NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 524 M 4.2754 8.3001 120.3457 55.1022 33.4551 175.2325 525 A 4.0987 8.3441 128.7271 50.6410 19.4856 176.5172 526 L 4.1016 8.5954 121.0995 58.8029 43.0266 177.3805 527 Y 4.3494 8.2687 116.8220 60.2702 37.4440 178.0167 528 E 3.6453 7.0535 118.9434 58.5700 29.7126 178.5237 529 E 4.1405 8.4229 118.6260 58.1767 29.2486 177.5381 530 E 5.0846 7.7040 116.2685 55.3026 30.4733 175.7780 531 Q 4.7564 7.9439 118.5608 54.2169 31.4971 175.8679 532 V 4.2933 8.4721 124.5002 62.2759 33.7318 174.3797 *533 E 4.5014 8.4352 123.5088 54.6190 32.6655 169.1562 534 R 4.0300 9.1249 133.6369 56.0773 30.6552 175.4280 *535 I 3.8870 7.8955 128.6785 61.2091 40.2646 174.1619 *539 E 4.1689 9.1285 120.7528 58.2064 30.8861 175.0733 *540 E 3.8537 8.7544 105.9600 58.9809 26.2491 171.0991 541 R 4.1984 7.6034 119.1771 56.1613 31.6563 176.0795 542 G 4.1890 8.3639 103.2196 43.7938 0.0000 171.9889 543 K 5.1346 8.6371 116.1229 55.3875 36.5601 175.1554 544 I 5.2103 9.2557 121.2896 59.2815 41.6063 173.9277 545 L 4.3384 8.7536 131.3735 53.8976 42.9771 175.1272 546 V 5.0653 8.4670 127.0948 61.0465 34.4043 174.3342 547 S 5.3714 9.0451 121.6491 56.5846 66.0988 172.7971 548 L 5.0459 9.2384 121.6198 53.2988 45.4689 175.3516 549 M 4.9093 8.9256 122.7450 54.1794 36.0594 172.9009 550 Y 4.5280 8.7022 127.9166 57.0448 40.6054 173.8217 551 S 5.0017 8.3172 123.4074 56.9572 62.8365 174.7401 552 T 4.1049 9.0288 121.9111 65.4504 68.8317 176.6272 553 Q 4.1478 8.1590 119.4356 57.3794 28.1945 179.1435 554 Q 4.2714 8.4869 115.6787 55.2746 29.3251 175.5061 555 G 3.7990 9.0880 106.9244 46.0335 0.0000 172.7115 556 G 3.4584 6.7099 103.9490 45.3009 0.0000 172.5584 557 L 4.8599 7.8025 122.2696 53.7602 43.9595 175.1552 558 I 4.8820 9.0115 127.6192 59.9038 39.2260 174.5579 559 V 4.7966 9.3184 128.5511 61.1840 33.6340 174.5122 560 G 4.5195 9.2144 115.5555 43.8002 0.0000 172.0906 561 I 4.5741 8.8034 127.2322 60.6914 38.2049 176.1494 562 I 4.2081 8.6387 128.7498 62.5080 38.4632 176.2069 563 R 5.1693 7.4730 115.3630 56.0226 32.3391 172.2789 564 C 5.8794 9.3821 116.6502 58.1063 32.9970 173.7250 565 V 4.3381 8.3386 118.7182 60.7022 34.4753 175.1135 566 H 4.1401 8.6704 116.9861 56.7302 26.3585 174.8108 567 L 4.4799 7.8474 117.0761 54.5974 42.4192 178.0233 568 A 4.1678 8.1851 123.3917 52.1191 19.0560 177.1836 569 A 4.3263 8.5061 123.8295 51.6401 19.3941 177.1587 570 M 4.8653 8.6252 120.9594 54.9024 33.7602 175.1479 571 D 5.0504 8.1676 117.7856 52.3676 45.2342 176.7830 572 A 4.0621 8.9375 123.9194 54.5732 18.4931 178.5899 573 N 4.5263 8.1592 111.5904 53.3879 37.6673 175.9738 574 G 3.6959 8.5035 107.6545 45.8561 0.0000 172.5365 575 Y 5.0724 8.2784 118.2127 56.5128 42.0315 174.3765 576 S 4.8410 8.7458 113.4414 58.1353 68.0817 173.3828 577 D 5.8500 9.5782 121.7725 51.3806 40.2316 173.8866 578 P 5.8500 0.0000 0.0000 62.5101 33.4905 176.2201 579 F 5.6494 8.7147 115.3676 55.9077 42.0793 172.7916 580 V 4.8398 8.7619 118.5412 61.0710 34.6215 174.1655 581 K 5.0781 9.1887 126.8441 54.6815 35.0538 175.0738 582 L 5.4425 8.8717 123.7147 52.8119 45.2619 175.4630 583 W 5.6419 9.1088 131.9752 55.8732 34.1227 173.4075 584 L 4.7537 9.1552 130.9346 53.8349 41.9623 175.6741 585 K 4.4546 8.8312 126.7203 53.9958 35.9229 173.6086 586 P 4.0372 0.0000 0.0000 63.1948 31.4800 176.2350 *590 K 4.2704 8.8911 127.2234 54.5157 34.3038 173.6850 591 K 4.2746 7.9214 121.0456 58.0884 32.7628 178.2325 592 A 4.5126 8.0614 121.7233 53.4324 19.0861 176.7980 593 K 5.3339 7.5748 114.2341 55.3002 34.8715 175.4205 594 H 5.0555 9.0431 118.7559 54.6568 33.7775 172.4023 595 K 5.0852 8.1520 117.7264 55.9610 35.2053 175.8211 596 T 4.9135 8.5760 113.8749 60.4840 70.2613 174.0053 597 Q 4.2676 9.0281 121.1080 55.9519 29.2898 175.8964 598 I 4.7353 7.9880 120.3325 60.5374 38.5462 175.5117 599 K 4.5322 9.3302 126.9515 54.9279 33.9917 175.7167 600 K 4.6638 8.6847 124.2509 55.6715 33.2257 177.0982 601 K 3.8662 8.8874 123.9842 57.2278 29.8847 174.8709 602 T 4.8047 8.2113 110.8269 60.9565 71.1309 174.2960 603 L 4.5304 8.9633 125.5292 54.7283 43.0219 175.7293 604 N 5.8690 8.4695 115.9983 49.9055 38.1138 172.7239 605 P 4.2526 0.0000 0.0000 62.7469 33.4299 176.7405 606 E 4.6289 8.4715 122.5354 55.5292 30.1843 175.1964 607 F 4.5262 9.3283 123.6995 57.9230 40.6609 176.8034 608 N 4.1690 7.8870 112.9414 54.6418 35.8648 173.2786 609 E 4.7356 8.2037 116.1178 54.6740 33.3022 176.6184 610 E 4.8823 7.9618 119.8099 54.6592 33.4527 175.1722 611 F 4.8436 9.2514 121.1935 55.5407 43.3954 173.5632 612 F 5.3154 8.6647 123.0282 56.6185 42.2125 173.6441 613 Y 4.7133 7.8866 123.2682 55.8424 40.6314 174.6238 614 D 4.7721 8.7606 124.6177 53.5661 39.9034 175.5659 615 I 4.4929 7.9216 121.9361 59.4891 41.6630 174.5736 616 K 4.2062 8.9004 128.5388 56.8391 32.9034 177.3246 617 H 3.4821 8.8867 121.3979 59.1314 29.4872 177.3844 618 S 4.2480 7.9305 113.3015 59.9691 63.3087 174.5668 619 D 4.8191 7.8573 121.6270 54.3366 41.9426 177.6111 620 L 4.0862 7.7179 121.2136 57.5702 41.8391 178.0384 621 A 4.3560 7.8035 119.8028 53.8072 18.6866 177.9924 622 K 4.1927 7.8517 113.8853 57.2141 32.5468 176.7976 623 K 4.7690 7.6580 120.6155 55.4497 34.8542 176.3976 *624 S 4.7341 9.0495 120.1609 56.7588 66.4817 173.3462 625 L 4.5949 8.3966 129.3542 53.3247 43.5542 175.4383 626 D 4.9140 8.9458 129.2598 53.1799 41.3784 172.2485 627 I 5.1907 8.8032 125.0554 58.5516 40.2429 174.9319 628 S 5.0720 9.1848 120.9673 56.5644 66.8248 172.9454 629 V 4.7456 8.6654 122.0736 61.0417 34.0880 174.3985 630 W 5.2064 8.7030 125.9868 54.8590 33.7009 173.7797 631 D 5.3688 9.6616 124.0174 53.0972 41.8746 174.9941 632 Y 5.0746 9.3565 129.1564 58.0624 39.4064 174.7301 633 D 5.0746 8.5152 125.1602 52.8040 44.2543 175.8141 634 I 4.0552 10.4379 121.7768 61.3119 38.5108 176.8047 635 G 4.1667 9.0686 108.8438 44.3425 0.0000 172.0514 636 K 4.3269 7.7422 117.1822 55.0878 34.9587 174.5005 637 S 4.1634 8.6429 113.5445 58.9526 62.4019 173.8531 638 N 4.7953 8.8617 122.9752 53.8829 39.4969 173.8094 639 D 5.0504 9.0807 121.6965 53.1468 42.8603 175.4225 640 Y 3.6302 8.8049 125.2305 57.9027 38.9349 174.6565 641 I 3.8999 7.6579 127.3564 61.3057 38.8817 176.1608 642 G 3.4420 6.1085 108.5062 46.1768 0.0000 171.2591 643 G 4.7816 8.4123 107.3195 45.0726 0.0000 171.2124 644 C 5.2504 9.1572 113.5400 56.4641 33.6134 172.7896 645 Q 4.8476 8.5417 120.5147 54.3948 31.2216 174.2767 646 L 4.5904 9.1133 126.6108 52.2607 44.6399 176.2174 647 G 2.7318 7.6688 109.6475 45.5093 0.0000 173.1174 648 I 4.0377 7.9347 119.5236 63.4351 38.0867 176.4551 649 S 4.4295 7.7382 113.6861 58.2825 62.9903 173.7591 650 A 4.2876 7.5401 124.3478 51.4719 19.4787 176.7033 651 K 4.5982 8.1762 117.8794 54.8444 35.9792 177.4883 652 G 3.8847 8.4656 107.7155 46.2517 0.0000 174.6279 653 E 4.0356 8.8520 117.7357 59.5073 29.3155 180.0020 654 R 4.0082 8.0050 117.8142 58.9953 30.2236 178.4815 655 L 4.2062 7.8738 119.6979 58.1553 42.0797 178.8390 656 K 3.9448 8.1512 118.5000 60.1084 32.1487 178.6545 657 H 4.3264 8.4822 118.1732 58.9980 29.7868 177.1859 658 W 4.0775 8.1545 130.3001 60.5859 30.5517 177.3580 659 Y 3.9019 8.7750 119.9954 60.6158 38.0087 177.4645 660 E 4.0714 8.3813 119.2277 59.7625 29.8888 178.1092 661 C 4.1655 7.9435 118.1957 62.3987 31.2815 175.5987 662 L 3.8047 7.3611 119.7425 57.4611 41.3068 178.8367 663 K 4.3501 8.4007 115.9719 56.4371 33.2202 177.8046 664 N 5.0034 7.6417 117.4307 51.4127 40.0252 173.8449 665 K 4.0024 7.8016 119.5702 57.5694 33.1270 177.3038 666 D 4.5518 9.2016 120.7743 54.6054 39.1200 173.8551 667 K 4.4930 7.4313 118.7293 54.0471 33.8594 175.7560 668 K 4.2944 8.6884 125.8578 56.5099 33.0046 175.7874 669 I 4.6127 8.9941 129.6028 59.5749 39.2995 174.7920 670 E 5.1676 8.4646 124.6542 54.8991 32.7411 175.2112 671 R 4.3804 8.0000 117.4959 55.1226 34.1056 173.8002 672 W 4.9551 8.8105 126.1776 56.9859 30.2001 175.2433 673 H 5.1460 9.4321 121.1826 53.9343 31.8205 173.1613 674 Q 4.5293 8.7788 121.5503 55.7238 29.4382 175.7865 675 L 4.2706 8.9722 124.9185 54.8038 42.6341 176.5070 676 Q 4.5110 9.0079 122.3533 53.9829 32.5474 174.9786 677 N 4.6198 8.4939 119.3401 51.8246 37.3111 174.8051 678 E 4.2952 8.8482 121.8825 55.9974 30.0690 174.9066 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 M 8.30 4.28 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 525 A 8.34 4.10 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 0.00 526 L 8.60 4.10 0.00 1.80 1.76 0.95 0.80 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 0.00 527 Y 8.27 4.35 0.00 3.26 3.26 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 0.00 528 E 7.05 3.65 0.00 1.77 1.80 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 1.50 1.47 0.00 529 E 8.42 4.14 0.00 2.15 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 2.32 2.32 0.00 530 E 7.70 5.08 0.00 2.08 2.31 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 2.29 2.29 0.00 531 Q 7.94 4.76 0.00 1.90 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.92 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 532 V 8.47 4.29 2.10 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 0.75 0.00 0.00 0.94 0.00 0.00 *533 E 8.44 4.50 0.00 1.97 1.67 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 0.00 2.11 1.85 0.00 534 R 9.12 4.03 0.00 2.15 2.04 0.00 3.24 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 *535 I 7.90 3.89 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 1.27 0.39 0.91 0.00 0.00 *539 E 9.13 4.17 0.00 2.01 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 2.13 1.88 0.00 *540 E 8.75 3.85 0.00 2.16 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 2.09 1.88 0.00 541 R 7.60 4.20 0.00 1.94 1.98 0.00 2.98 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 542 G 8.36 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 0.00 543 K 8.64 5.13 0.00 2.07 1.86 0.00 1.25 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.14 1.24 7.81 544 I 9.26 5.21 2.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 2.05 1.10 0.00 0.00 545 L 8.75 4.34 0.00 0.27 0.98 0.02 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 546 V 8.47 5.07 2.27 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 1.13 0.00 0.00 1.05 0.00 0.00 547 S 9.05 5.37 0.00 3.91 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 0.00 548 L 9.24 5.05 0.00 1.46 1.45 0.77 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 549 M 8.93 4.91 0.00 2.05 1.86 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 2.65 2.49 0.00 550 Y 8.70 4.53 0.00 3.10 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 0.00 551 S 8.32 5.00 0.00 3.88 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 0.00 552 T 9.03 4.10 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 1.47 0.00 0.00 553 Q 8.16 4.15 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.95 0.00 0.00 0.00 0.00 0.00 2.28 1.96 0.00 554 Q 8.49 4.27 0.00 1.92 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.50 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 555 G 9.09 3.80 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 0.00 556 G 6.71 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 0.00 557 L 7.80 4.86 0.00 1.87 1.60 0.83 1.07 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 0.00 558 I 9.01 4.88 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.99 0.95 0.00 0.00 559 V 9.32 4.80 2.35 0.00 0.00 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 1.22 0.00 0.00 560 G 9.21 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.80 4.57 1.98 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 1.54 1.28 0.74 0.00 0.00 562 I 8.64 4.21 1.88 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.75 0.89 0.00 0.00 563 R 7.47 5.17 0.00 2.14 2.08 0.00 3.05 0.00 0.00 3.41 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.90 0.00 564 C 9.38 5.88 0.00 3.02 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 0.00 565 V 8.34 4.34 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 0.32 0.00 0.00 0.47 0.00 0.00 566 H 8.67 4.14 0.00 3.31 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 567 L 7.85 4.48 0.00 1.60 1.63 1.04 0.62 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 0.00 568 A 8.19 4.17 1.22 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 0.00 0.00 569 A 8.51 4.33 1.21 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 0.00 0.00 570 M 8.63 4.87 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.63 0.00 571 D 8.17 5.05 0.00 2.85 2.68 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 0.00 572 A 8.94 4.06 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 0.00 573 N 8.16 4.53 0.00 3.05 3.05 0.00 0.00 6.15 7.00 0.00 0.00 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 G 8.50 3.70 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 0.00 0.00 0.00 575 Y 8.28 5.07 0.00 3.06 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 0.00 576 S 8.75 4.84 0.00 3.84 3.82 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 0.00 577 D 9.58 5.85 0.00 3.02 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 0.00 578 P 0.00 5.85 0.00 2.50 2.37 0.00 4.23 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.03 0.00 579 F 8.71 5.65 0.00 3.24 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 0.00 580 V 8.76 4.84 1.80 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 1.07 0.00 0.00 0.41 0.00 0.00 581 K 9.19 5.08 0.00 1.90 1.74 0.00 1.24 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.51 1.47 7.81 582 L 8.87 5.44 0.00 1.62 1.67 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 583 W 9.11 5.64 0.00 3.34 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 0.00 584 L 9.16 4.75 0.00 0.78 1.13 0.83 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 585 K 8.83 4.45 0.00 1.33 0.74 0.00 1.47 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.31 1.22 7.81 586 P 0.00 4.04 0.00 2.06 2.01 0.00 3.69 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 1.92 1.89 0.00 *590 K 8.89 4.27 0.00 1.73 1.76 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.04 7.81 591 K 7.92 4.27 0.00 2.07 2.01 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.01 7.81 592 A 8.06 4.51 1.59 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 0.00 0.00 593 K 7.57 5.33 0.00 1.53 1.64 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.12 1.25 7.81 594 H 9.04 5.06 0.00 2.49 2.20 0.00 5.63 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 595 K 8.15 5.09 0.00 1.84 1.75 0.00 1.57 0.00 0.00 1.76 0.00 0.00 2.76 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.54 7.81 596 T 8.58 4.91 4.67 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 0.00 0.00 0.00 1.22 0.00 0.00 597 Q 9.03 4.27 0.00 2.50 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.20 0.00 598 I 7.99 4.74 1.64 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.14 0.98 0.00 0.00 599 K 9.33 4.53 0.00 1.56 1.61 0.00 1.49 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.17 0.89 7.81 600 K 8.68 4.66 0.00 1.63 1.74 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.44 7.81 601 K 8.89 3.87 0.00 1.72 1.44 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.35 7.81 602 T 8.21 4.80 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 1.20 0.00 0.00 603 L 8.96 4.53 0.00 1.73 1.73 0.87 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 604 N 8.47 5.87 0.00 2.51 2.72 0.00 0.00 6.98 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 0.00 605 P 0.00 4.25 0.00 1.18 1.92 0.00 3.88 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.11 0.00 606 E 8.47 4.63 0.00 1.81 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 2.24 2.29 0.00 607 F 9.33 4.53 0.00 3.14 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 0.00 608 N 7.89 4.17 0.00 2.83 2.84 0.00 0.00 6.75 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 0.00 609 E 8.20 4.74 0.00 1.96 1.36 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 2.19 2.54 0.00 610 E 7.96 4.88 0.00 1.61 1.68 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 2.14 2.21 0.00 611 F 9.25 4.84 0.00 2.71 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 0.00 0.00 0.00 612 F 8.66 5.32 0.00 2.86 2.86 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 0.00 613 Y 7.89 4.71 0.00 2.78 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 0.00 614 D 8.76 4.77 0.00 3.03 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 0.00 615 I 7.92 4.49 1.91 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 1.27 0.60 1.07 0.00 0.00 616 K 8.90 4.21 0.00 1.89 1.74 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.50 7.81 617 H 8.89 3.48 0.00 2.28 3.01 0.00 5.67 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 618 S 7.93 4.25 0.00 4.02 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 0.00 619 D 7.86 4.82 0.00 2.81 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 0.00 620 L 7.72 4.09 0.00 1.68 1.45 0.61 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 621 A 7.80 4.36 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 0.00 622 K 7.85 4.19 0.00 1.84 1.84 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.51 7.81 623 K 7.66 4.77 0.00 1.65 1.71 0.00 1.57 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.56 1.49 7.81 *624 S 9.05 4.73 0.00 3.29 3.66 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 0.00 625 L 8.40 4.59 0.00 1.64 1.41 1.07 1.54 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 0.00 626 D 8.95 4.91 0.00 2.37 2.54 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 0.00 0.00 0.00 0.00 627 I 8.80 5.19 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.58 0.95 0.00 0.00 628 S 9.18 5.07 0.00 3.97 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 0.00 629 V 8.67 4.75 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 1.07 0.00 0.00 0.91 0.00 0.00 630 W 8.70 5.21 0.00 2.02 2.86 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 0.00 631 D 9.66 5.37 0.00 2.89 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 0.00 632 Y 9.36 5.07 0.00 3.25 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 0.00 633 D 8.52 5.07 0.00 2.69 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 0.00 634 I 10.44 4.06 1.96 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.91 0.92 0.00 0.00 635 G 9.07 4.17 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 0.00 0.00 0.00 636 K 7.74 4.33 0.00 1.86 1.81 0.00 1.83 0.00 0.00 1.88 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.44 7.81 637 S 8.64 4.16 0.00 3.93 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 0.00 638 N 8.86 4.80 0.00 2.76 3.22 0.00 0.00 6.95 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 0.00 639 D 9.08 5.05 0.00 2.89 2.68 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 0.00 640 Y 8.80 3.63 0.00 2.44 2.67 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 0.00 0.00 0.00 0.00 641 I 7.66 3.90 1.72 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 1.09 0.63 0.76 0.00 0.00 642 G 6.11 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 0.00 643 G 8.41 4.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 644 C 9.16 5.25 0.00 2.91 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 0.00 645 Q 8.54 4.85 0.00 1.95 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.79 0.00 0.00 0.00 0.00 0.00 1.98 2.27 0.00 646 L 9.11 4.59 0.00 1.56 1.66 1.06 0.71 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 0.00 647 G 7.67 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 0.00 0.00 0.00 648 I 7.93 4.04 2.05 0.00 0.00 1.00 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 1.13 0.97 0.00 0.00 649 S 7.74 4.43 0.00 3.77 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 0.00 650 A 7.54 4.29 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 0.00 651 K 8.18 4.60 0.00 1.88 1.69 0.00 1.94 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 0.96 7.81 652 G 8.47 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 653 E 8.85 4.04 0.00 2.15 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 0.00 2.43 2.56 0.00 654 R 8.01 4.01 0.00 2.18 2.04 0.00 3.30 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.25 0.00 655 L 7.87 4.21 0.00 1.96 1.91 1.15 0.49 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 0.00 656 K 8.15 3.94 0.00 2.08 1.94 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.57 7.81 657 H 8.48 4.33 0.00 3.49 3.50 0.00 5.60 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 658 W 8.15 4.08 0.00 3.51 3.26 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 0.00 659 Y 8.77 3.90 0.00 3.32 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.38 4.07 0.00 2.24 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 2.38 2.39 0.00 661 C 7.94 4.17 0.00 2.92 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 0.00 662 L 7.36 3.80 0.00 1.58 1.33 0.76 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 663 K 8.40 4.35 0.00 2.00 1.85 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.47 1.35 7.81 664 N 7.64 5.00 0.00 2.88 2.68 0.00 0.00 6.98 8.21 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 0.00 665 K 7.80 4.00 0.00 1.73 1.82 0.00 1.76 0.00 0.00 1.24 0.00 0.00 2.32 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.21 1.30 7.81 666 D 9.20 4.55 0.00 2.80 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 0.00 667 K 7.43 4.49 0.00 2.22 1.72 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.37 1.20 7.81 668 K 8.69 4.29 0.00 1.77 1.73 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.48 7.81 669 I 8.99 4.61 1.96 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 1.46 0.81 1.06 0.00 0.00 670 E 8.46 5.17 0.00 1.79 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 2.13 2.22 0.00 671 R 8.00 4.38 0.00 1.47 1.39 0.00 3.14 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.50 0.00 672 W 8.81 4.96 0.00 3.18 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 0.00 673 H 9.43 5.15 0.00 3.14 3.22 0.00 5.61 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 674 Q 8.78 4.53 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 675 L 8.97 4.27 0.00 1.42 1.49 0.88 0.96 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 0.00 676 Q 9.01 4.51 0.00 1.92 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.03 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 677 N 8.49 4.62 0.00 2.75 2.77 0.00 0.00 7.21 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 0.00 678 E 8.85 4.30 0.00 2.09 2.21 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 2.22 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.