NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5577 8.2076 120.4798 54.4723 43.3887 177.4869 2 Y 3.9971 7.3529 117.9167 59.5365 37.8228 176.6699 3 L 4.0449 7.7135 121.6887 57.5627 42.1634 180.6122 4 R 3.8941 7.7518 117.6929 58.9472 29.9214 178.5539 5 E 3.9556 7.8674 119.5184 59.0718 29.6134 178.6700 6 L 4.0025 8.0221 119.0906 57.8178 41.7098 179.3187 7 L 3.9474 8.1681 120.3307 57.8603 42.1009 178.6674 8 K 3.8451 8.1997 119.6931 59.7346 32.0607 178.6759 9 L 4.0188 8.2034 119.2150 57.8870 41.4536 179.3407 10 E 4.0302 8.4673 118.6806 59.4316 29.4218 179.5173 11 L 4.0222 8.0103 119.0577 57.7623 41.6903 179.3507 12 Q 4.0833 8.1039 118.0353 58.8632 28.6389 179.0471 13 G 3.7152 8.2181 106.6836 48.2513 0.0000 175.8134 14 I 4.0065 8.0982 122.9219 63.5414 37.0520 178.5091 15 K 3.9523 8.0192 120.6700 59.5870 31.9540 178.9415 16 Q 3.9209 7.8322 117.8879 59.1600 28.5282 178.3187 17 Y 4.1873 7.7928 117.7365 61.1674 37.7591 178.8875 18 R 3.9842 8.5442 119.4049 59.2821 29.6652 178.9709 19 E 3.9740 8.3992 118.1255 59.3203 29.4232 179.2863 20 A 4.0468 8.2793 120.9978 55.1897 18.2818 179.3941 21 L 3.9705 8.1243 117.9448 58.3313 42.1849 178.4534 22 E 4.0737 7.9119 118.4825 59.0785 29.5897 177.7749 23 Y 4.1516 7.5072 117.4910 58.5938 39.4641 175.3816 24 V 4.5301 7.6194 117.3644 61.0854 34.3036 174.8862 25 K 4.6019 8.1702 121.1021 55.7373 32.7965 177.3054 26 L 4.2120 7.8273 119.8251 53.8101 41.9680 176.5615 27 P 4.3021 0.0000 0.0000 65.6414 31.1633 178.9736 28 V 3.6047 7.7432 117.5921 64.7123 31.3387 178.3452 29 L 3.9519 8.0743 119.5074 57.4301 41.4507 179.2890 30 A 3.9349 7.8094 120.4331 54.7129 18.2695 179.4189 31 K 3.7893 8.2252 118.4215 59.6788 32.2263 179.0072 32 I 3.4578 7.5438 119.9683 64.2509 36.8919 178.0249 33 L 3.6663 7.6096 121.0449 58.1125 41.9718 178.5408 34 E 3.9612 8.0574 119.0657 59.3384 29.4135 178.6001 35 D 4.0804 7.6761 118.4764 57.4273 40.9158 178.3796 36 E 3.7574 8.0666 119.2094 59.6996 29.3090 179.5152 37 E 3.8975 8.2523 118.5243 59.1403 29.3975 179.5623 38 K 3.4381 7.4945 118.2319 59.3877 31.8875 179.0071 39 H 4.1666 7.8861 116.7815 59.0818 28.6656 177.9440 40 I 3.7526 7.8148 121.5192 64.2763 36.8979 178.1662 41 E 4.2791 7.7438 121.4966 58.4679 29.3908 178.9700 42 W 4.4660 8.2325 119.2495 59.8548 29.0714 178.5219 43 L 4.0894 8.5439 119.4052 57.8438 41.0804 179.3475 44 E 3.9826 8.8295 118.9188 59.6705 29.3702 179.5867 45 T 3.9982 8.0670 115.6022 66.8443 68.3786 176.5941 46 I 3.7632 7.7183 120.2403 64.3521 37.1884 177.5278 47 L 4.3924 7.9824 117.0242 54.2339 41.5512 177.2070 48 G 4.1658 7.8920 114.4696 46.0465 0.0000 173.9051 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 D 8.21 4.56 0.00 2.78 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.35 4.00 0.00 3.36 3.24 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 3 L 7.71 4.04 0.00 1.43 1.66 0.71 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.75 3.89 0.00 1.96 1.95 0.00 3.06 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 5 E 7.87 3.96 0.00 2.19 2.16 0.00 0.00 0.00 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 2.42 0.00 6 L 8.02 4.00 0.00 1.96 1.76 1.04 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.17 3.95 0.00 1.77 1.81 0.94 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.20 3.85 0.00 1.96 1.99 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.50 7.81 9 L 8.20 4.02 0.00 1.89 1.73 0.95 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.47 4.03 0.00 2.14 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 2.51 2.56 0.00 11 L 8.01 4.02 0.00 1.85 1.71 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.10 4.08 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.63 0.00 13 G 8.22 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 0.00 0.00 0.00 14 I 8.10 4.01 2.05 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 1.49 0.66 0.93 0.00 0.00 15 K 8.02 3.95 0.00 1.85 1.94 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.48 7.81 16 Q 7.83 3.92 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 17 Y 7.79 4.19 0.00 3.11 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 18 R 8.54 3.98 0.00 2.05 2.01 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 19 E 8.40 3.97 0.00 2.12 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 2.33 2.47 0.00 20 A 8.28 4.05 1.44 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 0.00 0.00 0.00 21 L 8.12 3.97 0.00 1.98 1.76 0.93 0.98 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 22 E 7.91 4.07 0.00 2.19 2.13 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 2.36 2.34 0.00 23 Y 7.51 4.15 0.00 3.03 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 24 V 7.62 4.53 2.16 0.00 0.00 0.00 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 1.17 0.00 0.00 25 K 8.17 4.60 0.00 1.72 1.76 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.32 1.47 7.81 26 L 7.83 4.21 0.00 1.74 1.64 0.96 1.06 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 27 P 0.00 4.30 0.00 2.14 2.11 0.00 3.60 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 28 V 7.74 3.60 2.08 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 0.90 0.00 0.00 0.93 0.00 0.00 29 L 8.07 3.95 0.00 1.89 1.84 1.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.81 3.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.23 3.79 0.00 1.90 1.85 0.00 1.63 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.59 7.81 32 I 7.54 3.46 1.31 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 1.28 0.55 0.05 0.00 0.00 33 L 7.61 3.67 0.00 1.65 1.78 0.93 0.72 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 34 E 8.06 3.96 0.00 2.10 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 2.21 2.27 0.00 35 D 7.68 4.08 0.00 2.73 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 0.00 0.00 0.00 36 E 8.07 3.76 0.00 2.02 2.00 0.00 0.00 0.00 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 2.56 0.00 37 E 8.25 3.90 0.00 2.02 1.89 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 2.27 2.39 0.00 38 K 7.49 3.44 0.00 1.26 0.74 0.00 1.50 0.00 0.00 1.37 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.14 1.44 7.81 39 H 7.89 4.17 0.00 3.24 3.37 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.81 3.75 1.82 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 0.61 0.90 0.00 0.00 41 E 7.74 4.28 0.00 1.90 1.88 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 2.34 2.24 0.00 42 W 8.23 4.47 0.00 3.62 3.09 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 0.00 0.00 0.00 43 L 8.54 4.09 0.00 1.86 1.77 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.83 3.98 0.00 2.22 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 2.35 2.53 0.00 45 T 8.07 4.00 4.52 0.00 0.00 0.00 0.00 0.00 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 46 I 7.72 3.76 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.71 0.91 0.00 0.00 47 L 7.98 4.39 0.00 1.66 1.67 0.91 1.15 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 48 G 7.89 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00