NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 501 D 4.5001 8.2233 120.4553 53.6971 43.1787 174.2960 502 F 4.9532 8.3653 120.1654 56.6095 39.9875 170.1478 503 V 4.0570 9.9830 124.1390 62.6629 32.8418 174.5676 504 L 5.1551 9.0943 128.9469 53.4523 43.2064 176.6131 505 D 4.8524 9.8973 123.8567 52.2759 40.5013 177.0132 506 N 4.4870 9.1491 117.5283 55.6437 37.0457 175.1218 507 E 4.4390 8.7697 118.1896 56.4441 29.7507 177.1147 508 G 3.9766 8.0241 105.4580 46.2012 0.0000 174.2072 509 N 4.8136 8.5608 118.0315 50.8884 40.0825 172.9929 510 P 4.5065 0.0000 0.0000 62.7196 32.5563 175.6129 511 L 4.1421 8.6256 121.9181 54.2865 42.9244 176.3320 512 E 4.4680 10.4980 124.9628 55.9764 30.8799 176.0240 513 N 4.2567 8.9009 123.7935 57.1209 38.3165 174.5398 514 G 3.9877 8.6356 114.4069 44.9848 0.0000 172.7661 515 G 4.0261 8.1609 108.1446 45.4919 0.0000 172.4956 516 T 5.1818 7.8909 115.2983 61.9506 71.4982 173.2750 517 Y 4.9676 9.2935 123.7002 56.2505 42.5989 174.3429 518 Y 5.0963 8.7066 119.3918 57.7452 39.7622 175.3000 519 I 4.8465 8.4095 124.4027 59.9198 36.8586 175.0543 520 L 4.5677 8.5974 126.5030 54.4595 43.4678 175.6133 521 S 5.0304 8.3017 114.7463 56.6157 64.5073 173.9324 522 D 4.3687 8.3743 122.7339 56.2401 39.3857 177.1770 523 I 3.7516 7.6594 116.4241 60.1177 37.5659 176.4895 524 T 3.8234 8.4722 120.4178 63.7864 67.5799 174.6328 525 A 3.8562 7.9100 123.4518 55.0079 18.2333 176.8940 526 F 5.4355 7.3645 114.5559 56.1427 42.1565 173.6341 527 G 4.5127 8.1694 110.6294 46.4901 0.0000 172.8766 528 G 4.3937 9.0125 111.0871 44.4842 0.0000 173.1665 529 I 4.9153 7.9920 121.1277 61.3856 38.4020 175.7147 530 R 4.3790 8.7341 119.7505 55.3449 32.9213 173.5136 531 A 4.6453 7.2121 121.7908 51.4636 20.0189 176.6366 532 A 4.7534 8.4062 121.3402 49.6454 23.1731 174.0442 533 P 4.9937 0.0000 0.0000 63.1435 32.3367 175.7011 534 T 4.6343 9.2070 115.9224 61.2834 72.3312 176.5056 535 G 3.9286 9.0608 117.2964 46.8941 0.0000 175.3843 536 N 5.0058 9.2041 115.2431 52.5170 38.2396 174.6717 537 E 4.6483 7.8610 118.0587 54.3883 32.3192 178.1391 538 R 4.0255 8.7165 120.5329 57.7404 30.1898 177.0848 539 C 4.9620 7.2039 116.5490 54.1596 42.5778 172.7290 540 P 4.5905 0.0000 0.0000 62.9787 29.5187 175.6563 541 L 4.6869 8.4022 123.3987 55.0466 44.1553 175.4294 542 T 4.6330 7.9162 117.7448 61.3659 70.5948 173.9476 543 V 3.6091 8.0654 127.7456 63.8036 32.5463 175.2963 544 V 4.8561 9.2622 123.4527 59.4465 35.3902 174.1778 545 Q 4.9550 8.0164 121.8582 54.4932 31.1756 175.6886 546 S 4.4663 8.8896 122.5135 58.9629 64.0903 174.9579 547 R 4.9642 8.5312 117.5648 56.0672 31.6963 175.8445 548 N 4.5891 8.0272 118.1756 52.8382 39.3654 175.2102 549 E 4.5147 8.7807 124.1395 57.5466 29.6696 177.2022 550 L 4.4096 7.6501 117.8404 54.5911 43.5856 175.9133 551 D 4.5158 7.6622 119.0972 53.0427 40.8262 176.2881 552 K 4.1214 8.4994 125.2623 56.0736 32.4463 178.7123 553 G 3.8475 7.9274 108.0202 46.0671 0.0000 173.3111 554 I 4.5282 8.7650 123.1374 59.5764 39.6954 176.1220 555 G 4.1726 8.8745 111.6524 46.5870 0.0000 172.6361 556 T 5.0641 9.2612 120.8732 61.8198 72.0537 173.7490 557 I 5.4005 8.4057 126.6589 58.7836 37.7583 174.9287 558 I 3.9648 7.9514 127.3898 61.2688 38.5952 174.8122 559 S 4.9949 7.6823 116.1732 58.0149 66.3747 174.8501 560 S 5.1291 8.9112 115.5139 54.8370 64.6438 172.6416 561 P 4.2870 0.0000 0.0000 65.1372 31.3514 176.7437 562 Y 4.5571 7.8473 117.6332 58.2219 37.7805 176.8678 563 R 4.1498 8.6661 121.8816 56.7497 29.9112 176.4629 564 I 3.7659 6.9580 118.8533 61.1684 38.6860 175.5141 565 R 3.9074 8.1566 122.7169 57.4860 31.1330 175.5455 566 F 5.1136 7.3664 115.2132 55.2702 42.6936 174.9410 567 I 4.1670 8.3769 120.8907 60.4402 38.0883 175.0743 568 A 5.3902 8.5404 129.5169 49.7888 21.2861 176.0389 569 E 4.1135 8.5410 120.4212 57.9325 30.0960 177.7104 570 G 4.0020 8.4995 109.7517 45.4703 0.0000 173.0665 571 H 4.8753 7.4961 116.9133 53.2995 30.2112 173.4087 572 P 4.4687 0.0000 0.0000 63.0330 31.7114 175.2197 573 L 5.1801 9.5430 122.7498 52.9289 45.9453 175.5319 574 S 4.9443 9.4975 115.5018 56.8074 65.1913 172.5842 575 L 4.1431 7.9844 127.6023 53.2193 43.5215 175.9119 576 K 4.7340 7.7868 122.6997 54.6004 35.7260 175.3310 577 F 4.9952 8.7804 126.8035 57.7638 39.4409 174.9948 578 D 4.7555 9.3379 123.3587 53.7630 42.2015 176.1208 579 S 4.3536 8.8139 118.5934 59.0111 63.2905 174.1980 580 F 4.9749 8.2338 118.4612 54.3416 40.7707 174.3260 581 A 3.9498 8.7258 125.7279 52.6133 18.4802 177.2472 582 V 4.4632 7.7841 115.4156 59.0235 35.9144 175.0111 583 I 4.1342 7.8142 113.9850 60.3414 38.4005 176.8468 584 M 4.2822 8.4444 120.1777 58.3516 31.7434 177.8041 585 L 4.2903 7.7948 115.9535 55.9295 42.2004 177.6733 586 C 4.7831 8.5587 115.0752 55.9027 42.2192 173.5567 587 V 3.4850 7.6894 119.0695 66.7558 30.3857 174.1299 588 G 3.4556 8.7811 117.3506 45.0151 0.0000 172.8414 589 I 3.7763 7.3702 122.3316 59.9531 38.7102 173.8806 590 P 4.4697 0.0000 0.0000 63.3868 31.8179 176.5730 591 T 4.7561 8.4295 109.2247 62.1630 70.6672 174.0953 592 E 4.5893 8.2341 123.7583 56.1690 30.6967 176.2781 593 W 4.3492 9.1972 125.6451 57.1805 29.9169 175.3819 594 S 4.8666 9.3401 118.3051 56.7297 66.7463 172.4407 595 V 4.9106 7.8190 119.6005 59.6774 33.5474 174.5333 596 V 4.6971 8.1126 129.3487 61.3437 32.1720 174.9029 597 E 3.8643 8.8905 132.0356 57.8695 30.5315 175.1284 598 D 4.3453 8.9649 127.2827 53.4073 36.6906 172.6471 599 L 4.7022 7.7758 123.2772 51.7245 45.8234 174.9203 600 P 4.1548 0.0000 0.0000 66.5938 30.9072 177.3430 601 E 4.0563 7.9770 113.7796 55.6753 29.1853 176.9683 602 G 3.7889 8.0115 106.6276 44.0165 0.0000 171.1847 603 P 4.4778 0.0000 0.0000 62.3840 32.1728 176.3385 604 A 4.4747 8.5107 126.7362 51.1596 20.8584 175.8791 605 V 4.4632 8.1303 120.1349 61.5896 32.9089 175.1645 606 K 4.8189 8.8398 126.9566 54.7350 36.6759 175.9473 607 I 4.9514 7.6855 116.3328 59.3465 40.4471 175.5540 608 G 3.8495 8.7106 114.1746 45.2995 0.0000 173.3269 *609 E 4.2293 8.5189 114.8854 55.2644 29.8854 172.5406 610 N 4.9558 8.6128 123.9115 50.7780 41.2998 174.6684 *611 K 3.8496 8.9449 127.7380 59.3036 32.4221 176.0797 *612 D 4.8594 7.7646 119.9797 53.3016 39.0518 178.2841 613 A 4.0736 7.9281 123.2327 52.5085 18.8739 178.2602 614 M 4.2117 8.6659 123.0821 56.3388 33.2022 175.5989 615 D 4.5495 8.8402 126.1340 53.5203 42.5264 176.1722 616 G 3.4868 7.3782 108.8694 46.1720 0.0000 171.3534 617 W 5.1950 7.1976 118.0521 54.7943 33.6370 175.6964 618 F 5.3999 9.3035 120.9680 56.9000 40.8228 174.9050 619 R 4.9793 8.4857 116.7405 55.4533 34.6199 174.5536 620 L 5.2730 8.6269 122.7806 53.9565 44.4657 175.3844 621 E 4.9630 9.1025 120.3624 54.8501 34.0759 175.0426 622 R 3.9590 8.7031 124.4235 56.7737 30.4952 175.6679 623 V 4.1541 8.6193 119.0536 64.4333 33.9454 177.1150 *624 S 3.8383 7.6508 114.9186 57.6091 62.8275 177.9429 *625 D 4.5887 8.6439 126.3973 55.3349 37.5557 173.5619 626 D 4.3326 7.4735 126.5188 55.9508 41.1674 172.6516 *627 E 4.5331 7.8895 116.0627 56.4685 30.9640 179.6640 628 F 4.8280 8.3488 115.9833 57.8097 41.3332 176.0689 629 N 4.6729 8.4898 120.0270 52.3697 37.0400 174.5349 630 N 4.9110 7.6945 117.0764 52.9220 40.7571 175.2467 631 Y 5.3943 8.7816 121.6478 56.3365 42.5988 174.3254 632 K 5.1757 8.8910 117.1790 56.5325 35.8684 175.2268 633 L 5.3282 8.7671 122.3737 54.0395 44.1171 175.8244 634 V 4.7777 8.8507 114.2061 59.7234 36.6621 174.0722 635 F 5.0082 9.3225 124.4210 56.7815 42.3948 173.4909 636 C 4.9742 7.6872 122.2281 53.8049 42.3748 171.5678 637 P 4.1374 0.0000 0.0000 63.6627 31.7056 177.5679 *638 Q 3.9892 8.8811 125.9943 55.1835 26.1767 176.3633 *644 K 4.1775 8.2632 123.6665 52.8814 34.7945 178.1026 645 C 5.0307 8.0171 116.7126 55.8349 41.7659 173.3490 646 G 4.3661 9.0588 107.1480 44.4321 0.0000 172.4467 647 D 5.0426 8.9021 123.6756 54.4976 43.0147 175.2819 648 I 4.7566 8.4435 119.6800 60.3048 39.4724 174.8585 649 G 5.2347 8.9543 118.8643 43.8917 0.0000 169.8334 650 I 4.9960 8.3672 120.4469 59.5482 39.7757 175.5898 651 S 4.5555 8.6518 122.3163 55.9572 63.2635 173.2265 652 I 3.8518 8.2971 127.2175 61.6449 37.7835 175.4136 653 D 4.2144 9.4311 129.9199 55.3125 41.5638 176.7962 *654 H 4.2238 9.0874 124.4941 57.5243 29.1043 172.6877 655 D 4.7636 7.6989 120.4245 50.9744 38.6228 176.1375 656 D 5.2068 8.2673 131.5554 56.9781 41.4228 177.1280 657 G 4.0571 8.4530 105.9163 45.2380 0.0000 174.0290 658 T 3.6742 7.6544 116.3148 64.6293 69.4845 174.3811 659 R 4.4199 8.3779 125.7879 55.2618 29.1137 174.9255 660 R 4.1366 7.8190 121.3374 55.5768 32.0872 175.4862 661 L 4.6156 8.4192 126.0484 55.2704 43.4017 176.0431 662 V 4.8832 8.6079 117.8536 60.1466 36.9866 173.4180 663 V 5.0560 7.9257 122.7667 60.8141 32.1957 175.6647 664 S 4.5340 8.4741 119.9621 56.2493 65.0104 174.4528 665 K 4.0430 9.2051 131.1573 60.2045 32.3957 177.9249 *666 N 4.4097 8.3165 116.9295 55.8724 37.7315 177.7644 *667 K 4.5157 7.8035 116.9839 52.9343 36.0463 176.2090 668 P 5.0336 0.0000 0.0000 60.6321 33.3011 174.5117 669 L 4.6108 8.2425 119.8782 53.1066 43.8402 175.5720 670 V 4.2676 8.3739 127.5831 62.9723 32.5966 175.1328 671 V 4.8167 8.8978 121.0484 59.5250 36.3502 174.7403 672 Q 4.5096 8.7149 119.6273 54.7239 31.8456 174.5863 673 F 5.7085 8.2597 121.5525 56.5852 41.4000 174.7407 674 Q 4.9439 8.7998 121.6193 54.4252 31.7364 173.5752 675 K 3.0610 9.1413 127.6775 57.3671 32.2741 175.0192 676 L 3.6443 8.1568 128.6579 52.3115 41.0771 177.5222 677 D 4.7324 7.7337 124.7413 53.9000 39.6523 176.1042 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 501 D 8.22 4.50 0.00 2.79 2.65 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 0.00 502 F 8.37 4.95 0.00 3.03 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 0.00 503 V 9.98 4.06 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.75 0.00 0.00 504 L 9.09 5.16 0.00 1.76 1.69 0.99 1.10 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 0.00 505 D 9.90 4.85 0.00 3.07 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 0.00 506 N 9.15 4.49 0.00 2.82 3.13 0.00 0.00 6.95 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 0.00 507 E 8.77 4.44 0.00 2.29 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 2.34 2.31 0.00 508 G 8.02 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 0.00 509 N 8.56 4.81 0.00 2.87 2.72 0.00 0.00 6.72 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 0.00 510 P 0.00 4.51 0.00 1.31 1.85 0.00 3.58 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 1.09 1.44 0.00 511 L 8.63 4.14 0.00 1.17 0.78 -0.38 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 512 E 10.50 4.47 0.00 1.89 1.87 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 2.51 2.51 0.00 513 N 8.90 4.26 0.00 2.61 2.69 0.00 0.00 7.48 7.88 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 0.00 514 G 8.64 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 0.00 515 G 8.16 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 0.00 516 T 7.89 5.18 4.05 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 1.17 0.00 0.00 517 Y 9.29 4.97 0.00 2.87 2.96 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 0.00 518 Y 8.71 5.10 0.00 3.06 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 0.00 519 I 8.41 4.85 2.06 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.16 0.96 0.00 0.00 520 L 8.60 4.57 0.00 1.75 1.60 0.98 0.89 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 0.00 521 S 8.30 5.03 0.00 3.92 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 0.00 522 D 8.37 4.37 0.00 2.94 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 0.00 523 I 7.66 3.75 1.78 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.02 0.93 0.00 0.00 524 T 8.47 3.82 4.18 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 1.14 0.00 0.00 525 A 7.91 3.86 0.66 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 0.00 0.00 526 F 7.36 5.44 0.00 3.12 3.17 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 0.00 0.00 0.00 527 G 8.17 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 528 G 9.01 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 0.00 0.00 0.00 0.00 529 I 7.99 4.92 2.24 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 1.66 1.55 1.17 0.00 0.00 530 R 8.73 4.38 0.00 1.51 1.89 0.00 2.77 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.42 0.00 531 A 7.21 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 532 A 8.41 4.75 1.15 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 0.00 0.00 0.00 0.00 0.00 533 P 0.00 4.99 0.00 2.15 2.06 0.00 3.72 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 534 T 9.21 4.63 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 1.18 0.00 0.00 535 G 9.06 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 0.00 0.00 0.00 536 N 9.20 5.01 0.00 2.68 2.76 0.00 0.00 6.58 7.66 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 0.00 537 E 7.86 4.65 0.00 2.08 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 2.19 2.32 0.00 538 R 8.72 4.03 0.00 1.91 2.05 0.00 2.98 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 539 C 7.20 4.96 0.00 3.14 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 0.00 540 P 0.00 4.59 0.00 2.27 2.16 0.00 3.73 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 2.13 2.11 0.00 541 L 8.40 4.69 0.00 1.77 1.69 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 542 T 7.92 4.63 4.30 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 1.14 0.00 0.00 543 V 8.07 3.61 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 -0.27 0.00 0.00 0.20 0.00 0.00 544 V 9.26 4.86 2.00 0.00 0.00 0.00 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 0.88 0.00 0.00 545 Q 8.02 4.96 0.00 1.91 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.93 0.00 0.00 0.00 0.00 0.00 2.17 2.30 0.00 546 S 8.89 4.47 0.00 3.85 3.79 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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0.00 621 E 9.10 4.96 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 2.32 2.36 0.00 622 R 8.70 3.96 0.00 1.51 1.73 0.00 2.93 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.35 0.00 623 V 8.62 4.15 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 0.75 0.00 0.00 0.97 0.00 0.00 *624 S 7.65 3.84 0.00 3.64 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *625 D 8.64 4.59 0.00 2.69 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 0.00 626 D 7.47 4.33 0.00 2.65 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 *627 E 7.89 4.53 0.00 1.97 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 2.11 1.86 0.00 628 F 8.35 4.83 0.00 3.27 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 0.00 629 N 8.49 4.67 0.00 2.91 3.12 0.00 0.00 6.87 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 630 N 7.69 4.91 0.00 2.71 2.77 0.00 0.00 6.76 7.48 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 0.00 631 Y 8.78 5.39 0.00 3.02 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 0.00 632 K 8.89 5.18 0.00 1.91 1.95 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.39 7.81 633 L 8.77 5.33 0.00 1.93 1.95 1.12 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 634 V 8.85 4.78 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 0.97 0.00 0.00 1.02 0.00 0.00 635 F 9.32 5.01 0.00 2.91 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 0.00 636 C 7.69 4.97 0.00 2.68 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 0.00 637 P 0.00 4.14 0.00 2.08 2.22 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.04 0.00 *638 Q 8.88 3.99 0.00 1.80 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.63 0.00 0.00 0.00 0.00 0.00 2.22 2.15 0.00 *644 K 8.26 4.18 0.00 1.79 1.62 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 645 C 8.02 5.03 0.00 2.87 3.15 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 0.00 0.00 0.00 646 G 9.06 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 0.00 0.00 0.00 0.00 647 D 8.90 5.04 0.00 2.85 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 0.00 648 I 8.44 4.76 2.15 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.40 1.05 0.00 0.00 649 G 8.95 5.23 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 0.00 650 I 8.37 5.00 1.84 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 1.23 0.94 0.86 0.00 0.00 651 S 8.65 4.56 0.00 3.83 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 652 I 8.30 3.85 1.84 0.00 0.00 0.77 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 0.90 0.89 0.00 0.00 653 D 9.43 4.21 0.00 2.71 2.60 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 *654 H 9.09 4.22 0.00 2.97 2.91 0.00 7.25 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 655 D 7.70 4.76 0.00 2.77 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 0.00 656 D 8.27 5.21 0.00 2.68 3.14 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 0.00 657 G 8.45 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 0.00 658 T 7.65 3.67 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 1.15 0.00 0.00 659 R 8.38 4.42 0.00 1.71 1.65 0.00 2.21 0.00 0.00 3.05 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.40 0.00 660 R 7.82 4.14 0.00 1.88 1.78 0.00 3.08 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 661 L 8.42 4.62 0.00 1.93 1.40 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 662 V 8.61 4.88 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 0.55 0.00 0.00 0.99 0.00 0.00 663 V 7.93 5.06 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 0.78 0.00 0.00 0.97 0.00 0.00 664 S 8.47 4.53 0.00 3.88 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 0.00 665 K 9.21 4.04 0.00 1.76 1.84 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.51 7.81 *666 N 8.32 4.41 0.00 2.78 2.75 0.00 0.00 6.32 7.44 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 *667 K 7.80 4.52 0.00 1.68 1.64 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.28 1.23 7.81 668 P 0.00 5.03 0.00 2.23 2.35 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 669 L 8.24 4.61 0.00 1.82 1.88 0.97 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 670 V 8.37 4.27 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 0.96 0.00 0.00 0.98 0.00 0.00 671 V 8.90 4.82 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 0.89 0.00 0.00 0.92 0.00 0.00 672 Q 8.71 4.51 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.90 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 673 F 8.26 5.71 0.00 2.94 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 0.00 674 Q 8.80 4.94 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.93 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 675 K 9.14 3.06 0.00 1.82 1.62 0.00 1.61 0.00 0.00 1.15 0.00 0.00 2.33 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.91 1.43 7.81 676 L 8.16 3.64 0.00 1.45 1.27 0.43 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 677 D 7.73 4.73 0.00 2.87 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 * Residues marked with a * may have inaccurate shift predictions.