NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.9167 7.7574 114.8149 58.2205 64.2500 173.3098 4 G 3.9180 8.0050 111.3421 44.7433 0.0000 170.7424 5 K 4.4626 7.8296 114.7383 57.5407 35.5459 175.5927 6 K 4.4486 7.7336 118.8303 55.8123 33.5596 174.4046 7 P 4.7343 0.0000 0.0000 63.2636 32.4775 175.3872 8 V 4.5223 8.6822 119.9098 60.7232 34.9635 174.6040 9 K 4.2975 8.8302 126.8904 56.8314 32.5017 176.4366 10 V 4.0709 8.9764 125.5444 60.6217 35.1456 173.9785 11 K 4.8396 8.4426 128.5916 55.1641 33.1316 176.3840 12 T 3.4968 8.5242 118.0979 60.0701 69.8568 173.8673 13 P 3.9522 0.0000 0.0000 65.6839 31.3027 177.9156 14 A 3.9381 7.1873 118.7952 53.5292 18.2119 178.1033 15 G 3.9134 8.2109 104.2906 44.6700 0.0000 173.2576 16 K 4.6406 7.8382 118.7545 54.0294 35.0650 175.4912 17 E 4.5674 8.7047 123.5195 56.4387 30.1091 176.0761 18 A 4.7399 9.4488 125.5372 50.2783 23.5536 174.6369 19 E 5.0918 8.8087 118.6820 54.7861 31.2787 175.6672 20 L 5.0381 8.6701 124.8481 52.6270 46.0420 176.3594 21 V 4.4652 8.5037 123.0788 60.0763 31.9946 174.2303 22 P 3.7193 0.0000 0.0000 62.6221 32.1831 177.0736 23 E 4.2423 8.9491 121.5695 58.6326 30.8892 176.8152 24 K 5.0049 7.7366 117.0783 54.8609 36.8382 175.9160 25 V 5.0302 8.4361 115.7604 59.7487 35.6774 174.6075 26 W 5.1398 8.4139 119.0003 55.5709 31.8403 173.0132 27 A 4.6588 8.7448 122.8533 51.2646 19.6081 177.0753 28 L 4.7710 9.5423 125.3469 53.2728 43.6915 174.7734 29 A 4.8725 8.2270 127.3419 49.6398 22.1404 174.2833 30 P 4.6014 0.0000 0.0000 61.4632 32.6225 175.7514 31 K 4.0245 8.3102 118.8202 57.9524 32.0927 177.9512 32 G 4.0285 9.4365 112.2035 45.2704 0.0000 173.0854 33 R 4.7176 7.2847 116.9844 53.7497 33.9962 175.3586 34 K 3.9421 8.8707 122.0546 57.9966 32.8424 178.4191 35 G 3.8761 8.0396 106.2307 45.4734 0.0000 171.9478 36 V 4.5973 8.2841 112.3734 59.8599 36.9731 174.4444 37 K 4.8435 8.4207 120.4239 54.9922 34.5102 175.7111 38 I 4.5330 8.3978 124.9855 59.1685 40.4283 174.7031 39 G 3.9830 8.6291 113.2765 44.0785 0.0000 171.7335 40 L 5.0824 8.4263 126.0087 53.5867 43.5754 175.3779 41 F 4.9598 9.2996 124.9495 55.2988 42.9105 174.0839 42 K 4.6453 8.3031 121.5997 54.3238 34.2025 174.9646 43 D 4.7133 9.6283 128.8971 53.7230 41.4029 175.2796 44 P 4.2819 0.0000 0.0000 65.7858 31.4996 177.5864 45 E 4.0894 7.7431 118.0951 59.3592 29.6326 178.3786 46 T 3.9443 7.7180 108.9094 62.6570 69.4170 175.8939 47 G 3.8667 8.4589 109.7248 45.3430 0.0000 173.2696 48 K 4.6192 7.5473 119.3299 55.4770 34.2132 175.4950 49 Y 5.2501 8.6641 119.8501 57.4556 39.7058 174.8824 50 F 5.1281 9.1176 115.8655 56.2411 41.6537 173.1065 51 R 5.2698 8.7791 118.9044 55.4326 32.2548 175.1776 52 H 4.9034 9.0228 120.5910 54.2370 33.8527 172.5504 53 K 4.2806 8.5550 125.6309 57.1480 32.5159 175.8080 54 L 4.7316 8.4126 126.6398 52.1849 44.1302 174.8985 55 P 4.4379 0.0000 0.0000 62.5989 31.9460 177.5155 56 D 4.4198 8.8042 121.1553 57.1382 40.8226 177.3119 57 D 4.7550 7.9297 115.6587 52.8690 39.8502 175.5690 58 Y 3.9567 7.9246 122.2469 57.0620 39.1757 173.6131 59 P 4.4132 0.0000 0.0000 62.3723 32.2106 176.4005 60 I 4.1012 8.3364 122.5975 61.6430 37.1783 175.7016 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 3 S 7.76 4.92 0.00 4.01 4.09 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 4 G 8.00 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 5 K 7.83 4.46 0.00 1.70 1.76 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.33 7.81 6 K 7.73 4.45 0.00 1.82 1.80 0.00 1.40 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.17 1.60 7.81 7 P 0.00 4.73 0.00 2.16 2.17 0.00 3.76 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 8 V 8.68 4.52 2.20 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 0.92 0.00 0.00 0.89 0.00 0.00 9 K 8.83 4.30 0.00 1.66 1.74 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.76 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.60 1.39 7.81 10 V 8.98 4.07 1.82 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 0.84 0.00 0.00 -0.20 0.00 0.00 11 K 8.44 4.84 0.00 1.77 1.68 0.00 1.78 0.00 0.00 1.98 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.34 7.81 12 T 8.52 3.50 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 1.14 0.00 0.00 13 P 0.00 3.95 0.00 1.87 2.02 0.00 3.06 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 14 A 7.19 3.94 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 15 G 8.21 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 0.00 0.00 0.00 16 K 7.84 4.64 0.00 1.65 1.65 0.00 1.64 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.34 7.81 17 E 8.70 4.57 0.00 1.82 1.86 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 0.00 2.28 2.24 0.00 18 A 9.45 4.74 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.81 5.09 0.00 1.84 1.92 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 2.20 2.25 0.00 20 L 8.67 5.04 0.00 1.78 1.72 1.12 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.50 4.47 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.00 0.00 0.00 22 P 0.00 3.72 0.00 1.56 0.61 0.00 3.73 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.53 0.00 23 E 8.95 4.24 0.00 1.96 2.06 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 2.31 2.27 0.00 24 K 7.74 5.00 0.00 1.88 1.80 0.00 1.60 0.00 0.00 1.83 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.40 7.81 25 V 8.44 5.03 2.06 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 0.62 0.00 0.00 1.08 0.00 0.00 26 W 8.41 5.14 0.00 3.38 3.21 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 0.00 0.00 0.00 27 A 8.74 4.66 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 28 L 9.54 4.77 0.00 1.71 1.64 1.07 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.23 4.87 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.60 0.00 2.24 2.22 0.00 3.72 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 2.08 2.00 0.00 31 K 8.31 4.02 0.00 1.78 1.81 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.45 7.81 32 G 9.44 4.03 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 0.00 0.00 0.00 33 R 7.28 4.72 0.00 1.75 1.79 0.00 3.18 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 34 K 8.87 3.94 0.00 1.72 1.84 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 35 G 8.04 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 0.00 0.00 0.00 36 V 8.28 4.60 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 0.81 0.00 0.00 0.93 0.00 0.00 37 K 8.42 4.84 0.00 1.65 1.61 0.00 1.64 0.00 0.00 2.03 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.44 7.81 38 I 8.40 4.53 0.56 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.11 0.33 0.00 0.00 39 G 8.63 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.43 5.08 0.00 2.07 1.66 1.08 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 41 F 9.30 4.96 0.00 1.51 2.32 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 42 K 8.30 4.65 0.00 1.47 1.52 0.00 1.57 0.00 0.00 1.46 0.00 0.00 2.75 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.04 0.50 7.81 43 D 9.63 4.71 0.00 2.85 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 44 P 0.00 4.28 0.00 2.22 2.19 0.00 3.87 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 45 E 7.74 4.09 0.00 2.13 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 2.24 0.00 46 T 7.72 3.94 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 1.19 0.00 0.00 47 G 8.46 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.55 4.62 0.00 1.75 1.85 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.45 7.81 49 Y 8.66 5.25 0.00 2.92 2.95 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 0.00 0.00 0.00 50 F 9.12 5.13 0.00 3.14 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.78 5.27 0.00 1.83 1.93 0.00 3.37 0.00 0.00 3.38 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 52 H 9.02 4.90 0.00 3.27 2.99 0.00 5.79 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.56 4.28 0.00 1.72 1.63 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.70 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.43 7.81 54 L 8.41 4.73 0.00 1.42 1.35 0.55 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.44 0.00 2.41 2.02 0.00 3.65 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 2.24 2.16 0.00 56 D 8.80 4.42 0.00 2.68 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 57 D 7.93 4.75 0.00 2.78 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 58 Y 7.92 3.96 0.00 3.09 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 59 P 0.00 4.41 0.00 1.94 1.88 0.00 2.52 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.90 0.00 60 I 8.34 4.10 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.83 1.01 0.00 0.00