NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 415 C 4.4498 8.3449 120.8269 59.7001 32.4608 173.2726 416 T 4.3161 8.3052 121.9887 62.7852 69.6117 173.6848 417 I 3.8304 8.6349 124.2163 63.9343 38.2289 176.0687 418 V 4.4786 7.1019 109.9806 58.7139 35.7458 173.1670 419 P 4.3938 0.0000 0.0000 61.9939 31.8367 177.7762 420 A 3.8704 8.3684 123.2223 54.6420 18.3522 178.1865 421 N 3.6515 7.6047 111.7298 52.3544 37.6084 174.3863 422 H 4.2442 7.5645 119.6984 56.4745 30.2134 174.5716 423 F 4.4973 8.4882 125.8278 57.3460 40.2067 174.9516 424 G 3.8596 8.8498 109.6670 43.6192 0.0000 171.3124 425 P 4.5116 0.0000 0.0000 62.4760 32.0811 176.2377 426 I 4.1461 8.0423 121.8399 59.4549 37.9664 173.9780 427 P 4.4594 0.0000 0.0000 64.3072 31.5129 176.8640 428 G 3.8965 9.1050 110.5967 45.3731 0.0000 173.7111 429 V 4.2573 7.3870 119.9030 59.8783 31.5515 173.2092 430 P 4.5624 0.0000 0.0000 61.5533 32.2044 176.5910 431 V 3.6583 8.3668 119.4969 65.1658 31.5700 176.4527 432 G 3.9808 9.1931 115.6920 45.0924 0.0000 173.9062 433 T 3.7591 7.6679 116.9561 64.1601 69.4281 173.1883 434 M 4.9939 7.8010 123.7722 53.2430 35.7281 174.9219 435 W 5.0756 9.2277 121.6974 54.9451 33.0037 176.7439 436 R 3.7192 9.0374 123.8395 58.2871 30.1649 177.0708 437 F 5.0917 7.7880 114.8561 54.9155 43.7901 176.1085 438 R 3.9867 8.7316 120.4902 59.2879 29.8862 179.7835 439 V 3.4467 7.8066 118.6942 64.8765 31.3740 178.3624 440 Q 4.1167 8.0301 118.1930 58.4927 28.8687 178.3435 441 V 2.0000 7.1448 118.9273 65.3897 31.4072 178.1123 442 S 4.6716 7.9575 114.3708 61.0200 62.0631 175.9825 443 E 3.9830 8.0106 120.3857 59.2505 29.2122 179.2053 444 S 4.2992 7.5925 113.3488 59.7028 63.2545 175.4755 445 G 3.8718 7.7076 110.5119 45.0808 0.0000 174.8067 446 V 3.4480 7.4143 119.2317 65.4654 31.7777 175.5758 447 H 4.7350 7.4624 119.9452 53.2422 30.9930 173.6158 448 R 3.7898 8.3762 126.7445 58.3101 30.2477 176.5650 449 P 4.1951 0.0000 0.0000 62.9103 31.6890 176.3352 450 H 4.4372 8.7275 120.0361 58.0168 29.1687 175.7880 451 V 4.1581 7.7127 115.1115 64.1415 33.2373 175.6628 452 A 4.1186 8.0016 121.0872 52.6819 18.7766 177.2974 453 G 4.0266 8.6671 107.1315 46.9856 0.0000 172.8862 454 I 5.2941 7.6393 119.6049 59.4946 41.6898 173.4333 455 H 4.9731 9.0238 128.0031 54.7348 32.2513 172.8161 456 G 4.0017 8.3964 111.3633 45.9161 0.0000 171.9647 457 R 4.8326 8.4558 117.9677 53.9847 33.7379 177.2782 458 S 4.3126 8.8742 116.7109 60.4307 63.2929 174.1192 459 N 5.0482 7.9200 118.2597 52.7285 37.3172 173.7880 460 D 4.6130 9.3953 116.4256 55.6180 43.5232 175.9949 461 G 4.3453 7.1455 104.9002 43.8783 0.0000 170.2934 462 A 4.5699 8.7487 123.6201 50.8350 20.2250 177.0349 463 Y 4.3422 8.2290 121.8079 60.5830 38.9549 175.6896 464 S 5.3727 7.8808 111.1734 57.8000 66.3771 173.8823 465 L 4.7731 8.9232 120.0117 54.6153 44.1105 174.4107 466 V 4.7702 8.5615 120.7269 61.1590 33.6673 174.7336 467 L 4.4886 9.0276 128.5525 53.1909 42.9017 176.9684 468 A 4.7742 9.4925 126.9358 49.4859 19.8723 175.6244 469 G 4.0775 7.3237 106.8027 46.2950 0.0000 172.4582 470 G 3.5814 7.0981 106.6924 44.7221 0.0000 172.6895 471 Y 4.4163 8.5784 118.7084 56.1906 39.1497 176.6679 472 E 3.9623 9.0043 119.2337 59.7537 29.1829 178.0226 473 D 4.7607 8.0728 115.6701 54.5036 41.6622 176.0400 474 D 4.9327 8.1257 120.1728 54.1135 41.9988 176.3344 475 V 4.4228 8.9402 121.6739 61.5611 35.3349 173.0090 476 D 5.0294 8.9109 127.9632 52.9160 41.8648 175.1372 477 N 4.5552 8.8997 123.3379 52.6527 36.7021 175.5494 478 G 2.5033 7.2912 112.1088 45.6562 0.0000 175.0856 479 N 4.8138 7.6757 118.6303 55.1119 40.6502 173.8523 480 Y 5.6447 7.3758 114.8168 56.5209 41.8958 173.6232 481 F 5.5552 9.0670 114.5336 56.2734 41.5530 173.3174 482 T 5.3453 8.9525 111.2585 61.2497 70.9634 173.1540 483 Y 5.1568 9.0201 122.3177 56.8920 42.8997 173.4088 484 T 4.9913 7.7219 120.5608 61.7316 71.5826 174.9689 485 G 4.2396 9.3608 113.7248 45.8627 0.0000 172.4072 486 S 4.8052 9.2038 114.1987 56.5231 65.5985 173.0633 487 G 3.8170 8.7095 106.6064 45.4793 0.0000 175.1384 488 G 4.3598 8.1946 105.4756 46.4831 0.0000 175.7269 *500 Q 4.4343 8.5360 119.1265 55.5702 30.3029 176.3789 501 S 4.2551 7.6218 112.6513 59.1965 63.8419 173.4498 502 S 3.7641 6.4953 112.6493 56.5664 66.0767 173.6462 503 D 4.8593 8.5629 120.7367 54.4850 41.0330 176.8345 504 Q 4.4072 8.7927 122.1572 55.9413 29.6106 175.8459 505 K 4.8978 8.5307 119.5116 54.7657 36.1717 177.0329 506 L 3.7884 8.3339 124.6640 53.8168 40.6483 174.9914 507 T 4.6901 6.7466 111.5069 59.9393 73.7674 175.6873 508 N 3.9304 8.3241 118.7472 54.7829 37.3748 177.8337 509 N 4.3720 8.6122 120.9706 56.6794 38.4768 176.5044 510 N 4.5318 8.0121 119.4994 55.7284 38.5996 177.0865 511 R 3.5951 7.7110 119.6374 59.0397 30.1266 177.9852 512 A 3.8689 7.9713 120.8484 55.5128 18.2095 179.5303 513 L 3.7843 7.9353 118.1332 57.9904 42.0660 178.9996 514 A 3.5144 7.6662 120.5490 54.7879 17.9003 179.5114 515 L 3.9260 7.8008 116.9020 57.9368 41.8876 179.1813 516 N 4.3484 7.8924 116.6535 55.1793 38.5264 175.0354 517 C 4.8706 7.3798 119.5867 59.1516 32.6517 173.8073 518 H 4.6527 8.7084 126.7594 53.8904 27.7839 173.5281 519 S 4.7523 7.2821 113.2155 56.1647 65.3899 173.2424 520 P 4.4208 0.0000 0.0000 62.1272 31.7644 176.0204 521 I 3.7463 8.3062 120.3428 61.5596 38.3833 174.6576 522 N 5.0351 9.3358 125.5719 51.6331 41.0531 174.8483 523 E 4.1816 9.1126 125.3929 58.6559 29.7467 177.4861 524 K 4.2889 8.2363 117.8865 56.0117 32.7010 176.5502 525 G 3.9824 9.9595 103.2112 46.1907 0.0000 172.2182 526 A 4.4510 7.2432 117.9670 50.8970 22.9008 175.2339 527 E 5.1125 8.5013 118.4657 54.1924 32.0770 176.1725 528 A 4.2970 8.9411 125.4406 52.3847 18.8177 177.5953 529 E 3.9061 9.3644 123.1755 58.4646 30.2169 177.0152 530 D 4.8841 8.0472 124.7044 51.5917 42.5188 175.8764 531 W 4.3749 9.0714 125.3446 59.6203 28.1334 178.6585 532 R 3.2432 6.7074 116.0608 57.9141 29.3840 177.3787 533 Q 4.0065 7.6265 115.7161 56.5796 29.0079 176.3255 534 G 3.9387 7.5030 105.6753 45.5397 0.0000 173.8610 535 K 4.2985 8.2944 120.8859 55.3070 32.4856 175.8326 536 P 4.7276 0.0000 0.0000 62.8870 32.6183 175.5913 537 V 4.7064 8.9328 121.9768 61.1756 34.3178 174.7700 538 R 4.8153 9.1020 127.7360 56.2171 31.4671 175.5764 539 V 4.8168 9.1456 123.7363 61.1367 34.2907 174.1821 540 V 5.0587 8.7436 127.7793 61.3057 34.3614 174.1889 541 R 4.9984 8.8964 126.2836 54.6018 32.3597 174.7197 542 N 5.4832 8.8969 122.7644 51.8559 41.2809 175.4274 543 M 4.7078 8.7962 123.9831 58.0558 30.7966 178.9112 544 K 4.1787 8.5534 118.3332 58.3406 32.5261 178.8153 545 G 3.8065 8.4662 106.3836 46.4465 0.0000 175.7602 546 G 3.7109 7.8991 107.5293 47.4298 0.0000 175.6869 547 K 4.1140 8.0118 119.6686 58.9689 32.1969 177.1664 548 H 4.6383 8.0807 116.7760 56.4628 30.9125 174.6207 549 S 4.5614 8.0899 113.8646 56.0209 65.0074 174.4476 550 K 3.9526 8.4509 125.7811 58.6220 32.6583 177.0722 551 Y 3.8891 7.4148 116.2756 58.3712 38.3655 175.9395 552 A 4.1625 7.6062 123.0012 51.0467 19.3632 175.5267 553 P 4.4774 0.0000 0.0000 62.2943 32.2769 177.5362 554 A 4.0360 8.5764 123.1512 54.5724 18.6039 177.8292 555 E 4.6800 7.4097 110.9494 55.3128 33.6528 177.3335 556 G 3.7141 8.5162 107.2592 46.5794 0.0000 172.1972 557 N 5.6515 9.0669 118.7643 51.6390 43.2874 173.8159 558 R 5.1008 9.0267 121.4465 55.0191 33.8281 173.1195 559 Y 5.1318 9.2428 128.3784 57.6613 39.5457 175.0589 560 D 4.6145 9.0493 126.5719 53.9053 42.3668 175.9401 561 G 3.4363 6.5159 104.1385 44.4514 0.0000 171.6501 562 I 4.9405 8.6475 119.6828 61.0488 38.4744 175.2645 563 Y 5.2834 9.5661 124.0153 56.2000 42.1062 174.6408 564 K 5.0617 9.2168 119.2153 54.6920 36.7083 176.1313 565 V 4.3459 8.4741 123.2700 62.6972 31.9847 176.5783 566 V 4.0289 9.1981 130.1222 65.5899 32.7678 175.6991 567 K 5.2133 7.9368 118.7105 55.6362 35.5842 173.8579 568 Y 5.6343 8.8214 123.8846 55.5090 41.8236 173.8954 569 W 5.5649 8.8939 117.0149 54.9685 31.8918 171.5671 570 P 4.2439 0.0000 0.0000 61.7660 32.3353 174.8943 571 E 4.6585 8.4497 119.2851 55.0470 33.4198 174.1439 572 R 4.6268 8.5422 122.3051 55.0477 31.1586 176.9196 573 G 3.8897 8.5926 114.4599 44.1328 0.0000 173.8162 574 K 3.8477 8.6217 118.0764 59.7899 32.2128 178.5214 575 S 4.0970 7.9530 113.0343 59.7344 62.9708 175.1764 576 G 3.6509 8.3337 109.1731 44.5127 0.0000 172.9386 577 F 5.1906 7.7676 118.8684 55.4997 41.7779 175.0976 578 L 4.7364 9.3079 123.1122 55.4669 42.1623 176.1077 579 V 4.8011 8.4951 114.2198 59.3568 36.0272 174.5168 580 W 4.6137 9.2897 123.6257 55.8298 30.6394 175.7901 581 R 4.9089 8.2823 122.7988 54.4562 33.3261 174.2417 582 Y 5.3151 8.8263 118.1308 56.2909 42.9623 174.0138 583 L 5.1634 9.4803 124.3705 53.5000 44.9754 175.0269 584 L 5.3035 8.5696 126.2780 52.9023 44.9076 175.5434 585 R 5.1082 9.0518 122.5076 54.2223 33.5257 174.3794 586 R 3.5218 9.1086 127.2727 56.5143 30.6464 176.2793 587 D 4.9019 9.0107 125.7948 52.1485 41.3319 172.7062 588 D 4.6930 7.9613 119.6342 52.3829 44.5548 175.3629 589 T 4.0887 8.5276 115.9540 63.3363 69.4804 174.4452 590 E 4.4023 8.2389 122.5614 54.2637 30.6499 174.5150 591 P 4.3178 0.0000 0.0000 62.1936 32.3687 176.0410 592 E 3.4718 8.0792 119.4377 55.5439 29.6182 176.7086 593 P 4.1829 0.0000 0.0000 64.8245 31.5319 177.3201 594 W 4.5398 7.3961 113.3838 57.5086 28.8965 176.9382 595 T 4.4285 7.3412 111.2644 60.6662 70.7990 175.4212 596 R 3.8682 8.4373 120.8570 59.7769 29.9828 178.3006 597 E 4.0235 8.1796 117.9270 59.3027 29.4207 179.4478 598 G 3.4608 8.0611 105.7426 47.6390 0.0000 175.9117 599 K 3.9668 8.3057 121.3754 59.2943 31.9944 179.1013 600 D 4.3415 8.3043 119.3106 57.3033 40.6363 178.9501 601 R 3.8260 8.0417 119.1164 59.7496 30.1504 178.5038 602 T 3.8100 8.1031 115.8894 66.6743 68.4496 176.4498 603 R 3.8698 8.1231 120.6352 59.5464 29.9680 178.6633 604 Q 4.0334 8.1009 116.1265 58.9327 28.7182 177.6452 605 L 4.2763 8.1802 119.2707 54.3623 41.9520 177.0369 606 G 3.9082 7.9143 106.7652 46.2860 0.0000 173.9854 607 L 4.1475 7.8920 119.8808 54.4129 42.1711 176.9291 608 T 4.6553 7.8830 111.5716 59.6025 72.0525 173.4440 609 M 4.0828 8.5666 120.6054 56.0505 32.1751 175.9754 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 415 C 8.34 4.45 0.00 3.08 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 416 T 8.31 4.32 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 1.18 0.00 0.00 417 I 8.63 3.83 1.83 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.45 0.87 0.00 0.00 418 V 7.10 4.48 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 0.48 0.00 0.00 0.79 0.00 0.00 419 P 0.00 4.39 0.00 2.33 1.91 0.00 3.56 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 2.09 2.04 0.00 420 A 8.37 3.87 1.14 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 0.00 0.00 0.00 0.00 0.00 421 N 7.60 3.65 0.00 2.81 2.76 0.00 0.00 6.00 7.90 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 0.00 422 H 7.56 4.24 0.00 3.12 3.17 0.00 5.93 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 423 F 8.49 4.50 0.00 3.12 3.01 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 0.00 0.00 0.00 0.00 424 G 8.85 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 0.00 425 P 0.00 4.51 0.00 2.17 2.19 0.00 3.77 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.25 0.00 426 I 8.04 4.15 1.82 0.00 0.00 0.84 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 1.08 0.90 0.00 0.00 427 P 0.00 4.46 0.00 2.03 2.01 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 428 G 9.11 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 0.00 429 V 7.39 4.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.01 0.00 0.00 430 P 0.00 4.56 0.00 2.29 2.20 0.00 3.80 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 431 V 8.37 3.66 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 0.67 0.00 0.00 0.84 0.00 0.00 432 G 9.19 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 0.00 433 T 7.67 3.76 3.95 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 0.17 0.00 0.00 434 M 7.80 4.99 0.00 1.75 1.75 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.48 0.00 435 W 9.23 5.08 0.00 3.25 2.92 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 0.00 436 R 9.04 3.72 0.00 1.57 1.74 0.00 2.86 0.00 0.00 2.99 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.50 0.00 437 F 7.79 5.09 0.00 3.29 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.73 3.99 0.00 1.85 1.99 0.00 3.29 0.00 0.00 3.40 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 439 V 7.81 3.45 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 0.80 0.00 0.00 0.78 0.00 0.00 440 Q 8.03 4.12 0.00 2.50 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.94 0.00 0.00 0.00 0.00 0.00 2.68 2.61 0.00 441 V 7.14 2.00 1.91 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 0.43 0.00 0.00 0.73 0.00 0.00 442 S 7.96 4.67 0.00 4.02 3.95 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 0.00 443 E 8.01 3.98 0.00 2.07 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 2.45 0.00 444 S 7.59 4.30 0.00 4.22 4.12 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 0.00 445 G 7.71 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 0.00 446 V 7.41 3.45 1.70 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 0.64 0.00 0.00 0.73 0.00 0.00 447 H 7.46 4.73 0.00 3.25 3.03 0.00 5.88 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 448 R 8.38 3.79 0.00 1.51 1.78 0.00 3.12 0.00 0.00 3.09 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 449 P 0.00 4.20 0.00 2.14 1.92 0.00 3.01 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.88 0.00 450 H 8.73 4.44 0.00 3.09 3.31 0.00 5.66 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 451 V 7.71 4.16 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 0.83 0.00 0.00 0.95 0.00 0.00 452 A 8.00 4.12 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 0.00 453 G 8.67 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 0.00 454 I 7.64 5.29 1.98 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.07 1.02 0.00 0.00 455 H 9.02 4.97 0.00 3.13 3.17 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 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1.18 0.00 0.00 541 R 8.90 5.00 0.00 1.95 1.81 0.00 3.36 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.00 542 N 8.90 5.48 0.00 2.85 2.76 0.00 0.00 6.59 8.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 543 M 8.80 4.71 0.00 2.27 2.46 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 544 K 8.55 4.18 0.00 1.81 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.50 7.81 545 G 8.47 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 0.00 0.00 0.00 546 G 7.90 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 0.00 0.00 0.00 547 K 8.01 4.11 0.00 1.70 1.87 0.00 1.76 0.00 0.00 1.60 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.53 7.81 548 H 8.08 4.64 0.00 3.01 3.41 0.00 5.87 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 549 S 8.09 4.56 0.00 3.87 3.75 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 0.00 550 K 8.45 3.95 0.00 1.53 1.64 0.00 1.20 0.00 0.00 1.42 0.00 0.00 2.50 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.79 0.21 7.81 551 Y 7.41 3.89 0.00 2.78 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 0.00 0.00 0.00 0.00 552 A 7.61 4.16 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 0.00 553 P 0.00 4.48 0.00 2.43 2.24 0.00 3.72 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 554 A 8.58 4.04 1.29 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 0.00 0.00 555 E 7.41 4.68 0.00 1.97 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.23 0.00 556 G 8.52 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 0.00 0.00 0.00 557 N 9.07 5.65 0.00 3.05 2.91 0.00 0.00 6.79 7.95 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 0.00 558 R 9.03 5.10 0.00 1.92 1.82 0.00 3.17 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 559 Y 9.24 5.13 0.00 3.61 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 0.00 560 D 9.05 4.61 0.00 2.86 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 0.00 561 G 6.52 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 562 I 8.65 4.94 2.10 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.00 1.06 0.00 0.00 563 Y 9.57 5.28 0.00 2.90 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 0.00 564 K 9.22 5.06 0.00 2.07 1.88 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.57 1.47 7.81 565 V 8.47 4.35 2.23 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 1.28 0.00 0.00 1.03 0.00 0.00 566 V 9.20 4.03 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 0.73 0.00 0.00 0.76 0.00 0.00 567 K 7.94 5.21 0.00 1.88 1.75 0.00 1.52 0.00 0.00 1.50 0.00 0.00 2.27 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.68 1.41 7.81 568 Y 8.82 5.63 0.00 2.81 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 0.00 569 W 8.89 5.56 0.00 3.30 3.20 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 0.00 570 P 0.00 4.24 0.00 1.47 0.49 0.00 3.74 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 571 E 8.45 4.66 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.23 0.00 572 R 8.54 4.63 0.00 1.65 1.84 0.00 3.14 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 573 G 8.59 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 0.00 0.00 0.00 574 K 8.62 3.85 0.00 1.86 1.97 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.45 7.81 575 S 7.95 4.10 0.00 4.20 4.12 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 0.00 576 G 8.33 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 577 F 7.77 5.19 0.00 3.01 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 0.00 578 L 9.31 4.74 0.00 1.60 1.73 0.37 0.60 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 V 8.50 4.80 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 0.59 0.00 0.00 0.81 0.00 0.00 580 W 9.29 4.61 0.00 3.38 3.01 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 0.00 0.00 0.00 0.00 581 R 8.28 4.91 0.00 0.67 0.66 0.00 3.01 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.17 0.00 582 Y 8.83 5.32 0.00 3.05 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 0.00 583 L 9.48 5.16 0.00 2.10 1.75 1.07 0.82 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 0.00 584 L 8.57 5.30 0.00 0.31 1.26 0.83 0.60 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 0.00 585 R 9.05 5.11 0.00 1.55 1.34 0.00 2.31 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.32 0.00 586 R 9.11 3.52 0.00 1.39 1.64 0.00 3.10 0.00 0.00 3.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.93 0.00 587 D 9.01 4.90 0.00 2.73 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 588 D 7.96 4.69 0.00 2.55 2.37 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 0.00 589 T 8.53 4.09 4.23 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 1.20 0.00 0.00 590 E 8.24 4.40 0.00 2.07 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 2.38 0.00 591 P 0.00 4.32 0.00 2.10 1.96 0.00 3.71 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 592 E 8.08 3.47 0.00 1.16 1.12 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 1.84 1.95 0.00 593 P 0.00 4.18 0.00 2.13 2.11 0.00 3.27 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.97 0.00 594 W 7.40 4.54 0.00 3.48 3.48 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 0.00 595 T 7.34 4.43 4.33 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 1.06 0.00 0.00 596 R 8.44 3.87 0.00 1.88 1.98 0.00 3.34 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 597 E 8.18 4.02 0.00 2.03 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 0.00 2.37 2.42 0.00 598 G 8.06 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 599 K 8.31 3.97 0.00 1.94 1.87 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.76 7.81 600 D 8.30 4.34 0.00 2.84 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 0.00 601 R 8.04 3.83 0.00 2.00 2.05 0.00 3.14 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 602 T 8.10 3.81 4.37 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 1.18 0.00 0.00 603 R 8.12 3.87 0.00 1.90 2.08 0.00 3.25 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 604 Q 8.10 4.03 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.71 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 605 L 8.18 4.28 0.00 1.61 1.74 0.91 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 606 G 7.91 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 0.00 607 L 7.89 4.15 0.00 1.60 1.51 0.91 0.57 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 0.00 608 T 7.88 4.66 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 1.22 0.00 0.00 609 M 8.57 4.08 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.56 0.00 * Residues marked with a * may have inaccurate shift predictions.