 4.62 0.00 3.99 4.07 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.68 4.07 0.00 1.84 1.75 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 14 R 7.73 3.81 0.00 1.83 1.98 0.00 3.30 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 15 E 8.20 4.01 0.00 2.20 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 0.00 2.45 2.38 0.00 16 C 7.72 4.20 0.00 2.87 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.04 4.33 0.00 2.29 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 0.00 2.32 2.37 0.00 18 L 7.69 3.99 0.00 1.85 1.76 0.94 0.92 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 19 Y 7.45 4.27 0.00 3.11 3.02 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 20 V 7.24 4.03 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 0.92 0.00 0.00 1.08 0.00 0.00 21 Q 7.15 4.62 0.00 2.06 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.64 7.14 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 22 K 8.48 4.36 0.00 1.55 1.67 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.38 7.81 23 H 7.68 4.81 0.00 2.96 3.17 0.00 5.62 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 7.43 4.67 0.00 2.27 2.53 0.00 0.00 7.03 8.06 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 25 I 7.31 4.06 1.85 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 1.52 0.47 0.90 0.00 0.00 26 Q 7.94 3.91 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 27 A 8.11 3.81 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 28 L 7.81 4.69 0.00 1.96 1.81 0.94 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.71 4.04 0.00 1.82 1.73 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.95 3.77 0.00 2.18 1.85 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.69 7.81 31 D 8.08 4.55 0.00 2.82 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 32 S 8.06 4.35 0.00 4.02 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 33 I 8.19 3.70 1.90 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 1.45 1.04 0.93 0.00 0.00 34 V 7.41 3.87 2.30 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 0.84 0.00 0.00 0.99 0.00 0.00 35 Q 8.30 4.44 0.00 2.74 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.79 0.00 36 L 7.83 4.09 0.00 1.70 1.66 1.08 0.76 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 37 C 8.33 3.76 0.00 3.15 2.99 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 0.00 0.00 0.00 38 T 7.48 3.92 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 1.19 0.00 0.00 39 A 8.58 3.77 1.29 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 0.00 0.00 0.00 40 R 7.27 4.60 0.00 1.82 1.88 0.00 3.00 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.52 0.00 41 P 0.00 4.22 0.00 2.12 2.01 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 2.00 1.85 0.00 42 E 8.37 3.96 0.00 1.93 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 2.31 2.32 0.00 43 R 7.34 4.55 0.00 1.89 1.81 0.00 3.36 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 44 P 0.00 4.40 0.00 2.30 2.28 0.00 3.78 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 45 M 8.36 4.01 0.00 2.04 2.22 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.64 0.00 46 A 7.97 4.36 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 47 F 8.62 4.27 0.00 3.30 3.32 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 48 L 7.87 3.67 0.00 1.76 1.66 0.77 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.12 3.90 0.00 1.91 2.15 0.00 3.25 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 50 E 8.21 4.12 0.00 2.14 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 2.30 2.31 0.00 51 Y 8.28 3.61 0.00 2.11 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 52 F 8.41 3.79 0.00 3.44 3.10 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 0.00 0.00 0.00 0.00 53 E 7.79 3.96 0.00 2.14 1.98 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 2.33 2.36 0.00 54 K 7.68 4.08 0.00 1.77 1.65 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.39 7.81 55 L 7.12 3.73 0.00 1.21 0.87 0.60 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.04 3.99 0.00 2.32 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 0.00 2.39 2.50 0.00 57 K 7.24 4.29 0.00 1.88 1.71 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.51 7.81 58 E 7.59 4.21 0.00 2.04 2.07 0.00 0.00 0.00 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 2.28 0.00 59 E 7.89 3.55 0.00 2.08 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 2.21 2.26 0.00 60 A 8.12 4.64 1.20 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 0.00 0.00 0.00 61 K 8.86 4.02 0.00 1.72 1.72 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.44 7.81