NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2640 8.1701 117.3741 62.9185 69.9249 173.3146 3 A 3.9564 8.2872 126.6679 51.6099 18.9624 176.1632 4 L 4.1313 8.6746 124.1442 54.3791 43.3983 175.5269 5 A 4.2787 8.2542 125.7593 50.7978 19.5462 176.9757 6 K 3.9111 8.4542 121.4533 56.0205 32.3475 175.2944 7 P 4.5833 0.0000 0.0000 61.6343 32.4525 175.9422 8 Q 4.0769 8.4847 118.1900 56.9762 28.8392 176.7155 9 M 4.7697 8.5874 119.2108 54.4610 34.2857 175.4596 10 R 4.5820 7.7439 117.4054 55.2525 33.3215 175.3761 11 G 3.9263 8.7401 108.6802 47.0981 0.0000 176.0290 12 L 4.0208 7.9578 122.1460 57.2172 41.6116 178.7103 13 L 3.9584 7.8789 119.7507 58.1157 42.1958 178.7035 14 A 4.0185 7.9609 120.2826 55.0730 18.3905 179.3827 15 R 3.9430 7.9872 116.9899 59.2438 30.1653 178.6291 16 R 4.0430 8.1868 118.7652 59.2045 30.1073 178.2551 17 L 3.9680 8.1305 120.1212 58.4232 42.1373 179.1703 18 R 4.0549 8.1773 117.9843 59.0859 29.8007 178.9450 19 F 4.3599 8.1775 119.9533 61.8676 39.4432 177.0417 20 H 3.9133 8.3633 115.7394 58.4430 28.6454 177.7026 21 I 3.6988 8.3043 122.2427 64.3533 36.8457 178.5521 22 V 3.6064 7.4659 117.6230 65.9277 31.4182 177.8214 23 G 3.7162 7.4536 105.3335 48.2330 0.0000 175.0026 24 A 4.0254 8.3648 124.0355 54.8394 18.4086 179.4009 25 F 4.1876 8.2983 118.4801 61.5517 39.5812 177.0532 26 M 3.7468 8.5817 118.3296 59.2961 31.2652 178.3577 27 V 3.5812 8.2139 117.5762 66.5629 30.8788 178.2415 28 S 3.7086 8.2571 110.0728 61.5963 62.9503 176.5336 29 L 4.3342 8.0678 121.7783 58.3695 41.5375 180.3096 30 G 3.5852 8.3413 104.8141 47.7628 0.0000 175.3114 31 F 4.1708 9.6133 123.5419 60.6480 39.4552 176.6455 32 A 4.3806 9.6375 120.9870 56.0837 17.9725 179.6780 33 T 3.8510 7.2006 111.9367 66.5763 68.7069 175.7293 34 F 4.4191 8.5533 123.0001 60.6408 39.7212 176.9545 35 Y 3.6761 7.2318 118.6275 60.1169 38.8223 177.5840 36 K 4.2014 7.7367 119.8189 55.8796 31.9078 176.0050 37 F 4.7520 7.4481 122.8441 59.0959 46.2921 175.4433 38 A 2.6203 7.3481 121.9113 53.8708 17.9794 177.3204 39 V 3.8546 6.4071 114.0547 63.1988 34.6310 177.0431 40 A 3.8892 7.8714 120.7834 55.4408 18.4083 179.6338 41 E 3.9434 7.9482 116.4894 59.0708 29.5926 179.1979 42 K 3.7666 7.7874 119.3732 59.6793 32.2261 178.6951 43 R 4.1127 7.9750 118.7949 59.0183 29.9683 178.2836 44 K 3.9115 7.9641 118.4161 59.4308 32.0756 178.9950 45 K 3.9130 8.0947 119.2458 59.6658 32.2891 178.5274 46 A 3.9886 8.4887 121.3464 55.4057 18.2216 179.1870 47 Y 3.8094 8.0547 114.3477 60.7622 38.1049 177.9402 48 A 4.1705 8.2244 121.7220 55.2935 16.9384 179.3520 49 D 4.3173 8.8186 117.7347 57.4521 40.6770 178.6513 50 F 3.8754 8.0238 120.8425 61.6038 39.1984 176.3695 51 Y 4.3631 7.7337 112.6343 59.0139 37.9923 177.4751 52 R 4.1695 7.7469 120.0573 59.1055 30.3259 177.0046 53 N 4.8787 6.9998 111.4734 52.8533 38.9222 174.3886 54 Y 3.9506 7.2037 120.2711 57.6739 39.5358 175.6738 55 D 4.4689 7.6299 124.8585 51.8173 43.9227 176.3473 56 S 3.7850 8.1146 123.4454 61.4207 63.3128 176.0160 57 M 4.0774 7.9630 121.8441 58.0479 31.7478 178.1879 58 K 3.8300 8.4060 119.7190 59.7359 32.3116 178.1047 59 D 4.3896 7.8763 117.7751 57.3422 41.1546 178.0786 60 F 4.3055 8.4717 121.0818 61.2488 39.4790 176.6422 61 E 3.6950 8.7781 119.3544 59.4670 29.2482 178.3148 62 E 3.9084 8.2967 117.5067 59.9343 29.7919 179.2917 63 M 4.0323 7.6650 117.7577 58.0639 32.1594 178.3737 64 R 3.9566 8.0834 119.2183 59.7890 29.9355 178.6301 65 K 3.8760 7.7372 115.9361 58.8688 32.0688 178.2252 66 A 4.3050 7.6122 118.9307 51.8176 19.0359 178.1346 67 G 3.8634 8.1663 106.7876 45.2623 0.0000 175.8556 68 I 3.4994 7.2319 113.8514 63.2675 37.7545 176.8499 69 F 4.7033 6.6806 116.0450 57.2389 39.5042 174.9697 70 Q 4.3114 8.9060 123.9040 57.8005 29.5053 176.6073 71 S 4.4945 8.1356 108.9529 58.1563 63.7318 173.9037 72 A 4.4328 7.6973 124.4756 51.4281 20.1876 176.2725 73 K 4.2344 8.6664 120.5208 57.4764 32.3039 177.3519 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 2 T 8.17 4.26 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 1.21 0.00 0.00 3 A 8.29 3.96 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 4 L 8.67 4.13 0.00 1.65 1.61 0.92 0.80 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 5 A 8.25 4.28 1.23 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 0.00 0.00 0.00 6 K 8.45 3.91 0.00 1.72 1.75 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.43 7.81 7 P 0.00 4.58 0.00 2.21 2.03 0.00 3.83 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 1.98 1.97 0.00 8 Q 8.48 4.08 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 9 M 8.59 4.77 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.51 0.00 10 R 7.74 4.58 0.00 1.75 1.79 0.00 3.31 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 11 G 8.74 3.93 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 0.00 0.00 0.00 12 L 7.96 4.02 0.00 1.70 1.73 0.92 0.49 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 13 L 7.88 3.96 0.00 1.76 1.66 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.96 4.02 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 15 R 7.99 3.94 0.00 1.95 2.12 0.00 3.10 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 16 R 8.19 4.04 0.00 1.99 2.11 0.00 3.18 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 17 L 8.13 3.97 0.00 1.83 1.83 0.93 0.88 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 18 R 8.18 4.05 0.00 1.96 2.02 0.00 3.19 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 19 F 8.18 4.36 0.00 3.04 3.25 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 0.00 20 H 8.36 3.91 0.00 3.38 3.30 0.00 5.88 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.30 3.70 2.02 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 1.41 1.34 0.87 0.00 0.00 22 V 7.47 3.61 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 1.10 0.00 0.00 0.90 0.00 0.00 23 G 7.45 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 24 A 8.36 4.03 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.30 4.19 0.00 3.18 3.22 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 26 M 8.58 3.75 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 3.11 0.00 27 V 8.21 3.58 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 1.02 0.00 0.00 0.97 0.00 0.00 28 S 8.26 3.71 0.00 4.07 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.07 4.33 0.00 1.18 1.49 0.64 0.41 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 30 G 8.34 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.61 4.17 0.00 3.19 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.64 4.38 1.48 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 33 T 7.20 3.85 4.41 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 1.22 0.00 0.00 34 F 8.55 4.42 0.00 2.98 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.23 3.68 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.74 4.20 0.00 1.83 1.79 0.00 1.91 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.41 7.81 37 F 7.45 4.75 0.00 2.84 2.91 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 38 A 7.35 2.62 0.22 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 39 V 6.41 3.85 0.77 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 0.56 0.00 0.00 0.48 0.00 0.00 40 A 7.87 3.89 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 41 E 7.95 3.94 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 42 K 7.79 3.77 0.00 1.69 1.76 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.27 7.81 43 R 7.98 4.11 0.00 1.95 2.03 0.00 3.12 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.88 0.00 44 K 7.96 3.91 0.00 2.02 1.89 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.46 7.81 45 K 8.09 3.91 0.00 1.93 2.00 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.49 7.81 46 A 8.49 3.99 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 47 Y 8.05 3.81 0.00 3.27 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.22 4.17 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.82 4.32 0.00 2.78 2.75 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 0.00 0.00 0.00 0.00 50 F 8.02 3.88 0.00 3.01 2.74 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 51 Y 7.73 4.36 0.00 3.19 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 52 R 7.75 4.17 0.00 1.90 2.14 0.00 3.25 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 53 N 7.00 4.88 0.00 2.69 2.75 0.00 0.00 7.07 7.34 0.00 0.00 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 Y 7.20 3.95 0.00 2.77 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 55 D 7.63 4.47 0.00 2.54 2.27 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 56 S 8.11 3.78 0.00 4.22 4.21 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 57 M 7.96 4.08 0.00 2.07 2.26 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.50 0.00 58 K 8.41 3.83 0.00 2.06 1.88 0.00 1.57 0.00 0.00 1.50 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.43 7.81 59 D 7.88 4.39 0.00 2.96 2.98 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 60 F 8.47 4.31 0.00 3.23 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.78 3.69 0.00 2.39 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 2.35 2.41 0.00 62 E 8.30 3.91 0.00 2.11 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 2.51 0.00 63 M 7.67 4.03 0.00 1.70 2.37 0.00 0.00 0.00 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.50 0.00 64 R 8.08 3.96 0.00 1.19 1.68 0.00 3.33 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.90 0.00 65 K 7.74 3.88 0.00 1.88 1.82 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.43 7.81 66 A 7.61 4.31 1.23 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 0.00 0.00 0.00 67 G 8.17 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 68 I 7.23 3.50 1.57 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 -0.36 0.71 0.00 0.00 69 F 6.68 4.70 0.00 3.44 3.07 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 70 Q 8.91 4.31 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.91 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 71 S 8.14 4.49 0.00 4.03 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 72 A 7.70 4.43 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.67 4.23 0.00 1.79 1.75 0.00 1.87 0.00 0.00 1.79 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.40 7.81