NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 437 S 4.4248 8.3349 117.0997 57.5692 64.9737 172.2879 438 H 4.9693 7.8450 114.8187 53.8591 33.0501 170.1091 439 M 5.0894 8.6473 118.3985 53.8018 35.0627 174.5093 440 C 4.1326 9.1272 126.9271 60.3999 32.3124 174.3535 441 L 4.2749 8.6691 125.1391 55.9185 41.7918 177.7369 442 V 4.0417 7.7562 117.8951 64.3508 32.6122 176.1070 443 C 4.7691 7.6520 110.7959 56.3631 30.5137 174.8364 444 S 3.8382 8.1908 115.2006 59.1166 60.8513 170.4590 445 D 4.6006 7.5565 120.9772 53.7806 42.7280 174.4696 446 E 4.5989 8.5767 122.0069 55.8651 29.8654 176.3615 447 A 4.5919 8.4540 129.0789 52.1724 19.0805 176.9310 448 S 4.6057 10.1717 111.8162 57.1146 65.1079 174.5390 449 G 3.9618 7.6054 108.2161 44.5791 0.0000 170.8188 450 C 4.5420 7.8506 118.0204 59.3208 28.3359 173.2383 451 H 4.5929 8.9775 122.6919 55.1846 31.1908 173.6668 452 Y 3.7350 9.2817 120.2710 59.2297 35.4437 171.9139 453 G 4.1038 9.1849 106.2946 44.9577 0.0000 174.1559 454 V 4.4536 7.7289 118.8564 60.4923 35.8933 174.1844 455 L 4.6571 8.4890 128.0308 55.6368 42.9144 175.6236 456 T 5.1157 8.6478 116.1900 59.8665 73.2411 173.2592 457 C 4.7418 8.6255 117.0430 57.2950 31.0789 174.9432 458 G 3.5816 8.6308 106.6572 47.8337 0.0000 176.0304 459 S 4.2195 8.0396 116.2261 61.6017 63.0061 176.3271 460 C 4.3028 8.0962 119.9561 62.0619 27.8188 175.5509 461 K 4.1470 8.1085 121.3900 60.0684 31.8064 179.2765 462 V 3.8505 7.9905 112.4302 63.9634 31.4315 178.2333 463 F 4.0845 8.6667 120.9622 61.3722 39.2657 176.7705 464 F 4.1978 8.7703 120.2467 61.4521 39.1758 177.0322 465 K 3.5220 7.9183 118.8112 59.4293 31.9888 179.0302 466 R 3.8158 8.0303 118.1917 58.8943 29.6404 178.9455 467 A 3.5668 7.4545 120.8556 54.8403 18.0123 179.9375 468 V 3.3050 6.9165 115.6084 66.3647 31.6258 177.6997 469 E 4.0609 7.7651 117.7632 58.9565 29.4641 179.1816 470 G 3.3966 8.2441 107.2150 45.8875 0.0000 172.9271 471 Q 3.0545 7.3274 121.2735 57.0531 28.0190 174.0001 472 H 4.0319 7.7153 113.9839 55.7505 29.5736 175.7368 473 N 4.5245 8.1893 120.2045 52.0737 38.2528 174.7516 474 Y 4.6437 8.0264 121.1003 57.1956 39.1340 175.2498 475 L 4.7449 8.2555 123.1283 53.1276 44.9369 175.8507 476 C 4.2133 8.8493 126.1208 59.6826 32.0439 172.8339 477 A 4.6245 8.5977 127.5995 52.0671 20.8599 177.2988 478 G 3.8587 8.3139 103.0817 45.6103 0.0000 174.7595 479 R 4.5666 8.6610 118.7742 55.6017 32.5889 175.0013 480 N 4.2721 8.6350 112.8753 54.2609 35.8380 173.9766 481 D 4.8881 7.4106 112.7497 52.7634 39.7376 175.5716 482 C 4.2511 8.1073 116.2679 60.6782 28.9438 174.0551 483 I 3.7044 8.2187 124.0517 61.5575 36.6808 176.1277 484 I 4.1815 8.2646 127.5188 59.6339 36.9733 174.0073 485 D 5.5936 7.7927 124.6866 49.9337 42.5923 176.1681 486 K 3.8316 8.7820 118.9563 59.7597 32.1540 177.9506 487 I 3.9730 7.7580 116.8521 62.8337 38.3936 176.2372 488 R 4.3457 8.4652 118.2635 56.3377 30.5668 178.3980 489 R 3.7570 7.8690 114.7542 58.7329 29.3899 178.0955 490 K 4.0009 7.8255 118.5497 58.7846 32.6527 177.5358 491 N 4.4165 8.2030 116.4162 55.7606 38.5616 174.7842 492 C 4.6334 7.4743 119.1409 55.7676 32.0610 171.9090 493 P 3.8980 0.0000 0.0000 64.5326 30.9223 177.7676 494 A 4.2050 7.8204 119.3956 55.6810 18.3220 179.3473 495 C 4.1999 8.0038 114.5843 62.6098 28.3046 176.1537 496 R 3.7929 8.2034 120.8521 59.5376 29.6042 178.0004 497 Y 4.7067 8.5539 119.6536 60.6382 38.8059 177.6682 498 R 3.7598 8.0745 119.9524 59.2627 30.2309 178.4863 499 K 3.9657 8.3444 119.7206 59.3720 32.1291 178.6428 500 C 4.0711 8.2217 117.2502 62.9071 28.2645 176.0569 501 L 3.9744 7.7971 120.4317 57.9553 40.9540 179.6732 502 Q 4.0531 8.0860 116.6475 58.1759 28.7397 177.6151 503 A 4.3087 7.6103 120.0242 52.2313 18.8998 177.9059 504 G 4.0222 7.4849 105.0900 45.1421 0.0000 174.2148 505 M 4.1642 7.4899 119.2586 55.3639 32.3207 175.5210 506 N 4.8982 8.3464 118.2297 52.8437 42.6150 174.4264 507 L 4.3101 8.9179 127.2068 57.4175 42.5692 176.9421 508 E 4.6378 8.2949 116.7809 56.3664 29.9667 176.4592 509 A 4.5989 7.6766 123.4375 50.3388 18.9433 177.4500 510 R 4.1413 8.0856 119.9877 57.4476 29.9903 174.5944 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 437 S 8.33 4.42 0.00 3.65 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 438 H 7.84 4.97 0.00 3.12 3.20 0.00 5.53 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 439 M 8.65 5.09 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 440 C 9.13 4.13 0.00 3.07 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 0.00 441 L 8.67 4.27 0.00 1.79 1.67 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 442 V 7.76 4.04 2.09 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 0.82 0.00 0.00 0.92 0.00 0.00 443 C 7.65 4.77 0.00 3.06 3.06 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 0.00 0.00 0.00 444 S 8.19 3.84 0.00 4.06 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 0.00 445 D 7.56 4.60 0.00 2.80 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 446 E 8.58 4.60 0.00 2.03 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 2.30 2.51 0.00 447 A 8.45 4.59 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 0.00 448 S 10.17 4.61 0.00 3.88 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 449 G 7.61 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 0.00 0.00 0.00 450 C 7.85 4.54 0.00 2.87 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 0.00 451 H 8.98 4.59 0.00 3.07 2.92 0.00 5.77 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 452 Y 9.28 3.73 0.00 3.16 3.26 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 0.00 453 G 9.18 4.10 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 0.00 0.00 0.00 454 V 7.73 4.45 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 0.84 0.00 0.00 0.91 0.00 0.00 455 L 8.49 4.66 0.00 1.67 1.51 0.95 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 456 T 8.65 5.12 4.29 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 1.26 0.00 0.00 457 C 8.63 4.74 0.00 3.15 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 0.00 458 G 8.63 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 459 S 8.04 4.22 0.00 4.10 4.16 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 0.00 0.00 0.00 460 C 8.10 4.30 0.00 3.06 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 461 K 8.11 4.15 0.00 1.79 1.99 0.00 1.44 0.00 0.00 1.10 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.60 7.81 462 V 7.99 3.85 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 0.82 0.00 0.00 1.13 0.00 0.00 463 F 8.67 4.08 0.00 3.26 3.39 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 0.00 464 F 8.77 4.20 0.00 3.42 3.35 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 0.00 465 K 7.92 3.52 0.00 1.74 1.95 0.00 1.41 0.00 0.00 1.53 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.46 7.81 466 R 8.03 3.82 0.00 1.96 1.87 0.00 3.35 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 467 A 7.45 3.57 0.41 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 0.00 468 V 6.92 3.30 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.23 0.00 0.00 469 E 7.77 4.06 0.00 1.86 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 0.00 2.33 2.36 0.00 470 G 8.24 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 0.00 0.00 0.00 471 Q 7.33 3.05 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.84 0.00 0.00 0.00 0.00 0.00 2.22 2.23 0.00 472 H 7.72 4.03 0.00 2.42 2.98 0.00 5.93 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 473 N 8.19 4.52 0.00 2.63 2.75 0.00 0.00 6.99 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 0.00 474 Y 8.03 4.64 0.00 3.05 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 0.00 475 L 8.26 4.74 0.00 1.57 1.55 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 476 C 8.85 4.21 0.00 3.07 2.88 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 0.00 477 A 8.60 4.62 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 478 G 8.31 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 0.00 479 R 8.66 4.57 0.00 2.03 1.85 0.00 3.26 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 480 N 8.63 4.27 0.00 2.89 2.94 0.00 0.00 6.83 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 0.00 481 D 7.41 4.89 0.00 2.71 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 482 C 8.11 4.25 0.00 2.96 2.88 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 0.00 483 I 8.22 3.70 1.85 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 1.40 0.45 0.89 0.00 0.00 484 I 8.26 4.18 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.19 0.87 0.00 0.00 485 D 7.79 5.59 0.00 2.82 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 0.00 486 K 8.78 3.83 0.00 1.72 1.87 0.00 1.82 0.00 0.00 1.62 0.00 0.00 3.13 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.42 7.81 487 I 7.76 3.97 1.86 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 1.40 0.81 0.89 0.00 0.00 488 R 8.47 4.35 0.00 1.97 1.90 0.00 3.28 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 489 R 7.87 3.76 0.00 1.74 2.13 0.00 2.98 0.00 0.00 3.10 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.45 0.00 490 K 7.83 4.00 0.00 1.68 1.83 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.43 7.81 491 N 8.20 4.42 0.00 2.83 2.84 0.00 0.00 6.68 8.43 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 0.00 492 C 7.47 4.63 0.00 2.86 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 493 P 0.00 3.90 0.00 0.49 1.68 0.00 3.82 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.86 0.00 494 A 7.82 4.21 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 0.00 495 C 8.00 4.20 0.00 2.96 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 496 R 8.20 3.79 0.00 1.62 1.62 0.00 2.48 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.34 0.00 497 Y 8.55 4.71 0.00 3.52 3.43 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 0.00 498 R 8.07 3.76 0.00 2.06 2.09 0.00 3.15 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 499 K 8.34 3.97 0.00 2.00 1.90 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.46 7.81 500 C 8.22 4.07 0.00 3.47 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 0.00 501 L 7.80 3.97 0.00 1.70 1.64 0.49 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 502 Q 8.09 4.05 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 503 A 7.61 4.31 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 504 G 7.48 4.02 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 0.00 0.00 0.00 505 M 7.49 4.16 0.00 0.65 1.05 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.27 0.00 506 N 8.35 4.90 0.00 2.68 2.69 0.00 0.00 7.13 7.20 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 0.00 507 L 8.92 4.31 0.00 1.65 1.70 0.43 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 508 E 8.29 4.64 0.00 2.03 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 2.28 2.26 0.00 509 A 7.68 4.60 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 0.00 510 R 8.09 4.14 0.00 1.77 1.76 0.00 3.44 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.50 0.00