NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 447 K 3.9737 8.3149 119.9812 56.1107 35.1383 175.9829 448 R 4.4829 7.2967 115.0977 55.0096 28.5632 178.5172 449 T 4.0432 8.9812 124.6733 64.9799 69.8011 174.1472 450 T 4.3104 8.1141 116.9500 62.1322 66.8030 176.5468 *452 R 4.3328 8.0869 121.0400 55.9802 32.6008 178.4013 453 I 3.9200 7.7197 111.9584 63.9929 37.5132 178.3537 454 L 4.0241 7.7437 120.4424 57.4707 41.3314 179.6091 455 I 4.0029 7.7392 119.3713 64.3344 37.1939 178.3348 456 G 3.6850 8.2685 106.7436 47.9172 0.0000 175.3885 457 L 4.0408 8.3946 122.3035 57.5437 41.4940 179.5703 458 L 3.9925 7.9065 118.6474 58.0385 42.0610 178.8199 459 V 3.6923 8.0549 117.9869 66.1326 31.5753 177.7872 460 Q 4.3540 8.0622 117.7633 56.6046 30.0597 176.2005 461 N 5.0918 8.3033 117.6379 49.2355 38.8718 172.8094 462 P 4.2897 0.0000 0.0000 65.5672 31.0365 177.8696 463 E 4.1232 8.1512 116.2178 58.3204 29.6667 178.3772 464 L 4.0922 8.2933 120.3715 57.0133 41.4653 178.6541 465 A 3.9554 7.7034 120.8931 55.4667 17.9715 179.6061 466 T 3.9243 7.4932 112.6818 66.0276 68.5547 176.0478 467 L 4.3776 7.8981 119.7621 54.5858 42.1318 177.0680 468 V 3.8032 7.0087 120.1549 61.7945 31.7968 174.1172 469 P 4.5514 0.0000 0.0000 61.2772 32.0285 174.2337 470 P 4.4179 0.0000 0.0000 63.4093 31.5955 176.7388 471 L 4.8331 8.1659 121.5930 54.5149 42.7233 176.6685 472 E 4.2893 8.1675 117.6501 56.0456 30.7795 176.5566 473 N 4.2682 8.7172 113.4694 54.0407 36.2310 174.0876 474 L 4.8165 7.2523 117.9142 53.9175 43.0476 175.4534 475 D 4.7430 8.1296 116.5989 51.9596 41.2882 175.8542 476 E 3.9309 8.6716 125.8290 58.5131 29.7173 178.1537 477 N 4.9836 7.6620 113.9530 52.3714 37.4608 175.4340 478 K 4.0858 8.3516 121.0970 58.2594 32.8518 176.5483 479 L 4.5404 7.5639 120.0816 52.8020 44.1833 173.0583 480 P 4.2938 0.0000 0.0000 64.5050 31.9066 176.0691 481 G 4.1273 9.0108 110.3672 45.9711 0.0000 175.2800 482 L 4.1018 7.9253 121.1077 58.0864 41.8909 179.0282 483 G 3.6782 8.1516 105.1288 47.8167 0.0000 174.6729 484 L 3.9518 8.0388 123.0035 57.8831 41.9090 178.6681 485 F 4.1869 8.9525 120.3932 61.6148 39.3204 177.3719 486 R 3.7714 8.4796 117.8886 58.9406 29.7507 178.4929 487 E 3.9032 8.3678 119.2452 59.4308 29.6053 178.7307 488 L 3.9366 8.2602 119.2021 57.9718 41.6571 179.7372 489 V 3.3607 7.6152 118.1104 65.9395 31.1155 177.6053 490 N 4.2521 7.8714 115.7214 56.8638 39.0504 176.8089 491 T 3.9768 8.1164 117.1819 66.8282 68.5494 176.0948 492 C 3.9864 8.2632 118.8282 63.2105 28.1156 176.4562 493 L 4.0734 7.9334 118.0819 56.5695 41.2444 178.5331 494 S 4.6268 7.8795 112.9165 58.0415 65.1894 173.9617 495 Q 4.4565 8.0510 123.5582 53.3866 28.6248 171.9831 496 P 4.3562 0.0000 0.0000 64.5217 32.0995 176.2088 497 G 4.0931 9.8590 112.3312 46.3219 0.0000 173.2060 498 L 3.5815 7.2550 120.3380 52.0749 43.7038 176.3523 499 T 4.6744 8.1654 115.0271 59.8946 72.8174 175.2748 500 T 3.9464 8.4885 117.9779 66.9475 68.3315 177.0170 501 G 3.6758 7.9528 106.9581 47.8351 0.0000 175.7711 502 Q 3.9727 7.5882 119.5407 58.3724 29.1143 178.2305 503 L 4.2130 8.0806 121.4215 58.3833 42.0832 179.2068 504 L 4.1029 8.0597 118.5263 57.4749 41.3198 179.1037 505 E 3.9949 7.9601 119.2966 59.2894 29.3600 177.8158 506 H 4.6185 7.9451 113.5084 57.0755 28.7261 175.2591 507 Y 4.5502 7.4596 118.2511 57.3195 37.4851 175.6144 508 R 3.9277 7.8954 121.6651 57.4638 30.5580 177.0275 509 G 3.9020 8.8542 111.9692 46.5896 0.0000 173.0134 510 T 4.6179 7.0538 113.7834 60.9696 70.6515 175.2559 511 N 4.3158 8.7958 122.9881 56.0933 39.3448 175.4358 512 N 4.7811 8.1845 114.0117 54.7205 40.0982 176.3859 513 A 3.9728 8.1539 121.6955 55.4691 18.3069 179.1303 514 A 3.8545 7.9816 118.2841 55.6768 18.6649 179.4917 515 T 3.7028 7.8784 113.0713 67.0446 68.6941 176.6819 516 L 3.8895 8.2203 120.8003 57.3198 41.2851 179.2440 517 E 3.8796 7.7512 118.9234 58.8188 29.7173 178.0955 518 K 3.9133 7.5697 118.5638 59.7131 32.3104 178.5137 519 L 3.0646 7.0834 117.0079 56.7907 41.4063 179.3429 520 S 4.0003 7.0876 109.7064 57.9471 62.7389 173.5010 *522 W 4.9219 7.5455 118.8531 56.3896 29.7418 174.7952 523 D 4.9073 8.8506 121.0564 53.1587 40.3232 175.8235 524 D 4.9565 7.7419 119.6301 53.9800 41.7343 176.9362 525 I 3.9357 7.9022 120.1722 63.3542 37.9877 177.2554 526 A 3.9161 7.9020 122.8836 52.0721 18.6549 176.2335 527 D 4.4128 8.6996 123.1489 53.9135 41.6056 176.6407 528 K 3.9018 8.8761 127.4793 59.9354 32.1295 178.7635 529 N 4.3623 8.4171 116.5088 56.4069 38.3628 177.3897 530 I 3.8928 7.9237 120.8623 63.6306 37.1962 178.1573 531 A 3.9910 7.8508 121.4582 55.2181 18.2385 178.9686 532 E 3.9352 8.0847 116.8632 59.9488 29.5976 179.6443 533 Q 4.0027 7.9872 118.6914 59.5913 29.0909 178.5087 534 T 3.9358 8.2643 116.9760 66.3333 68.4612 176.4120 535 F 4.1794 8.5055 122.7017 61.7419 39.5112 177.1091 536 T 3.8619 8.4449 115.5262 67.0574 68.1125 176.3834 537 D 4.3734 8.1539 119.4247 57.1289 41.0894 178.8679 538 S 4.3003 8.1615 115.8994 61.4959 62.6865 176.2749 539 L 3.8672 7.7724 120.8445 58.3411 41.7444 179.4585 540 N 4.5835 8.1988 115.7657 56.2054 38.3196 176.7735 541 H 4.3353 7.8711 116.6531 56.4208 28.9413 177.2712 *543 F 4.3694 8.0881 122.0407 57.7167 41.1599 177.4315 544 D 4.3564 8.3104 120.3905 57.4867 40.5188 178.6079 545 S 4.1167 8.1354 115.6656 61.9250 62.8519 177.0692 546 L 3.9208 7.7360 120.7755 57.7261 41.3467 179.3914 547 L 4.0582 8.1419 119.1001 57.5894 41.4997 179.2196 548 E 3.8932 8.3881 119.4415 59.2869 29.5734 178.8185 549 L 3.9689 8.1221 119.2589 57.7136 41.6428 179.5001 550 R 3.8317 8.3957 119.0451 59.4196 29.9788 178.0917 551 Q 3.9614 8.2309 119.4957 59.4336 28.8946 178.5682 552 E 3.9232 8.2835 119.2254 59.4828 29.3318 178.8541 553 E 3.9034 8.0408 117.3750 59.7847 29.6689 179.3804 554 L 4.1638 8.0847 118.6198 57.7567 41.8256 179.5816 555 I 3.7600 8.1933 120.0528 63.8411 36.9231 177.0484 556 A 4.5761 8.5386 121.1548 52.0922 19.5742 178.3006 557 R 4.4475 7.8414 117.3664 57.7762 34.5905 176.5466 558 E 4.7190 8.0182 116.8569 55.8931 29.6368 176.5298 559 R 4.6139 7.7052 113.8258 55.6347 31.1568 176.3805 560 T 4.2742 8.0657 108.1848 63.8610 69.6715 175.2223 561 H 4.7143 8.3098 117.2063 54.1925 31.2940 175.5851 562 G 4.0794 9.3662 104.3309 45.6336 0.0000 172.1541 563 L 4.8456 7.7670 119.3402 52.4264 43.9611 176.4992 564 S 4.3927 8.3181 115.1311 57.7973 64.9388 174.7620 565 N 4.2606 8.6149 119.3728 57.1552 38.5783 176.4940 566 E 4.0412 8.1036 119.2900 59.3678 29.6734 178.9530 567 E 4.3199 8.0554 119.5889 58.7691 29.4449 179.4016 568 R 3.9929 8.0621 119.0050 59.2973 30.0962 178.5556 569 L 4.1178 7.8919 118.5018 57.5759 41.0419 179.1986 570 E 4.0036 8.2856 118.7293 59.3655 29.3860 179.0923 571 L 3.9903 7.9518 120.2306 57.8551 42.1494 178.6572 572 W 4.0334 8.2163 128.1705 61.0457 30.7122 178.0799 573 T 4.0562 8.5071 115.7110 66.5212 67.8449 176.4993 574 L 3.9528 8.0342 122.3559 58.1673 42.2384 178.7856 575 N 4.2352 8.3946 116.8646 56.4525 38.2401 177.4883 576 Q 3.7950 7.4295 118.1914 58.4556 28.7271 178.0363 577 E 4.1507 7.7669 118.9165 58.2462 29.7724 178.0326 578 L 4.3865 7.7842 116.8317 55.3868 42.3317 178.4779 579 A 4.1283 7.5253 120.5304 54.8549 18.5178 177.4431 580 K 4.4939 7.9890 115.7575 55.6398 37.4899 175.8984 581 K 4.1798 8.0136 122.9604 56.9727 32.6579 176.4925 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 447 K 8.31 3.97 0.00 0.79 1.45 0.00 0.61 0.00 0.00 0.96 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.84 1.00 7.81 448 R 7.30 4.48 0.00 2.04 1.05 0.00 3.32 0.00 0.00 3.26 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 449 T 8.98 4.04 4.28 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 1.21 0.00 0.00 450 T 8.11 4.31 4.22 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 1.19 0.00 0.00 *452 R 8.09 4.33 0.00 2.29 2.17 0.00 3.44 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 453 I 7.72 3.92 1.95 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.93 1.05 0.00 0.00 454 L 7.74 4.02 0.00 1.33 1.20 0.56 1.19 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 0.00 455 I 7.74 4.00 1.85 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 1.71 0.71 0.86 0.00 0.00 456 G 8.27 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 457 L 8.39 4.04 0.00 1.77 1.80 0.96 0.55 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 0.00 458 L 7.91 3.99 0.00 2.03 1.92 0.79 0.80 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 0.00 459 V 8.05 3.69 2.18 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 0.84 0.00 0.00 0.85 0.00 0.00 460 Q 8.06 4.35 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.94 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 461 N 8.30 5.09 0.00 2.70 2.89 0.00 0.00 6.58 8.24 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 0.00 462 P 0.00 4.29 0.00 2.26 2.33 0.00 3.78 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 463 E 8.15 4.12 0.00 2.27 2.25 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 2.37 2.46 0.00 464 L 8.29 4.09 0.00 1.85 1.81 0.97 1.20 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 0.00 465 A 7.70 3.96 1.34 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 0.00 0.00 466 T 7.49 3.92 4.25 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 1.21 0.00 0.00 467 L 7.90 4.38 0.00 1.77 1.75 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 468 V 7.01 3.80 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 0.89 0.00 0.00 1.07 0.00 0.00 469 P 0.00 4.55 0.00 2.11 2.00 0.00 3.82 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 470 P 0.00 4.42 0.00 2.05 2.01 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 471 L 8.17 4.83 0.00 1.62 1.67 1.11 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 472 E 8.17 4.29 0.00 2.00 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 2.39 2.27 0.00 473 N 8.72 4.27 0.00 2.85 2.89 0.00 0.00 6.73 7.85 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 0.00 474 L 7.25 4.82 0.00 1.78 1.69 1.00 0.91 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 0.00 475 D 8.13 4.74 0.00 2.65 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 0.00 476 E 8.67 3.93 0.00 2.01 2.07 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 2.46 2.38 0.00 477 N 7.66 4.98 0.00 2.74 2.86 0.00 0.00 6.92 7.01 0.00 0.00 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 K 8.35 4.09 0.00 1.88 1.87 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.38 7.81 479 L 7.56 4.54 0.00 1.69 1.45 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 480 P 0.00 4.29 0.00 2.10 2.02 0.00 4.00 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 481 G 9.01 4.13 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 0.00 0.00 0.00 482 L 7.93 4.10 0.00 1.87 1.99 1.04 0.94 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 0.00 483 G 8.15 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 484 L 8.04 3.95 0.00 1.75 1.80 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 485 F 8.95 4.19 0.00 3.14 3.27 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 0.00 486 R 8.48 3.77 0.00 2.13 1.96 0.00 3.36 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.93 0.00 487 E 8.37 3.90 0.00 2.27 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 2.35 2.60 0.00 488 L 8.26 3.94 0.00 1.60 1.58 0.86 0.45 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 0.00 489 V 7.62 3.36 1.93 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 0.87 0.00 0.00 0.19 0.00 0.00 490 N 7.87 4.25 0.00 2.85 3.01 0.00 0.00 7.29 7.41 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 0.00 491 T 8.12 3.98 4.45 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 1.25 0.00 0.00 492 C 8.26 3.99 0.00 2.90 2.99 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 0.00 0.00 0.00 493 L 7.93 4.07 0.00 1.70 1.71 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 494 S 7.88 4.63 0.00 3.99 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 0.00 495 Q 8.05 4.46 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.97 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 496 P 0.00 4.36 0.00 2.08 2.01 0.00 3.70 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 497 G 9.86 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 0.00 498 L 7.26 3.58 0.00 1.89 1.54 0.96 1.24 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 0.00 499 T 8.17 4.67 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 0.00 500 T 8.49 3.95 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 1.20 0.00 0.00 501 G 7.95 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 502 Q 7.59 3.97 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 503 L 8.08 4.21 0.00 1.93 1.82 0.85 0.61 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 0.00 504 L 8.06 4.10 0.00 1.90 1.71 0.89 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 505 E 7.96 3.99 0.00 2.14 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 2.29 2.46 0.00 506 H 7.95 4.62 0.00 3.55 3.05 0.00 5.65 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 507 Y 7.46 4.55 0.00 2.84 2.94 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 0.00 0.00 0.00 508 R 7.90 3.93 0.00 1.97 1.80 0.00 3.20 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 509 G 8.85 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 510 T 7.05 4.62 4.60 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 1.35 0.00 0.00 511 N 8.80 4.32 0.00 2.67 2.90 0.00 0.00 6.91 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 512 N 8.18 4.78 0.00 2.94 2.81 0.00 0.00 6.69 7.92 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 0.00 513 A 8.15 3.97 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 514 A 7.98 3.85 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 0.00 515 T 7.88 3.70 4.32 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 1.10 0.00 0.00 516 L 8.22 3.89 0.00 1.76 1.59 0.71 0.05 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 0.00 517 E 7.75 3.88 0.00 1.97 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 518 K 7.57 3.91 0.00 1.69 1.77 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.42 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.27 7.81 519 L 7.08 3.06 0.00 1.36 1.31 0.72 -0.68 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 0.00 520 S 7.09 4.00 0.00 3.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *522 W 7.55 4.92 0.00 3.49 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 0.00 523 D 8.85 4.91 0.00 2.75 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 524 D 7.74 4.96 0.00 2.52 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 525 I 7.90 3.94 1.94 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.85 1.02 0.00 0.00 526 A 7.90 3.92 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 0.00 527 D 8.70 4.41 0.00 2.69 2.58 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 0.00 528 K 8.88 3.90 0.00 1.81 1.84 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.50 1.52 7.81 529 N 8.42 4.36 0.00 3.04 2.87 0.00 0.00 7.02 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 0.00 530 I 7.92 3.89 1.98 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 1.46 0.58 0.93 0.00 0.00 531 A 7.85 3.99 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 0.00 532 E 8.08 3.94 0.00 2.05 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 2.32 2.31 0.00 533 Q 7.99 4.00 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 534 T 8.26 3.94 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 535 F 8.51 4.18 0.00 3.23 3.28 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 0.00 536 T 8.44 3.86 4.48 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 1.20 0.00 0.00 537 D 8.15 4.37 0.00 2.66 2.72 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 0.00 538 S 8.16 4.30 0.00 3.96 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 0.00 539 L 7.77 3.87 0.00 1.66 1.70 0.53 0.90 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 0.00 540 N 8.20 4.58 0.00 2.87 2.81 0.00 0.00 7.14 8.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 541 H 7.87 4.34 0.00 3.38 3.27 0.00 5.65 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *543 F 8.09 4.37 0.00 3.16 3.16 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 0.00 544 D 8.31 4.36 0.00 3.04 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 0.00 545 S 8.14 4.12 0.00 3.90 3.89 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 0.00 0.00 0.00 546 L 7.74 3.92 0.00 1.64 1.58 0.46 0.53 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 0.00 547 L 8.14 4.06 0.00 1.88 1.73 0.96 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 548 E 8.39 3.89 0.00 2.28 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 2.29 2.34 0.00 549 L 8.12 3.97 0.00 1.84 1.68 0.88 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 550 R 8.40 3.83 0.00 1.99 1.98 0.00 3.27 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 551 Q 8.23 3.96 0.00 2.24 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 552 E 8.28 3.92 0.00 2.19 1.96 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 2.31 2.46 0.00 553 E 8.04 3.90 0.00 2.11 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 2.34 2.45 0.00 554 L 8.08 4.16 0.00 1.85 1.71 0.94 0.71 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 0.00 555 I 8.19 3.76 2.01 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 1.46 0.90 0.00 0.00 556 A 8.54 4.58 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 0.00 557 R 7.84 4.45 0.00 2.04 1.84 0.00 3.08 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.67 0.00 558 E 8.02 4.72 0.00 1.98 1.96 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 2.27 2.38 0.00 559 R 7.71 4.61 0.00 1.85 1.97 0.00 3.02 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 560 T 8.07 4.27 4.28 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 1.24 0.00 0.00 561 H 8.31 4.71 0.00 3.12 3.30 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 562 G 9.37 4.08 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 0.00 0.00 0.00 563 L 7.77 4.85 0.00 2.00 1.62 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 564 S 8.32 4.39 0.00 4.04 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 0.00 565 N 8.61 4.26 0.00 2.85 2.86 0.00 0.00 6.89 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 566 E 8.10 4.04 0.00 2.03 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 2.40 2.34 0.00 567 E 8.06 4.32 0.00 2.24 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 2.19 0.00 568 R 8.06 3.99 0.00 2.11 2.04 0.00 3.12 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 569 L 7.89 4.12 0.00 1.89 1.72 0.89 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 570 E 8.29 4.00 0.00 2.26 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 2.37 2.36 0.00 571 L 7.95 3.99 0.00 1.95 1.74 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 572 W 8.22 4.03 0.00 3.62 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 573 T 8.51 4.06 4.38 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 1.30 0.00 0.00 574 L 8.03 3.95 0.00 2.04 1.64 0.92 0.44 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 0.00 575 N 8.39 4.24 0.00 2.70 2.63 0.00 0.00 7.05 6.92 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 0.00 576 Q 7.43 3.79 0.00 1.58 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.99 0.00 0.00 0.00 0.00 0.00 1.62 2.15 0.00 577 E 7.77 4.15 0.00 2.17 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 2.32 2.33 0.00 578 L 7.78 4.39 0.00 1.57 1.68 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 579 A 7.53 4.13 1.25 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 0.00 0.00 580 K 7.99 4.49 0.00 1.63 1.53 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.35 7.81 581 K 8.01 4.18 0.00 1.84 1.69 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.37 7.81 * Residues marked with a * may have inaccurate shift predictions.