NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 520 Q 4.3882 8.3449 119.1243 53.8925 28.7043 174.5975 521 P 4.3271 0.0000 0.0000 61.5122 32.2728 175.4716 522 L 4.2590 8.9939 121.4265 56.7229 43.0677 179.1125 523 S 4.2778 7.9245 114.1574 61.3846 62.7859 175.5974 524 G 3.7061 7.6192 106.2691 46.0398 0.0000 173.6248 525 Y 3.7732 7.5073 119.2456 56.8547 38.2896 175.5334 526 P 4.2010 0.0000 0.0000 64.9381 31.7902 177.3205 527 W 4.5014 6.8033 114.5298 56.3769 29.5325 175.2144 528 F 5.3593 7.4933 124.3248 57.2538 39.8138 174.8658 529 H 4.3600 8.7486 122.8123 54.9423 29.3709 177.2304 530 G 3.3312 5.4165 107.8814 45.5316 0.0000 172.9179 531 M 4.5568 8.5063 122.6299 54.8615 31.9836 176.1686 532 L 4.7868 8.0221 127.8401 52.3175 45.3809 176.7872 533 S 4.8980 8.2840 120.8846 57.7561 65.0705 175.3877 534 R 3.8447 8.5782 122.8089 59.4131 29.8727 178.6197 535 L 3.9198 7.7803 119.5770 58.2787 42.3933 179.0183 536 K 4.2682 8.4992 119.5788 58.7574 31.7849 179.2655 537 A 3.9666 8.1757 120.9630 54.9743 18.3320 179.5304 538 A 3.9070 8.0729 119.2269 55.6049 18.0181 179.8402 539 Q 4.0031 8.1862 116.4356 59.1079 28.7279 179.4546 540 L 4.0500 7.8547 119.6941 57.7728 41.5589 179.5255 541 V 3.8684 7.4293 110.1882 63.2220 31.9062 177.9673 542 L 4.3251 8.0116 118.5776 55.1746 41.3777 176.1807 543 E 4.0485 7.1153 119.8148 58.3009 29.7645 176.6874 544 G 4.0875 8.8249 113.5895 45.0659 0.0000 174.3189 545 G 3.7681 8.4616 110.1776 46.4691 0.0000 176.7807 546 T 3.8904 8.4972 110.8522 64.0432 68.7872 176.6666 547 G 3.6258 7.9480 110.6198 47.7492 0.0000 174.3099 548 S 4.6783 8.2145 116.4497 58.2898 63.0943 173.1584 549 H 4.5507 7.6467 121.3246 58.3064 29.7485 175.5731 550 G 4.0103 9.4937 115.9991 44.9016 0.0000 172.9108 551 V 4.5477 8.0082 121.1180 62.9337 32.9511 174.9101 552 F 5.8265 8.7458 121.3522 56.2181 42.1753 172.4940 553 L 4.8694 8.9767 116.4700 55.1599 43.8473 173.8815 554 V 5.3569 9.3203 121.0099 61.4706 34.5311 174.5500 555 R 4.8007 8.8415 122.1902 54.5449 33.4786 173.5803 556 Q 4.6348 8.5414 122.0613 55.3624 29.8021 175.7876 557 S 4.2847 8.5806 121.2297 58.5478 63.0840 174.1944 558 E 4.2425 8.8197 125.7320 58.1135 29.7768 178.3059 559 T 4.3013 7.8860 106.9197 61.2529 70.9888 174.0225 560 R 4.4705 8.2580 121.8795 53.9237 30.9682 176.1428 561 R 3.9092 8.8653 124.6758 58.8593 30.4471 177.2920 562 G 4.1944 8.0518 104.9515 45.1046 0.0000 172.1141 563 E 5.1288 8.1983 118.1370 54.5893 34.1986 174.7510 564 C 5.2562 8.7234 119.4147 58.1052 32.3663 172.6733 565 V 4.8515 9.2651 118.5122 61.4928 35.0296 174.1084 566 L 4.6941 9.2208 130.1365 54.2631 43.3932 174.8940 567 T 5.1431 8.8490 124.5362 61.9541 70.7099 174.1528 568 F 5.4440 8.6202 120.3755 55.5446 42.5061 172.5440 569 N 5.1464 9.2722 118.6293 52.3593 40.4655 173.3428 570 F 5.1240 9.6442 131.7176 56.8204 41.7773 175.6987 571 Q 3.1892 9.7403 127.6880 56.0202 25.1014 171.7627 572 G 4.0098 8.8603 104.9668 45.9220 0.0000 173.6173 573 K 4.5419 7.9805 119.1084 54.0322 34.7900 175.0591 574 A 4.5867 8.4304 124.9886 51.5230 19.4095 176.7891 575 K 4.4358 8.5976 121.2450 54.6404 36.2043 175.0936 576 H 5.3014 8.4688 118.4893 54.1817 32.3781 172.6754 577 L 4.8561 8.9142 123.3551 52.6407 44.6121 176.2590 578 R 4.3311 8.7869 123.1373 56.2855 31.1374 176.2205 579 L 4.6740 8.9895 124.5302 53.1040 43.6710 175.7160 580 S 4.5633 9.1712 121.3108 57.6773 62.9643 173.0811 581 L 5.7816 8.3519 126.2039 52.4033 44.2147 175.3906 582 N 5.0597 8.3750 116.6972 50.3388 40.4509 174.9680 583 A 3.8982 8.7418 120.5427 55.4042 18.2085 178.4778 584 A 4.1553 8.0563 115.6406 52.7831 19.0272 178.2532 585 G 4.0099 8.6422 105.8990 44.9055 0.0000 173.7679 586 Q 4.6744 7.9936 119.1577 55.5197 30.2445 174.7688 587 C 5.2593 9.2696 123.5081 57.7420 34.5469 172.5345 588 R 5.2884 9.2551 126.1311 54.5255 32.2388 175.6296 589 V 4.7787 8.4490 123.0223 59.7835 34.3228 175.3193 590 Q 3.2834 9.0320 124.8478 57.7718 27.4560 173.8387 591 H 4.8435 9.1660 121.8033 56.0396 28.8047 174.1208 592 L 4.4779 7.9712 120.3790 53.4205 43.8183 174.8338 593 H 4.9688 8.0354 121.5464 54.4141 31.6722 174.0957 594 F 4.7616 8.0899 123.5948 55.5621 42.7613 176.1372 595 Q 4.2366 8.8252 123.1117 58.5453 29.1222 176.1117 596 S 5.2513 7.4406 112.0152 57.2641 66.4058 176.1874 597 I 3.6138 8.1563 123.5045 64.3880 36.8121 178.4044 598 F 3.7499 8.1080 120.9805 61.4517 39.3147 176.8460 599 D 4.2061 8.1314 118.3844 57.2547 40.5264 178.5306 600 M 2.5500 7.5963 118.8219 57.8652 31.9042 178.2325 601 L 3.4374 7.2160 118.1227 57.7031 42.0295 178.9853 602 E 3.7717 7.3239 118.3002 59.4692 29.2173 178.8501 603 H 3.9039 7.7421 118.0714 59.1759 29.8286 176.4705 604 F 5.0056 7.3432 118.5287 57.3562 38.4479 177.1503 605 R 4.5080 7.5289 118.5129 56.7818 30.2710 176.9306 606 V 4.0941 7.4092 116.1461 64.2347 33.1741 175.3702 607 H 4.6837 8.0619 117.0220 53.8025 29.7218 172.8458 608 P 4.6993 0.0000 0.0000 62.8900 31.9621 176.0499 609 I 3.3705 8.1235 124.5251 60.1617 37.7047 174.0883 610 P 4.3855 0.0000 0.0000 62.4765 31.6470 176.1038 611 L 4.3767 8.5784 126.1963 54.6614 40.0984 175.7361 612 E 3.5234 8.2671 112.7563 57.9348 29.0913 174.6925 *618 D 4.7709 7.7943 118.8010 53.9511 40.5759 175.5156 619 V 4.6805 8.1216 121.0839 60.6427 34.5885 173.0746 620 V 4.8443 8.1889 115.4009 59.1258 35.7057 175.3446 621 L 4.2339 8.7470 123.7873 55.2187 41.8375 176.9710 622 V 4.3484 8.7642 124.4967 64.4526 32.9999 175.5788 623 S 4.7633 7.8530 112.4447 57.6729 65.9778 172.8958 624 Y 4.6584 7.4576 117.9984 54.7703 40.7403 175.2166 625 V 4.1137 8.4581 122.0280 61.6026 32.0703 174.0824 626 P 5.0541 0.0000 0.0000 62.7333 32.3328 176.6199 627 S 4.1045 8.6273 116.5612 58.5447 63.1366 173.8860 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 520 Q 8.34 4.39 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.95 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 521 P 0.00 4.33 0.00 2.06 1.98 0.00 3.61 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 2.00 2.15 0.00 522 L 8.99 4.26 0.00 0.38 0.27 0.67 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 523 S 7.92 4.28 0.00 3.82 4.01 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 0.00 524 G 7.62 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 0.00 525 Y 7.51 3.77 0.00 1.80 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 526 P 0.00 4.20 0.00 2.30 2.33 0.00 3.49 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.05 0.00 527 W 6.80 4.50 0.00 3.42 2.49 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 0.00 528 F 7.49 5.36 0.00 2.51 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 0.00 529 H 8.75 4.36 0.00 2.86 3.18 0.00 5.85 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 530 G 5.42 3.33 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 0.00 531 M 8.51 4.56 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 532 L 8.02 4.79 0.00 1.52 1.43 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 533 S 8.28 4.90 0.00 4.08 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 534 R 8.58 3.84 0.00 1.82 1.91 0.00 3.06 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.26 0.00 535 L 7.78 3.92 0.00 1.78 1.64 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 536 K 8.50 4.27 0.00 1.84 1.84 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.31 7.81 537 A 8.18 3.97 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 538 A 8.07 3.91 1.44 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 0.00 539 Q 8.19 4.00 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.68 0.00 540 L 7.85 4.05 0.00 1.89 1.71 0.92 0.69 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 0.00 541 V 7.43 3.87 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 0.79 0.00 0.00 1.01 0.00 0.00 542 L 8.01 4.33 0.00 1.75 1.70 0.92 0.55 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 0.00 543 E 7.12 4.05 0.00 2.04 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 2.33 2.31 0.00 544 G 8.82 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 0.00 545 G 8.46 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 546 T 8.50 3.89 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 1.16 0.00 0.00 547 G 7.95 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 548 S 8.21 4.68 0.00 4.02 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 0.00 549 H 7.65 4.55 0.00 3.15 3.26 0.00 5.94 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 0.00 550 G 9.49 4.01 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 0.00 0.00 0.00 551 V 8.01 4.55 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 0.95 0.00 0.00 0.98 0.00 0.00 552 F 8.75 5.83 0.00 3.39 3.21 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 0.00 553 L 8.98 4.87 0.00 1.79 1.77 0.92 0.74 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 0.00 554 V 9.32 5.36 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 1.52 0.00 0.00 1.17 0.00 0.00 555 R 8.84 4.80 0.00 1.96 1.91 0.00 3.02 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 556 Q 8.54 4.63 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 557 S 8.58 4.28 0.00 3.93 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 558 E 8.82 4.24 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 2.40 2.29 0.00 559 T 7.89 4.30 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 0.00 560 R 8.26 4.47 0.00 1.85 1.91 0.00 3.16 0.00 0.00 3.36 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 561 R 8.87 3.91 0.00 1.79 2.00 0.00 3.23 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 562 G 8.05 4.19 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 0.00 0.00 0.00 563 E 8.20 5.13 0.00 1.96 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 2.25 2.29 0.00 564 C 8.72 5.26 0.00 3.01 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 565 V 9.27 4.85 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.98 0.00 0.00 566 L 9.22 4.69 0.00 1.77 1.60 0.84 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 567 T 8.85 5.14 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 1.14 0.00 0.00 568 F 8.62 5.44 0.00 3.31 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 0.00 569 N 9.27 5.15 0.00 3.01 2.97 0.00 0.00 7.00 7.23 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 0.00 570 F 9.64 5.12 0.00 3.21 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 0.00 571 Q 9.74 3.19 0.00 2.22 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.82 0.00 0.00 0.00 0.00 0.00 2.19 1.90 0.00 572 G 8.86 4.01 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 0.00 0.00 0.00 573 K 7.98 4.54 0.00 2.01 1.70 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.50 7.81 574 A 8.43 4.59 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 0.00 575 K 8.60 4.44 0.00 0.79 1.04 0.00 1.45 0.00 0.00 1.49 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.98 1.11 7.81 576 H 8.47 5.30 0.00 2.95 3.16 0.00 5.64 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 0.00 577 L 8.91 4.86 0.00 1.61 1.56 0.81 0.93 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 0.00 578 R 8.79 4.33 0.00 1.73 2.05 0.00 3.18 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 579 L 8.99 4.67 0.00 1.72 1.66 0.99 1.01 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 0.00 580 S 9.17 4.56 0.00 3.92 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 0.00 581 L 8.35 5.78 0.00 1.78 1.58 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 582 N 8.37 5.06 0.00 2.91 2.92 0.00 0.00 5.82 7.80 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 0.00 583 A 8.74 3.90 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 0.00 584 A 8.06 4.16 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 0.00 585 G 8.64 4.01 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 0.00 0.00 0.00 586 Q 7.99 4.67 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.69 0.00 0.00 0.00 0.00 0.00 2.56 2.18 0.00 587 C 9.27 5.26 0.00 2.96 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 0.00 588 R 9.26 5.29 0.00 1.78 1.84 0.00 3.14 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 589 V 8.45 4.78 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 1.09 0.00 0.00 0.94 0.00 0.00 590 Q 9.03 3.28 0.00 2.29 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.35 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 591 H 9.17 4.84 0.00 3.26 3.36 0.00 5.48 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 592 L 7.97 4.48 0.00 1.71 1.09 1.16 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 593 H 8.04 4.97 0.00 2.98 2.95 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 594 F 8.09 4.76 0.00 3.14 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 0.00 595 Q 8.83 4.24 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.78 0.00 0.00 0.00 0.00 0.00 2.50 2.34 0.00 596 S 7.44 5.25 0.00 4.05 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 597 I 8.16 3.61 1.93 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 1.54 0.73 0.80 0.00 0.00 598 F 8.11 3.75 0.00 3.06 3.05 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 0.00 599 D 8.13 4.21 0.00 2.91 2.73 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 0.00 600 M 7.60 2.55 0.00 1.79 1.48 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 2.34 1.83 0.00 601 L 7.22 3.44 0.00 1.03 1.03 -0.69 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 602 E 7.32 3.77 0.00 1.72 1.75 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 1.47 1.83 0.00 603 H 7.74 3.90 0.00 3.00 2.65 0.00 5.58 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 604 F 7.34 5.01 0.00 2.85 2.69 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 0.00 605 R 7.53 4.51 0.00 1.88 1.91 0.00 3.14 0.00 0.00 3.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.63 0.00 606 V 7.41 4.09 1.90 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 0.61 0.00 0.00 0.85 0.00 0.00 607 H 8.06 4.68 0.00 3.07 3.20 0.00 5.87 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 608 P 0.00 4.70 0.00 2.12 2.10 0.00 3.86 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 609 I 8.12 3.37 1.44 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.23 0.19 0.00 0.00 610 P 0.00 4.39 0.00 2.10 2.16 0.00 2.95 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.99 0.00 611 L 8.58 4.38 0.00 1.67 0.80 0.92 0.91 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 0.00 612 E 8.27 3.52 0.00 2.05 2.22 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 2.19 1.88 0.00 *618 D 7.79 4.77 0.00 2.78 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 0.00 619 V 8.12 4.68 2.47 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 0.77 0.00 0.00 0.86 0.00 0.00 620 V 8.19 4.84 2.28 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 0.85 0.00 0.00 0.94 0.00 0.00 621 L 8.75 4.23 0.00 1.37 1.36 -0.01 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 622 V 8.76 4.35 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 0.80 0.00 0.00 1.04 0.00 0.00 623 S 7.85 4.76 0.00 3.68 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 0.00 624 Y 7.46 4.66 0.00 2.52 1.57 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.46 4.11 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 0.85 0.00 0.00 0.94 0.00 0.00 626 P 0.00 5.05 0.00 2.22 2.29 0.00 3.86 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 627 S 8.63 4.10 0.00 3.74 3.31 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 * Residues marked with a * may have inaccurate shift predictions.