NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2049 8.1701 117.3740 63.1099 69.8042 173.3825 3 A 4.1079 8.4141 128.1003 51.6380 19.2444 174.8853 4 L 4.6989 8.4528 120.5794 52.8847 44.9479 175.2650 5 A 4.2421 8.2823 125.3825 50.8859 19.5124 177.1019 6 K 3.9018 8.4679 122.1362 55.9944 32.0989 175.2496 7 P 4.5820 0.0000 0.0000 61.3971 32.7226 175.2487 8 Q 4.1331 8.3846 119.8806 56.2946 29.1845 175.1471 9 M 4.6198 8.6456 123.1019 54.9411 34.1546 175.7328 10 R 4.6125 7.8372 116.9649 54.9854 32.9211 175.2287 11 G 4.0876 8.6053 106.1477 46.5078 0.0000 176.0424 12 L 3.9618 7.9324 120.7727 57.1687 41.7351 178.6247 13 L 3.9097 7.8543 119.6687 58.1551 42.1472 178.6839 14 A 4.0073 7.9526 120.2885 55.1123 18.3467 179.3563 15 R 3.8442 8.2733 117.4435 59.5588 30.1661 178.7517 16 R 3.9896 8.0632 118.5601 59.2655 30.0299 178.2500 17 L 3.9987 8.1482 120.1423 58.2461 42.2343 178.9617 18 R 3.9278 8.3133 118.3642 59.3354 30.1606 178.7063 19 F 4.1463 8.2360 120.1593 61.8861 39.3995 176.9200 20 H 4.1293 8.4119 115.4857 58.4275 28.4880 177.9329 21 I 3.7368 8.1754 122.4908 64.2628 36.9300 178.5585 22 V 3.6819 7.7647 119.1598 65.8721 31.3185 178.3564 23 G 3.4232 7.7179 105.0848 47.6410 0.0000 175.5959 24 A 4.0338 8.2126 123.1964 54.7224 18.3439 179.5920 25 F 4.0906 8.3062 119.3923 61.6857 39.5106 177.2490 26 M 4.0118 8.2522 118.3897 58.5838 31.7837 179.0246 27 V 3.6564 7.8188 118.1804 65.8694 31.6239 178.3422 28 S 4.1504 7.7711 114.8283 61.3668 62.5546 176.5500 29 L 3.9786 7.6868 121.8807 57.7252 41.3368 179.8325 30 G 3.6008 8.1016 105.7323 47.6645 0.0000 175.6132 31 F 4.2690 8.4613 122.8184 60.8742 39.3799 177.0851 32 A 3.9523 8.6168 120.8989 55.6998 17.9827 179.7630 33 T 3.8147 7.9165 112.9112 66.6618 68.7510 176.4636 34 F 4.3208 8.2089 122.6228 61.3880 39.4573 176.6208 35 Y 3.5844 8.3691 119.4822 60.2316 38.5083 178.1926 36 K 4.2631 8.1252 118.5621 55.8043 33.1322 177.2516 37 F 4.8297 7.4835 120.0854 59.6850 46.2424 175.4375 38 A 3.5901 7.6271 121.0099 53.1852 18.6860 177.3290 39 V 3.8116 7.2386 113.6352 63.5610 33.3938 177.2106 40 A 3.8949 7.4899 120.7006 55.3448 18.2236 179.2572 41 E 3.8526 7.8896 115.8915 59.1517 29.5867 179.2274 42 K 3.6415 7.2804 118.7676 59.5077 32.1517 178.7056 43 R 3.9037 7.8177 118.6073 59.5395 30.0927 178.6354 44 K 4.0053 7.9556 118.2902 59.2313 31.8330 179.3842 45 K 3.9478 8.4188 119.9927 59.3720 32.2040 178.5440 46 A 4.0938 8.1896 121.2913 55.7560 18.2631 179.3138 47 Y 3.8630 8.3085 114.7449 60.8547 37.8459 178.2518 48 A 4.1559 8.3675 121.8595 55.3130 18.3070 179.4691 49 D 4.3318 8.9290 117.4299 57.3711 40.9876 178.4046 50 F 4.0072 8.0212 119.8658 61.5047 39.5286 176.2920 51 Y 4.5265 7.9305 112.8831 58.7897 37.9738 177.1621 52 R 4.2058 7.6261 120.5613 58.8441 30.5510 177.8986 53 N 5.0754 7.8847 113.6878 52.7619 39.8626 174.0060 54 Y 4.0794 7.9471 119.1762 57.1783 39.9612 173.2804 55 D 4.6374 7.6581 126.0674 52.1202 42.7091 176.5304 56 S 3.9614 7.8347 124.9405 61.0435 63.0233 176.2181 57 M 4.1312 7.9302 121.8050 58.0042 31.8280 178.4072 58 K 3.9053 8.3737 119.8479 59.4333 32.3250 178.3350 59 D 4.3351 8.1121 118.3187 57.3507 41.1282 177.9979 60 F 4.3710 8.6025 121.4203 61.3038 39.3341 176.5598 61 E 3.6154 8.5742 119.2691 59.2998 29.4751 178.6680 62 E 3.8880 8.1278 118.4896 59.7144 29.3835 179.3151 63 M 3.9038 7.9282 118.6985 58.1323 31.9186 178.8481 64 R 3.8164 7.8765 119.1310 59.4582 30.0778 178.7904 65 K 3.9711 7.9451 116.7820 59.1681 32.0647 178.6077 66 A 4.1808 7.5618 119.0555 52.2324 18.5776 177.4822 67 G 3.7569 8.1096 105.8001 46.5618 0.0000 175.2980 68 I 3.7944 7.0750 115.3767 62.4849 38.1545 176.4976 69 F 4.8650 7.4399 118.8340 57.2527 39.6454 174.8779 70 Q 4.3444 8.9293 124.0807 57.4067 29.5745 176.4896 71 S 4.5165 8.1369 109.2208 57.9727 63.9154 173.6814 72 A 4.5360 7.8689 123.3937 50.8789 20.5244 176.0092 73 K 4.2491 8.7266 120.4342 57.3539 32.3589 177.0689 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 4.20 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 8.41 4.11 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 4 L 8.45 4.70 0.00 1.61 1.56 0.92 0.76 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 5 A 8.28 4.24 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 8.47 3.90 0.00 1.72 1.76 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.43 7.81 7 P 0.00 4.58 0.00 2.21 2.05 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 8 Q 8.38 4.13 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 9 M 8.65 4.62 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.51 0.00 10 R 7.84 4.61 0.00 1.77 1.81 0.00 3.35 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 11 G 8.61 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 0.00 0.00 0.00 12 L 7.93 3.96 0.00 1.70 1.73 0.92 0.52 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 13 L 7.85 3.91 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 1.54 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.95 4.01 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 8.27 3.84 0.00 2.04 2.11 0.00 3.09 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 16 R 8.06 3.99 0.00 2.05 2.17 0.00 3.19 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 17 L 8.15 4.00 0.00 1.84 1.85 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.31 3.93 0.00 2.17 2.03 0.00 3.19 0.00 0.00 3.11 7.55 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 8.24 4.15 0.00 3.04 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 20 H 8.41 4.13 0.00 3.34 3.34 0.00 5.87 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 8.18 3.74 1.92 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 1.62 0.82 0.91 0.00 0.00 22 V 7.76 3.68 2.19 0.00 0.00 0.00 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 0.89 0.00 0.00 23 G 7.72 3.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.21 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 8.31 4.09 0.00 3.16 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 26 M 8.25 4.01 0.00 2.09 2.24 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 3.04 0.00 27 V 7.82 3.66 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 1.00 0.00 0.00 0.96 0.00 0.00 28 S 7.77 4.15 0.00 3.88 3.81 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 29 L 7.69 3.98 0.00 1.75 1.60 0.33 0.76 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 30 G 8.10 3.60 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 0.00 0.00 0.00 31 F 8.46 4.27 0.00 3.14 3.29 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 32 A 8.62 3.95 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 33 T 7.92 3.81 4.35 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 1.20 0.00 0.00 34 F 8.21 4.32 0.00 3.17 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 35 Y 8.37 3.58 0.00 2.48 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 4.26 0.00 1.86 1.85 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.64 7.81 37 F 7.48 4.83 0.00 2.89 3.05 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 0.00 0.00 0.00 38 A 7.63 3.59 0.45 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 0.00 0.00 39 V 7.24 3.81 0.92 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 0.59 0.00 0.00 0.28 0.00 0.00 40 A 7.49 3.89 1.32 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 0.00 0.00 41 E 7.89 3.85 0.00 1.88 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 2.54 2.35 0.00 42 K 7.28 3.64 0.00 1.75 1.74 0.00 1.55 0.00 0.00 1.41 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.23 7.81 43 R 7.82 3.90 0.00 2.05 2.07 0.00 3.19 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 1.53 1.67 0.00 44 K 7.96 4.01 0.00 1.98 1.86 0.00 1.84 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.52 7.81 45 K 8.42 3.95 0.00 1.89 1.90 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.67 1.46 7.81 46 A 8.19 4.09 1.38 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 0.00 0.00 47 Y 8.31 3.86 0.00 3.13 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 4.16 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.93 4.33 0.00 2.61 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 4.01 0.00 2.86 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 51 Y 7.93 4.53 0.00 3.16 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 52 R 7.63 4.21 0.00 1.99 2.10 0.00 3.22 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 53 N 7.88 5.08 0.00 2.68 2.73 0.00 0.00 6.85 7.46 0.00 0.00 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 7.95 4.08 0.00 2.99 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 55 D 7.66 4.64 0.00 2.55 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 0.00 0.00 0.00 0.00 56 S 7.83 3.96 0.00 4.15 4.26 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 57 M 7.93 4.13 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.53 0.00 58 K 8.37 3.91 0.00 1.92 1.85 0.00 1.59 0.00 0.00 1.51 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.41 7.81 59 D 8.11 4.34 0.00 2.95 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 60 F 8.60 4.37 0.00 3.20 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 61 E 8.57 3.62 0.00 2.31 1.90 0.00 0.00 0.00 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 2.36 0.00 62 E 8.13 3.89 0.00 2.22 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 2.30 2.60 0.00 63 M 7.93 3.90 0.00 1.63 2.27 0.00 0.00 0.00 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.47 0.00 64 R 7.88 3.82 0.00 1.27 1.73 0.00 3.34 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.89 0.00 65 K 7.95 3.97 0.00 1.68 1.81 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.39 7.81 66 A 7.56 4.18 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 67 G 8.11 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.07 3.79 1.58 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 -0.36 0.73 0.00 0.00 69 F 7.44 4.87 0.00 3.40 3.03 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 70 Q 8.93 4.34 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 71 S 8.14 4.52 0.00 4.01 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 72 A 7.87 4.54 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.73 4.25 0.00 1.79 1.75 0.00 1.96 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.39 7.81