NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 524 L 4.2423 8.1693 122.4815 54.2554 43.7231 176.2035 525 E 4.4171 7.7608 115.9887 53.8957 31.8922 172.8264 526 S 5.0084 8.6205 115.5418 56.0709 65.3980 174.5681 527 A 4.3002 9.1021 130.0229 51.9314 18.9710 176.2053 528 N 4.8640 8.8224 121.0844 52.5492 39.5052 173.6730 529 Y 4.9523 8.1294 123.0432 55.8466 41.4226 174.7039 530 E 4.2084 8.9303 119.7569 58.1169 30.4441 176.2332 531 E 5.3671 7.7974 113.0482 55.3366 32.7850 174.5875 532 V 4.4684 8.9514 119.6286 60.0283 34.9835 173.6977 533 E 4.9075 8.8526 125.2145 54.9011 30.6840 174.8528 534 L 4.8618 8.9414 127.3851 52.0540 44.9513 174.4077 535 P 5.0071 0.0000 0.0000 61.2394 32.5706 174.1026 536 P 4.5761 0.0000 0.0000 62.0920 31.5590 175.1971 537 P 4.4954 0.0000 0.0000 62.3815 32.2908 176.2418 538 S 4.4801 8.8137 115.4859 61.6084 63.6361 173.8216 539 K 5.0250 7.5441 116.3269 55.7124 35.3133 174.7174 540 G 4.2845 8.4542 106.8321 46.0808 0.0000 172.6644 541 V 4.8243 8.2188 118.7139 60.0047 35.2444 174.2889 542 I 4.9917 8.5561 123.5480 60.0842 39.3450 175.0173 543 V 5.0870 8.9354 119.6679 58.9415 35.8103 173.0573 544 P 5.0638 0.0000 0.0000 61.9414 33.3695 175.1214 545 V 4.2816 8.9286 121.5244 61.1861 34.1503 174.2218 546 V 4.3359 8.3655 128.1820 62.3613 31.7674 174.3545 547 H 4.4867 10.0507 128.6814 58.4874 29.7116 177.3829 *555 E 4.3941 7.8806 112.5368 54.8451 31.6768 177.8489 556 A 4.2839 7.9762 121.3910 53.8708 19.0410 177.0910 557 F 4.9652 8.6548 120.9554 56.5768 42.8080 173.6871 558 G 4.4594 8.3432 112.8084 44.4014 0.0000 171.7933 559 S 4.7301 8.7417 116.4876 56.5258 67.5244 172.2766 560 L 5.2764 8.4034 118.2527 52.8814 44.7477 175.6628 561 A 5.2414 9.1465 123.7020 50.1330 22.6029 174.7541 562 I 4.8913 9.0065 121.1996 59.2658 41.0832 174.2430 563 I 5.1398 8.9626 130.7525 59.7397 39.0903 174.7308 564 I 5.1451 8.6674 120.2544 58.2298 41.1934 173.3098 565 P 4.5050 0.0000 0.0000 63.7800 31.9764 175.6465 566 G 3.4922 8.8472 109.7927 44.6506 0.0000 173.4218 567 E 4.3620 7.6293 118.0860 54.8630 30.5087 176.5498 568 Y 5.6113 8.2879 125.6780 55.4715 38.7934 176.4297 569 P 4.0273 0.0000 0.0000 65.5048 32.0527 178.5211 570 E 4.7041 7.8224 117.3669 58.2322 29.5004 178.1233 571 L 4.4920 7.8011 117.2512 55.5420 42.1593 176.7842 572 L 4.6013 7.6004 119.2672 52.8226 43.0923 176.0363 573 D 4.4074 8.6716 120.8510 54.4880 41.9116 177.0932 574 A 4.1902 8.9435 127.9479 55.7413 18.3904 179.6510 575 N 4.4194 8.8859 112.2390 55.7500 38.9513 175.9201 576 Q 4.4236 8.2246 116.2037 56.0419 29.8905 175.8408 577 Q 4.8196 7.7303 119.5084 55.4268 27.6384 175.9555 578 V 4.4553 7.6316 118.5649 60.9550 34.9336 174.5367 579 L 4.2453 8.2074 129.9373 53.5737 42.9074 175.4440 580 S 4.7139 8.3764 121.9688 56.9346 66.7711 172.7708 581 H 5.2135 8.4890 117.6001 53.8613 31.9848 173.9681 582 F 4.6431 8.5873 120.1474 56.8472 39.2852 175.2265 583 A 3.9817 8.7444 122.7911 53.0709 19.4523 177.7161 584 N 4.2730 9.1682 116.0106 54.4216 36.1278 174.1191 585 D 4.4578 8.3459 113.1879 56.4870 37.9754 174.2216 586 T 5.3283 6.9204 104.0737 61.1769 69.8259 173.1399 587 G 3.9449 8.5121 107.8411 45.5407 0.0000 172.6514 588 S 5.0552 8.3925 112.0989 57.4057 66.9960 173.2641 589 V 4.9211 8.6384 119.4626 60.9307 34.5281 174.4687 590 W 4.6161 9.3743 129.1218 57.9627 30.1446 177.6032 591 G 4.3530 9.8387 112.3272 46.1552 0.0000 172.6109 592 I 4.5722 7.3906 120.1476 59.4210 38.9554 175.8796 593 G 3.8443 9.1881 114.4143 46.3682 0.0000 173.3916 594 E 4.7316 7.5844 118.0176 53.9957 33.1494 175.4886 595 D 4.4303 8.7328 122.2023 55.1724 42.0649 175.9708 596 I 3.9663 8.3545 123.1708 58.8219 38.5929 174.4940 597 P 4.8398 0.0000 0.0000 63.0037 31.7006 175.3864 598 F 5.1726 7.3211 114.6592 55.4478 41.8952 173.6232 599 E 4.6109 9.1894 118.4223 56.7845 30.2132 177.2045 600 G 3.2990 8.6615 110.3275 44.0132 0.0000 173.2750 601 D 4.9105 8.1393 118.3307 53.0908 40.2007 175.5762 602 N 3.9466 7.7593 118.7355 54.8469 35.8121 171.7495 *604 C 4.7875 7.6963 116.4657 59.6464 30.3523 172.3515 605 Y 5.4171 9.2600 120.3417 56.5971 42.2021 174.6964 606 T 5.2645 9.1098 116.4677 62.1025 72.8665 173.2890 607 A 4.6046 9.5231 129.5430 51.2694 19.2010 176.2518 608 L 4.7870 9.1518 122.5591 53.0396 44.4852 174.8641 609 P 4.7295 0.0000 0.0000 62.8009 32.4794 174.9768 610 L 4.5445 8.8152 128.5693 53.6995 41.9579 176.0023 611 K 4.2015 9.0826 129.8293 59.2039 32.9059 176.7000 612 E 5.1540 7.5219 116.4323 56.3406 32.8910 174.7097 613 I 4.7991 8.3467 125.7015 59.2876 39.5635 176.1150 614 K 4.3183 9.3335 128.2837 56.2793 32.8075 179.0223 615 R 3.9855 8.3893 118.2367 59.0609 29.3573 175.9618 616 N 4.6127 8.1079 111.8092 53.3154 37.6829 175.9683 617 G 3.9756 8.1803 108.2865 45.0339 0.0000 173.8233 618 N 4.6492 8.8105 118.5535 53.7328 39.9095 173.8709 619 I 4.6311 8.4791 116.1260 59.2195 40.5527 174.4023 620 V 4.7820 8.8276 125.5517 61.2496 33.6154 174.3867 621 V 5.2105 9.1638 127.9552 60.2596 34.4242 173.9758 622 E 5.1700 8.6654 123.1638 54.5801 33.0617 174.8024 623 K 4.4273 8.2575 119.8906 55.4061 33.3368 176.5540 624 I 4.5540 7.9678 115.1834 58.8523 40.0622 175.7566 625 F 4.3697 8.7593 125.2775 57.7809 37.8643 173.9239 626 A 4.2873 7.4714 127.5678 50.6931 21.6965 176.1827 627 G 3.8277 8.2632 109.6710 43.9394 0.0000 171.2342 628 P 4.6440 0.0000 0.0000 62.0313 32.5690 176.0885 629 I 3.7929 8.5227 121.0463 61.3997 38.3858 175.7610 *631 G 3.9579 8.3321 110.7430 45.7993 0.0000 170.8895 632 P 4.7516 0.0000 0.0000 62.6695 32.0665 177.9532 633 S 4.1254 7.9558 114.6423 61.3089 63.2722 175.4962 634 A 4.3448 7.9226 122.1407 53.1736 18.7863 179.0360 635 Q 4.1953 8.3117 116.5403 58.5322 28.8479 178.0420 636 L 3.9877 8.2563 121.7402 58.3589 42.0787 179.3760 637 G 3.5867 8.1097 104.8812 47.7802 0.0000 175.4478 638 L 4.0671 8.1272 121.3489 57.5390 41.7020 179.4879 639 S 3.8027 8.4922 113.3521 61.1841 62.1872 176.0300 640 L 4.0455 7.4262 122.5245 57.1096 41.1252 179.1878 641 L 3.8692 7.7065 118.7281 58.0852 42.0860 178.8005 642 V 4.1740 7.4118 109.0373 62.1608 31.9768 176.9794 643 N 4.7903 8.0598 114.8998 53.7594 40.3447 174.9790 644 D 4.7713 8.3696 118.5249 54.0305 43.4465 175.6549 645 I 4.3744 7.6393 119.7560 59.9940 38.1127 174.8752 646 E 4.5552 8.7663 124.4993 57.3910 31.2310 176.1860 647 D 4.7454 7.8275 115.8476 54.0179 45.1105 175.8563 648 G 3.8272 9.3605 111.0706 44.8068 0.0000 172.1215 649 V 4.6521 7.7600 116.4705 58.8827 33.2856 173.5138 650 P 4.3700 0.0000 0.0000 63.1165 31.8606 177.4756 651 R 4.0492 8.1471 123.4211 54.9178 28.6222 174.0950 *653 V 3.8632 7.5206 119.3983 62.2184 33.4175 173.4294 654 F 5.3562 8.8451 126.8183 56.1747 40.5691 175.2428 655 T 4.7945 9.9478 118.3881 58.8952 70.0975 173.1921 656 G 4.4290 8.1718 122.1855 44.9727 0.0000 170.9061 657 E 4.8152 8.1596 123.1786 55.5398 31.2951 175.1684 658 I 4.7750 8.5638 126.5891 60.0259 38.7471 175.9644 659 A 4.3505 9.0178 129.4774 51.4777 19.5553 177.9582 660 D 4.4142 8.7341 117.7676 57.3417 40.9307 178.0011 661 D 4.3974 7.9994 117.0316 54.1821 39.5314 176.3676 662 E 3.8806 8.2569 118.3348 57.2739 27.5759 174.5042 663 E 4.5815 9.0357 117.8397 58.2214 35.3479 176.1985 664 T 4.4716 8.3931 116.0255 63.5783 69.8843 173.6304 665 I 4.7747 8.3214 126.9964 60.2106 38.6889 175.1611 666 I 4.5009 8.9646 128.7426 58.7484 39.2568 173.8399 667 P 4.9619 0.0000 0.0000 62.9396 32.1479 175.2609 668 I 4.6163 8.8677 115.4120 59.1066 40.4860 174.3945 669 C 4.4268 8.4598 117.4923 60.0268 29.1565 173.7870 670 G 3.8369 8.6838 110.3259 46.8592 0.0000 176.2630 671 V 3.5925 8.0088 121.7893 64.8754 31.2521 176.7934 672 D 4.4452 8.0695 118.7938 57.0068 40.6502 178.6082 673 I 3.8103 7.6505 119.5829 63.8770 37.4045 177.7426 674 A 3.9271 8.1140 121.5098 55.2259 18.0498 179.6270 675 A 3.7316 8.3768 119.4143 55.2929 18.3935 179.8346 676 I 3.5594 7.5051 117.6617 64.4443 35.8042 178.5306 677 A 3.8560 7.9737 121.2759 54.9315 18.2252 179.4747 678 A 3.8630 7.8130 119.1980 55.8669 18.4796 179.6927 679 H 4.2513 8.3601 114.8388 58.9877 28.5061 177.8658 680 E 4.0676 8.3846 119.6530 58.3593 29.2867 177.7442 681 Q 4.4609 7.3324 117.1909 55.0844 29.0941 176.1585 682 G 3.9916 8.1602 105.1220 46.4991 0.0000 173.6883 683 L 4.8937 7.6801 118.7031 51.6343 43.8621 175.0423 684 P 4.6242 0.0000 0.0000 62.7129 32.6872 175.1467 685 L 4.5701 9.3941 124.5986 54.1614 43.7337 175.0894 686 I 4.8016 8.5537 127.4091 59.9276 40.1059 175.4348 687 G 4.2710 7.9106 111.1026 45.8078 0.0000 171.2777 688 N 5.2194 8.2247 113.1220 50.5325 37.6433 174.3547 689 Q 4.5480 7.5751 117.4812 54.5204 31.4225 172.4410 690 P 4.1978 0.0000 0.0000 64.3930 31.8108 175.6442 691 G 4.1418 9.0018 110.6583 46.3210 0.0000 174.6604 692 V 3.9480 7.1195 112.0064 61.1181 32.2427 175.6230 693 D 4.6838 8.8926 120.7983 56.2065 41.9540 177.3559 694 E 4.5897 7.9324 117.6965 54.8158 33.6273 174.1491 695 E 5.0653 8.8960 124.7223 55.1453 30.9584 176.1240 696 V 4.4628 8.9039 120.5572 60.2400 34.5610 177.0047 697 R 4.3053 8.8554 125.7554 59.4152 30.9194 172.9465 698 N 5.3507 7.8530 114.2536 50.5069 40.7365 175.2280 699 T 3.8304 8.4770 108.9514 65.0105 68.6528 176.8020 700 S 4.1431 8.0791 117.5185 61.4098 63.0144 176.4694 701 L 4.0722 8.2250 121.4279 57.4254 41.3032 179.4629 702 A 4.0606 7.9599 120.2652 55.1790 18.1897 179.4635 703 A 3.9490 8.3222 118.3693 55.5931 18.7388 179.0735 704 H 4.2861 8.1348 116.4246 59.3453 29.8679 177.3960 705 L 4.0089 7.9456 120.5723 57.8128 41.2013 179.3414 706 I 3.7740 7.6003 118.8503 64.8944 37.2272 178.2699 707 Q 4.1456 7.8133 116.6471 58.0839 28.5563 177.6921 708 T 4.3659 7.9154 109.0517 60.2301 70.4692 175.3128 709 G 4.0605 8.9857 106.7881 45.2452 0.0000 171.9489 710 T 4.3840 7.3789 107.9479 61.6216 70.2003 173.7324 711 L 4.0232 8.3758 122.1828 56.2432 42.0250 174.8734 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 524 L 8.17 4.24 0.00 1.60 1.76 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 525 E 7.76 4.42 0.00 2.29 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 2.25 2.39 0.00 526 S 8.62 5.01 0.00 3.87 3.79 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 0.00 527 A 9.10 4.30 1.37 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 0.00 0.00 528 N 8.82 4.86 0.00 2.77 2.78 0.00 0.00 6.84 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 529 Y 8.13 4.95 0.00 3.04 2.82 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 0.00 0.00 0.00 530 E 8.93 4.21 0.00 2.01 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 2.27 2.23 0.00 531 E 7.80 5.37 0.00 2.13 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 2.24 2.37 0.00 532 V 8.95 4.47 1.69 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 0.62 0.00 0.00 0.75 0.00 0.00 533 E 8.85 4.91 0.00 1.99 1.88 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 2.20 2.31 0.00 534 L 8.94 4.86 0.00 1.50 1.43 0.71 0.58 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 0.00 535 P 0.00 5.01 0.00 2.06 2.06 0.00 3.32 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.81 0.00 536 P 0.00 4.58 0.00 1.97 2.06 0.00 3.68 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 537 P 0.00 4.50 0.00 2.51 2.12 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 538 S 8.81 4.48 0.00 3.96 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 0.00 539 K 7.54 5.03 0.00 1.88 1.85 0.00 1.77 0.00 0.00 1.81 0.00 0.00 3.09 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.44 1.59 7.81 540 G 8.45 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 0.00 0.00 0.00 0.00 541 V 8.22 4.82 2.12 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 0.94 0.00 0.00 1.17 0.00 0.00 542 I 8.56 4.99 1.87 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 1.38 0.68 0.98 0.00 0.00 543 V 8.94 5.09 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 0.87 0.00 0.00 0.96 0.00 0.00 544 P 0.00 5.06 0.00 2.03 1.99 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 545 V 8.93 4.28 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 0.73 0.00 0.00 0.93 0.00 0.00 546 V 8.37 4.34 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 0.86 0.00 0.00 0.90 0.00 0.00 547 H 10.05 4.49 0.00 3.59 3.43 0.00 5.70 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *555 E 7.88 4.39 0.00 2.01 1.88 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 2.13 1.89 0.00 556 A 7.98 4.28 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 0.00 557 F 8.65 4.97 0.00 2.88 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 0.00 558 G 8.34 4.46 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 0.00 559 S 8.74 4.73 0.00 3.81 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 0.00 560 L 8.40 5.28 0.00 1.58 1.57 0.90 0.77 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 0.00 561 A 9.15 5.24 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 0.00 562 I 9.01 4.89 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.64 0.97 0.00 0.00 563 I 8.96 5.14 1.90 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 1.34 0.74 0.96 0.00 0.00 564 I 8.67 5.15 2.04 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.15 1.01 0.00 0.00 565 P 0.00 4.50 0.00 1.99 1.88 0.00 3.81 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.37 0.00 566 G 8.85 3.49 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 0.00 567 E 7.63 4.36 0.00 1.76 1.76 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 2.50 2.30 0.00 568 Y 8.29 5.61 0.00 3.00 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 0.00 569 P 0.00 4.03 0.00 1.40 0.49 0.00 3.36 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.56 0.00 570 E 7.82 4.70 0.00 2.08 2.15 0.00 0.00 0.00 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 2.24 0.00 571 L 7.80 4.49 0.00 1.83 1.81 0.72 0.60 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 0.00 572 L 7.60 4.60 0.00 1.79 1.64 1.09 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 573 D 8.67 4.41 0.00 2.87 2.59 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 0.00 574 A 8.94 4.19 1.36 0.00 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0.00 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 A 8.74 3.98 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 0.00 584 N 9.17 4.27 0.00 3.00 2.97 0.00 0.00 7.01 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 0.00 585 D 8.35 4.46 0.00 2.83 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 0.00 586 T 6.92 5.33 4.39 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 1.28 0.00 0.00 587 G 8.51 3.94 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 0.00 0.00 0.00 588 S 8.39 5.06 0.00 3.64 3.83 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 0.00 589 V 8.64 4.92 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 1.04 0.00 0.00 0.87 0.00 0.00 590 W 9.37 4.62 0.00 3.37 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 599 E 9.19 4.61 0.00 1.93 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 2.52 2.39 0.00 600 G 8.66 3.30 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 0.00 601 D 8.14 4.91 0.00 2.76 2.85 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 0.00 602 N 7.76 3.95 0.00 2.93 2.86 0.00 0.00 7.03 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *604 C 7.70 4.79 0.00 2.85 2.93 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 0.00 605 Y 9.26 5.42 0.00 2.95 2.90 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 0.00 606 T 9.11 5.26 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 607 A 9.52 4.60 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 0.00 608 L 9.15 4.79 0.00 1.63 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.21 0.00 651 R 8.15 4.05 0.00 1.76 1.84 0.00 3.26 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 *653 V 7.52 3.86 1.97 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 0.88 0.00 0.00 0.86 0.00 0.00 654 F 8.85 5.36 0.00 2.98 2.90 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 0.00 655 T 9.95 4.79 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 1.27 0.00 0.00 656 G 8.17 4.43 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 0.00 657 E 8.16 4.82 0.00 2.10 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 2.31 2.56 0.00 658 I 8.56 4.77 2.05 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.92 0.88 0.00 0.00 659 A 9.02 4.35 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 0.00 660 D 8.73 4.41 0.00 2.67 2.76 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 0.00 661 D 8.00 4.40 0.00 2.75 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 0.00 662 E 8.26 3.88 0.00 2.17 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 2.30 2.32 0.00 663 E 9.04 4.58 0.00 1.79 1.85 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 2.15 2.22 0.00 664 T 8.39 4.47 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 1.25 0.00 0.00 665 I 8.32 4.77 1.88 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 1.22 0.51 0.98 0.00 0.00 666 I 8.96 4.50 1.89 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 1.24 1.02 0.92 0.00 0.00 667 P 0.00 4.96 0.00 1.94 2.00 0.00 3.62 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 2.03 2.28 0.00 668 I 8.87 4.62 1.88 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 1.31 0.66 0.94 0.00 0.00 669 C 8.46 4.43 0.00 2.98 2.89 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 0.00 670 G 8.68 3.84 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 0.00 0.00 0.00 671 V 8.01 3.59 2.08 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 nan 0.00 0.00 0.92 0.00 0.00 672 D 8.07 4.45 0.00 2.70 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 0.00 673 I 7.65 3.81 1.96 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 1.57 0.95 0.88 0.00 0.00 674 A 8.11 3.93 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 0.00 675 A 8.38 3.73 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 0.00 676 I 7.51 3.56 1.95 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 1.45 0.69 0.88 0.00 0.00 677 A 7.97 3.86 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 0.00 678 A 7.81 3.86 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 0.00 679 H 8.36 4.25 0.00 3.15 3.33 0.00 5.65 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 0.00 680 E 8.38 4.07 0.00 2.09 2.01 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 2.34 2.47 0.00 681 Q 7.33 4.46 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.16 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 682 G 8.16 3.99 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 0.00 0.00 0.00 683 L 7.68 4.89 0.00 1.61 1.50 0.89 0.75 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 0.00 684 P 0.00 4.62 0.00 2.01 2.01 0.00 3.80 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 1.88 1.90 0.00 685 L 9.39 4.57 0.00 1.66 1.53 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 686 I 8.55 4.80 1.88 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.36 1.12 0.00 0.00 687 G 7.91 4.27 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 0.00 688 N 8.22 5.22 0.00 2.87 2.71 0.00 0.00 6.68 7.08 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 0.00 689 Q 7.58 4.55 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.46 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 690 P 0.00 4.20 0.00 2.06 2.05 0.00 3.65 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 2.03 2.10 0.00 691 G 9.00 4.14 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 0.00 692 V 7.12 3.95 2.26 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 0.73 0.00 0.00 1.01 0.00 0.00 693 D 8.89 4.68 0.00 2.64 2.71 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 0.00 694 E 7.93 4.59 0.00 1.82 1.81 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 2.28 2.25 0.00 695 E 8.90 5.07 0.00 1.86 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 2.26 2.33 0.00 696 V 8.90 4.46 2.12 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 0.75 0.00 0.00 1.04 0.00 0.00 697 R 8.86 4.31 0.00 1.50 1.93 0.00 3.23 0.00 0.00 3.39 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.20 0.00 698 N 7.85 5.35 0.00 2.90 2.89 0.00 0.00 6.04 7.22 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 0.00 699 T 8.48 3.83 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 700 S 8.08 4.14 0.00 4.05 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 0.00 701 L 8.22 4.07 0.00 1.88 1.74 0.94 1.03 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 0.00 702 A 7.96 4.06 1.37 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 0.00 0.00 703 A 8.32 3.95 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 0.00 704 H 8.13 4.29 0.00 3.41 3.52 0.00 5.80 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 705 L 7.95 4.01 0.00 2.10 1.77 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 706 I 7.60 3.77 2.09 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 1.77 0.84 0.96 0.00 0.00 707 Q 7.81 4.15 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.78 0.00 0.00 0.00 0.00 0.00 2.61 2.52 0.00 708 T 7.92 4.37 4.20 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 1.06 0.00 0.00 709 G 8.99 4.06 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 0.00 0.00 0.00 710 T 7.38 4.38 4.36 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 1.19 0.00 0.00 711 L 8.38 4.02 0.00 1.55 1.48 0.91 0.76 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 * Residues marked with a * may have inaccurate shift predictions.