NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 512 Y 5.1026 7.9876 118.3861 58.0547 39.3939 173.9925 513 T 4.0444 8.3194 110.3716 61.6260 69.3263 172.1135 514 L 4.4608 8.0000 122.5392 53.7153 43.9717 179.0704 515 S 4.3736 8.3391 116.8522 58.3517 65.0633 175.3576 516 E 4.0091 8.6628 122.0760 59.2118 29.1785 179.5549 517 K 3.9024 8.0050 119.4126 59.6983 32.2940 178.3471 518 D 4.4008 7.9266 118.6928 57.4933 40.6757 178.8932 519 L 4.0582 7.9758 119.4295 57.5244 41.5871 179.5012 520 K 3.9557 8.0311 119.8703 59.3278 32.0464 178.6006 521 E 3.9507 8.2762 119.6909 59.3472 29.6435 178.7819 522 L 3.9566 8.3434 119.4032 57.7522 41.5100 179.2766 523 D 4.3738 8.3634 119.1316 57.3562 40.7624 178.7025 524 S 4.1161 7.9781 113.4915 61.4362 62.5527 176.2694 525 I 3.8426 8.1233 122.7403 64.4208 36.6737 178.0962 526 R 3.9637 8.2463 118.5031 59.8667 29.9382 177.8236 527 D 4.5403 8.3965 118.4617 57.5085 40.5916 178.7878 528 S 4.1046 7.9191 114.5616 61.4979 62.1958 176.0270 529 F 4.5056 8.2171 117.7993 57.6129 38.6889 177.4255 530 Q 4.1849 7.7801 118.5092 58.0546 29.1223 176.5670 531 C 4.3637 7.2805 117.9082 58.2765 29.3112 174.7211 *533 N 4.6282 7.7822 115.5883 54.1125 38.8691 173.7865 534 E 4.7868 7.6891 118.0953 53.4728 34.2711 173.7881 535 P 4.4126 0.0000 0.0000 62.6479 32.0011 176.1443 536 L 4.1571 8.3018 120.9163 55.0282 42.1748 176.2592 537 D 4.7477 8.6445 121.6796 53.8878 41.4309 175.0033 538 N 5.0697 7.8201 115.4635 51.7205 41.7998 174.4174 539 D 4.6782 8.3305 120.9735 55.6301 42.4723 179.1426 540 Q 4.0282 7.9064 118.3036 58.8662 28.9228 178.3720 541 Q 3.9702 8.0162 118.4343 58.9765 28.9075 178.4479 542 A 4.1414 7.6462 120.5916 54.3773 18.1804 179.5667 543 S 4.1080 7.6197 111.1585 61.5721 62.5991 175.9761 544 T 4.0306 7.8130 117.5285 66.4794 68.3340 176.3920 545 L 4.1752 7.8417 120.1138 57.8410 41.6203 179.2297 546 A 4.3208 7.8028 117.9006 52.2181 18.7073 177.3691 547 K 3.8397 7.4867 120.7145 56.0430 32.4671 177.5762 548 K 4.0043 8.8043 126.2040 59.0508 32.5436 176.7929 549 E 4.5567 7.5124 116.9823 54.5234 32.2426 175.2363 550 H 4.8526 8.5934 120.1718 53.7267 29.9481 173.8312 551 N 4.7441 9.2933 124.5044 51.0604 40.1850 173.8393 552 P 4.3303 0.0000 0.0000 66.1845 31.3835 178.7837 553 T 3.8105 7.9984 113.9299 66.9280 68.4044 176.1492 554 D 4.3610 8.4144 120.5647 57.4154 40.6063 178.8889 555 I 3.6371 7.6397 119.3851 64.2756 37.1213 178.1712 556 L 3.8590 7.6185 119.0237 57.7176 41.4558 178.9460 557 N 4.4739 7.7551 115.2875 56.0252 38.8118 178.5142 558 V 3.6597 7.6208 118.4689 63.1261 31.3395 177.2317 *560 D 4.4906 8.0708 117.9538 53.8812 43.2155 176.5570 561 I 3.8339 7.5821 119.4665 64.9651 37.2747 180.2933 562 T 3.9651 7.6546 114.7567 63.9431 67.7365 176.5177 *564 R 4.2420 8.1141 122.7669 56.4179 32.0222 178.3504 565 R 3.8959 7.7681 115.6966 58.7949 29.9710 178.5212 566 L 3.9548 7.7830 119.9430 57.9869 42.3895 178.8872 567 V 3.6322 7.5389 117.8096 65.4536 31.4831 178.3931 568 K 3.6296 7.9753 117.2858 56.9018 32.2785 178.0729 *570 A 3.7733 7.9855 121.9591 51.3821 20.2578 179.9587 571 K 4.1423 7.7821 114.3088 59.5430 32.1372 177.9534 572 R 4.3896 7.6409 113.0645 56.0553 29.7249 175.9770 573 L 4.7544 7.8010 120.8156 53.6439 43.3188 176.1627 574 G 3.8881 8.9538 113.6172 48.3974 0.0000 174.5643 575 A 4.7847 8.2243 124.4484 54.1406 18.4098 179.3645 576 F 4.5964 8.0215 119.5893 61.4455 39.3044 176.5456 577 N 4.6490 8.1658 112.6295 54.1413 38.5161 176.0251 578 E 4.2792 8.0854 120.2262 56.2164 29.9306 175.9015 579 I 4.5402 6.5959 119.7411 59.2293 39.3835 176.1293 580 S 4.3664 8.4950 118.3597 57.9884 64.7372 175.5005 581 E 3.8909 8.6091 121.2314 59.7164 29.2738 179.5480 582 A 4.1656 8.0890 120.2675 55.1234 18.4671 179.7667 583 G 3.6041 8.0074 104.0976 47.6664 0.0000 176.2403 584 K 3.8072 8.0874 120.8985 59.1912 31.9781 179.2341 585 F 4.2376 8.1405 120.8385 61.4505 39.4937 177.1436 586 S 4.0482 8.1610 112.3585 61.3186 62.1199 176.2027 587 L 4.0362 7.9783 121.6988 57.5837 41.1657 179.4639 588 L 3.8370 7.8230 117.8222 57.7705 41.7983 178.7674 589 K 4.1593 7.6612 118.4046 59.8285 31.9778 178.4219 590 G 3.8970 7.9054 104.1829 45.6471 0.0000 174.9429 591 G 3.8833 7.7206 109.0151 43.0697 0.0000 173.5291 *593 I 3.9042 7.4098 123.9678 61.8228 39.8615 178.5370 594 E 3.8007 7.4892 115.4405 57.5538 29.1665 178.5692 *596 L 4.2691 8.0122 120.9497 55.2688 43.8240 179.4202 597 T 4.1393 8.0726 115.1205 66.6386 68.4245 176.7909 598 I 4.0403 8.0483 121.7986 64.7004 36.9666 178.4756 599 R 4.1459 8.1922 118.9760 59.3813 29.6343 178.6023 600 G 3.9334 8.2651 105.1807 47.6258 0.0000 175.6707 601 V 4.1498 8.3605 120.9475 66.2542 31.3856 178.1789 602 T 4.1987 8.0228 107.6673 63.7107 68.9916 175.4710 603 V 4.5012 7.7700 113.6359 61.0303 33.1389 174.8525 604 F 4.8602 8.3201 123.3191 57.2384 40.7555 174.7080 605 N 4.5045 7.6909 124.6987 51.8709 39.4237 175.1821 606 A 3.6098 8.6173 129.8379 55.4506 18.8381 178.3340 607 D 4.3994 7.9512 113.6233 57.3859 41.0920 178.4362 608 K 3.8650 8.7378 117.5357 57.2708 32.4740 177.1077 609 G 3.6886 7.4493 106.7477 45.8957 0.0000 172.9241 610 V 4.7574 6.3039 109.2541 59.5029 37.3270 174.4358 611 W 5.1686 9.0675 122.3657 55.5943 30.9738 175.5347 612 Q 4.6089 9.0075 124.8277 54.3546 29.5903 175.3921 613 T 4.2771 8.0703 120.1962 60.7923 68.1386 174.1100 614 P 4.4191 0.0000 0.0000 65.1327 31.6200 177.8733 615 V 3.8193 7.4870 109.8941 62.7489 31.6909 176.0828 616 D 4.4759 7.8124 119.1873 52.3342 41.7046 174.8632 617 G 3.7541 8.4817 115.2044 46.5855 0.0000 171.1360 618 H 4.5475 8.7435 114.7556 56.3656 25.1562 174.5716 619 S 4.7251 7.7473 113.8780 56.7853 64.8046 172.7829 620 Q 5.1570 8.8729 124.9157 54.2270 33.1124 174.9935 621 I 4.6397 8.4521 121.2431 59.3065 40.5250 175.0700 622 S 4.5215 9.0812 122.5702 58.6510 62.1410 174.2326 623 F 4.1153 9.0239 129.5280 60.8610 39.9971 175.4658 624 N 4.5112 8.3273 117.6399 51.9776 37.0192 175.0493 *626 F 4.5417 8.0460 121.0252 57.2542 41.1945 176.9654 627 D 4.4751 8.0722 118.8003 55.9772 40.5884 176.9845 628 K 4.2525 7.7960 116.9194 56.3701 32.8346 176.2051 629 L 4.1682 7.3873 119.4768 52.4236 43.6577 175.3595 630 R 3.9681 8.6031 118.9733 55.9779 30.3644 175.1367 631 P 4.2156 0.0000 0.0000 65.7984 31.4051 177.6829 632 D 4.6686 7.9820 113.4781 53.7691 40.0246 176.2433 633 I 4.5102 7.4393 118.2769 60.2453 40.1862 176.9869 634 K 3.9440 8.3156 120.6224 60.3773 31.9416 178.7994 635 D 4.1941 7.9211 119.1701 57.4820 40.8189 178.5288 636 T 3.8621 7.8439 115.6975 66.9112 68.5956 176.4914 637 Q 4.0574 7.9319 119.2680 58.4298 28.8148 178.8066 638 K 3.1906 7.3933 119.6369 58.9987 32.0382 179.2956 639 K 4.0934 8.0368 120.0470 59.5473 32.1295 179.1614 640 G 3.7538 8.5073 106.2971 47.4647 0.0000 175.5775 641 F 4.3278 8.2725 122.6439 61.3969 39.5754 177.4883 642 L 3.8518 8.0194 118.0745 57.6468 41.0601 179.1182 643 H 4.2337 8.0746 117.8054 59.2952 30.2285 176.7573 644 F 4.3779 8.0070 122.1077 61.1927 39.2024 176.6919 645 F 3.5110 7.8815 120.1809 61.3282 38.9783 176.7605 646 N 4.4868 8.0445 113.7223 55.2642 38.4563 176.6836 647 L 4.3129 7.2697 118.8565 54.9843 42.5255 176.9962 648 L 4.1185 6.7994 119.2481 52.5901 40.7262 176.2125 649 H 4.0505 7.7698 121.0582 55.0691 31.0055 175.4262 650 S 3.9445 8.4775 116.3717 61.7853 62.1062 176.0369 651 D 4.3478 8.0543 120.1506 56.4049 39.2070 178.2699 652 V 3.8824 7.5442 119.4626 64.0571 31.8450 178.2168 653 R 3.8408 7.9242 118.5782 58.7686 29.9506 178.1003 654 K 4.3968 8.2091 117.3484 56.9670 32.5738 176.9775 655 N 4.6159 7.7334 118.1270 52.3776 39.0787 174.6668 656 D 4.3676 8.7323 128.7381 57.6978 40.9593 179.0739 657 L 3.7436 7.8854 118.1636 57.6338 41.8123 179.0262 658 A 4.0947 8.2129 120.4799 55.4761 18.2081 179.5504 659 I 3.7921 7.8242 111.1296 63.8570 37.5966 178.0995 660 D 3.5404 7.7768 120.3810 56.8526 40.7070 178.4523 661 I 3.7438 7.8909 120.9708 64.2606 36.9206 178.4700 662 I 3.7422 7.3401 112.2811 64.0943 37.6648 178.0113 663 V 3.7638 8.0802 120.2474 65.3628 31.4873 176.5547 664 L 4.2793 7.5691 118.6153 55.1883 41.9095 179.3737 *666 V 4.0904 7.7653 113.4427 61.4251 33.8474 177.2477 667 L 3.9010 7.8570 120.5301 58.0041 42.1625 177.9964 668 F 4.5706 7.7032 118.3156 55.9073 37.1422 173.7529 669 D 4.7796 7.7294 121.2800 52.1715 41.8967 176.9466 670 S 4.3335 8.7397 121.8545 60.1658 63.2205 174.8775 671 K 4.5021 8.0663 119.8738 56.1512 32.1716 176.6794 672 R 4.0884 7.5403 119.0925 55.5577 30.5453 175.8854 673 E 4.0008 8.5365 122.4095 57.5889 29.9965 176.4473 674 G 4.1850 9.0260 114.1918 46.0346 0.0000 174.5713 675 L 4.3750 7.2936 120.0212 54.6037 39.3214 176.5013 676 V 3.9812 7.7116 114.9301 62.5851 33.0264 177.6077 677 S 4.1474 7.9402 114.9457 58.2164 63.1000 174.2742 678 Q 3.9367 8.8219 130.0779 59.2489 28.7700 178.0480 679 Q 3.9290 8.0237 120.0159 59.3461 29.1618 177.7491 680 D 4.3681 7.8628 119.3282 57.2983 40.9103 178.8693 681 K 3.9421 8.2928 120.0559 59.5247 32.2291 178.3900 682 E 3.9867 8.3349 119.1793 59.8831 29.4089 179.6499 683 T 3.8515 8.0878 109.6208 64.8322 68.7891 176.5838 684 V 3.6535 8.2814 121.5743 65.7455 31.5479 177.9012 685 E 4.0191 8.3628 118.3654 59.2875 29.2727 179.2882 686 K 3.9626 8.2332 119.7132 59.4355 32.2723 178.8096 687 L 3.6867 8.0267 119.4687 57.9343 41.4454 179.0784 688 H 4.3659 8.4870 118.1815 59.1897 29.8717 177.1177 689 R 3.9263 8.1496 120.4971 59.7760 29.8592 178.1727 690 N 4.2920 8.2411 116.1276 56.4681 38.4022 177.0273 691 Y 4.2651 7.8996 118.0825 61.0898 37.9431 178.1986 692 E 4.1045 8.3439 120.1832 59.4888 29.6651 178.9756 693 S 4.1247 8.2641 115.0392 61.5343 62.9571 176.1306 694 L 3.9588 8.1200 123.1286 58.4105 41.7808 178.6463 695 L 4.1371 8.2945 120.1144 58.5465 41.8735 178.2624 696 H 3.6892 8.3382 118.0509 59.5450 29.7473 177.5236 697 R 3.9837 8.2742 119.8560 59.0795 29.7302 178.3800 698 Y 4.1997 8.7441 119.8415 60.7916 38.8351 178.0653 699 L 3.8478 8.4960 120.2092 58.2658 41.5298 179.3094 700 Y 3.8368 7.7505 115.3409 60.8733 37.8705 178.3696 701 S 4.6559 8.5175 115.9498 59.9597 63.2417 175.5336 702 I 4.3131 6.8755 114.8446 60.9423 39.2520 175.7015 703 H 4.6044 7.6855 117.1981 55.0135 31.8610 173.6759 704 K 3.7585 8.1231 123.9973 59.1881 33.0985 179.6862 705 E 3.8003 7.1316 117.0715 58.5234 29.6777 177.4778 706 E 4.6153 7.6700 113.4817 54.3049 29.6928 176.1590 707 A 3.8263 7.6763 123.8749 55.5431 18.7811 179.1718 708 E 4.0090 7.7246 117.6776 59.5758 29.7135 178.9401 709 Q 4.0846 7.9442 115.8830 58.9882 28.7045 177.8264 710 R 4.0370 7.6902 119.8976 59.3932 29.7016 178.3619 711 F 4.2312 8.7429 120.6290 61.0058 39.1601 176.5028 712 A 3.7119 8.0569 119.0828 53.5977 18.6843 178.6994 713 S 4.3887 7.6732 112.1889 59.9307 63.6644 176.5464 714 I 3.7041 7.1116 116.8524 63.4051 37.1122 176.4816 715 P 4.2118 0.0000 0.0000 64.9919 31.2539 178.4200 716 K 3.9330 7.9108 118.2796 59.3735 32.1161 178.8042 717 A 4.1312 7.8146 120.6293 55.0457 18.4012 179.3808 718 L 4.0234 8.0930 117.5467 57.4633 41.6686 179.8362 719 V 3.5570 7.4920 118.6833 65.7997 31.4087 177.8902 720 A 4.0178 7.9064 120.2271 54.9544 18.1344 179.3406 721 L 3.0751 7.6411 118.8291 57.8593 42.0381 179.1038 722 R 3.7667 7.6781 118.5123 59.2702 29.8941 178.3741 723 K 3.8861 7.7543 118.7221 59.4972 32.0437 178.6916 724 V 3.6243 7.7025 117.0011 66.2102 31.7930 177.5274 725 A 4.1758 8.1533 120.4264 54.9224 17.7460 179.1371 726 E 3.8964 8.3513 118.1445 58.9828 29.7148 178.4822 727 N 5.3518 7.8031 114.9112 53.4971 39.3054 175.3935 728 A 4.7672 7.7988 124.0240 53.7227 21.1402 180.1935 729 V 3.5386 7.4799 109.9540 64.2932 31.8705 177.7319 730 T 4.6903 7.9042 107.3424 61.2777 69.2212 176.1112 731 L 4.1349 8.1872 124.2410 57.7611 41.7105 178.4684 732 F 4.5365 8.2626 114.6060 56.9332 39.1072 175.3295 733 L 4.2592 8.4281 123.9443 55.4953 41.8827 177.7389 734 G 3.8999 9.1872 111.1321 45.9624 0.0000 173.3919 735 A 4.4715 8.1380 119.7927 51.3597 19.6494 177.8097 736 G 3.8877 8.0892 101.5877 44.1122 0.0000 172.8737 737 N 3.1400 8.1228 117.4890 53.4044 39.1172 174.2855 738 T 4.9658 7.5828 113.5013 60.3294 69.5931 175.6471 739 T 3.9882 7.5934 114.2066 64.9391 68.8288 174.7550 740 E 4.1773 8.0129 117.6799 56.4551 30.3972 176.2072 741 A 4.3820 7.9177 123.2129 51.4922 19.0470 177.1559 742 A 4.0783 8.5930 123.2977 52.9847 19.0123 178.6684 743 S 4.3194 8.6027 116.4861 61.1511 63.7630 176.5119 744 L 4.0159 8.1111 121.4482 58.0815 41.7764 177.3099 745 P 4.4725 0.0000 0.0000 65.3055 31.0834 178.1275 746 K 4.4296 7.6829 115.4699 57.9078 32.0862 178.1842 747 E 4.1183 8.2984 118.6611 57.6743 29.6179 177.0359 748 F 4.3369 8.0393 116.4597 57.3766 40.7061 175.5936 749 F 5.1020 8.0221 118.7046 55.2288 40.1950 176.0015 750 A 4.3372 8.8310 126.5149 52.8487 18.9023 176.6448 751 T 4.8046 8.3194 115.2591 62.4153 72.8324 173.5797 752 N 4.7397 9.0198 120.2249 53.3177 39.0645 175.0231 753 Y 4.2272 7.9665 121.9210 58.1053 38.2896 175.5161 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 512 Y 7.99 5.10 0.00 3.04 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 0.00 513 T 8.32 4.04 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 1.19 0.00 0.00 514 L 8.00 4.46 0.00 1.72 1.69 1.12 1.04 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 0.00 515 S 8.34 4.37 0.00 4.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.66 4.01 0.00 2.03 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 2.40 2.37 0.00 517 K 8.00 3.90 0.00 1.82 1.80 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.53 7.81 518 D 7.93 4.40 0.00 2.97 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 0.00 519 L 7.98 4.06 0.00 1.89 1.74 0.95 0.95 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 0.00 520 K 8.03 3.96 0.00 2.05 1.94 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 521 E 8.28 3.95 0.00 2.28 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 2.31 2.49 0.00 522 L 8.34 3.96 0.00 1.92 1.68 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 523 D 8.36 4.37 0.00 2.90 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 0.00 524 S 7.98 4.12 0.00 3.96 4.04 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 0.00 0.00 0.00 525 I 8.12 3.84 2.01 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 1.75 1.32 0.93 0.00 0.00 526 R 8.25 3.96 0.00 1.84 2.25 0.00 3.34 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 527 D 8.40 4.54 0.00 2.94 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 0.00 528 S 7.92 4.10 0.00 4.08 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.22 4.51 0.00 3.13 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.78 4.18 0.00 2.20 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.66 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 531 C 7.28 4.36 0.00 3.27 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 *533 N 7.78 4.63 0.00 2.80 2.91 0.00 0.00 6.96 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 0.00 534 E 7.69 4.79 0.00 1.90 1.79 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 2.22 2.45 0.00 535 P 0.00 4.41 0.00 2.18 2.07 0.00 3.77 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 1.99 2.00 0.00 536 L 8.30 4.16 0.00 1.66 1.64 0.92 1.00 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 0.00 537 D 8.64 4.75 0.00 2.63 2.63 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 0.00 538 N 7.82 5.07 0.00 2.76 2.61 0.00 0.00 6.97 8.49 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 0.00 539 D 8.33 4.68 0.00 2.78 2.66 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 0.00 540 Q 7.91 4.03 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 541 Q 8.02 3.97 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 542 A 7.65 4.14 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.62 4.11 0.00 4.11 4.02 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 0.00 544 T 7.81 4.03 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 1.22 0.00 0.00 545 L 7.84 4.18 0.00 1.85 1.74 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 546 A 7.80 4.32 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 547 K 7.49 3.84 0.00 1.95 1.73 0.00 1.63 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.34 7.81 548 K 8.80 4.00 0.00 1.89 1.94 0.00 1.56 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.41 7.81 549 E 7.51 4.56 0.00 2.00 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 2.20 2.36 0.00 550 H 8.59 4.85 0.00 3.09 3.21 0.00 5.89 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 551 N 9.29 4.74 0.00 2.93 2.96 0.00 0.00 6.77 7.59 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 0.00 552 P 0.00 4.33 0.00 2.23 2.24 0.00 3.59 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 2.27 2.12 0.00 553 T 8.00 3.81 4.40 0.00 0.00 0.00 0.00 0.00 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 0.00 554 D 8.41 4.36 0.00 2.87 2.77 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 0.00 555 I 7.64 3.64 2.04 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 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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 0.00 0.00 0.00 0.00 0.00 576 F 8.02 4.60 0.00 3.48 3.43 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 0.00 577 N 8.17 4.65 0.00 2.81 2.87 0.00 0.00 7.06 7.82 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 0.00 578 E 8.09 4.28 0.00 2.23 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 0.00 2.29 2.50 0.00 579 I 6.60 4.54 1.77 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.45 0.92 0.00 0.00 580 S 8.49 4.37 0.00 4.05 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 0.00 581 E 8.61 3.89 0.00 1.98 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 2.39 2.32 0.00 582 A 8.09 4.17 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 0.00 583 G 8.01 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 0.00 0.00 0.00 712 A 8.06 3.71 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 713 S 7.67 4.39 0.00 4.02 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 0.00 714 I 7.11 3.70 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.49 0.91 0.00 0.00 715 P 0.00 4.21 0.00 2.09 2.06 0.00 3.48 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.86 0.00 716 K 7.91 3.93 0.00 1.79 2.01 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.45 7.81 717 A 7.81 4.13 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 718 L 8.09 4.02 0.00 1.88 1.72 1.05 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 719 V 7.49 3.56 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 1.01 0.00 0.00 0.99 0.00 0.00 720 A 7.91 4.02 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 721 L 7.64 3.08 0.00 0.36 1.46 0.38 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 722 R 7.68 3.77 0.00 2.04 1.95 0.00 3.28 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.76 0.00 723 K 7.75 3.89 0.00 1.87 1.91 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.45 7.81 724 V 7.70 3.62 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 1.04 0.00 0.00 1.05 0.00 0.00 725 A 8.15 4.18 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 726 E 8.35 3.90 0.00 2.28 2.07 0.00 0.00 0.00 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 2.46 0.00 727 N 7.80 5.35 0.00 2.90 2.91 0.00 0.00 6.92 7.30 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 0.00 728 A 7.80 4.77 1.63 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 0.00 729 V 7.48 3.54 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 0.66 0.00 0.00 0.99 0.00 0.00 730 T 7.90 4.69 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 1.27 0.00 0.00 731 L 8.19 4.13 0.00 2.04 1.41 1.07 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 732 F 8.26 4.54 0.00 3.30 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 0.00 733 L 8.43 4.26 0.00 1.85 1.65 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 734 G 9.19 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 0.00 735 A 8.14 4.47 1.30 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 0.00 736 G 8.09 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 0.00 737 N 8.12 3.14 0.00 2.41 2.52 0.00 0.00 6.71 7.70 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 0.00 738 T 7.58 4.97 4.15 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 1.21 0.00 0.00 739 T 7.59 3.99 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 1.37 0.00 0.00 740 E 8.01 4.18 0.00 2.11 2.20 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 2.29 2.21 0.00 741 A 7.92 4.38 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 0.00 742 A 8.59 4.08 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 0.00 743 S 8.60 4.32 0.00 3.91 3.92 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 0.00 744 L 8.11 4.02 0.00 1.82 1.78 1.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 745 P 0.00 4.47 0.00 2.12 2.08 0.00 3.71 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.16 0.00 746 K 7.68 4.43 0.00 1.84 1.87 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.67 7.81 747 E 8.30 4.12 0.00 1.89 1.62 0.00 0.00 0.00 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 2.32 0.00 748 F 8.04 4.34 0.00 2.90 2.66 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 0.00 749 F 8.02 5.10 0.00 2.77 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 0.00 750 A 8.83 4.34 1.30 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 0.00 751 T 8.32 4.80 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 1.51 0.00 0.00 752 N 9.02 4.74 0.00 2.41 2.62 0.00 0.00 6.84 7.46 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 0.00 753 Y 7.97 4.23 0.00 2.91 2.87 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 * Residues marked with a * may have inaccurate shift predictions.