NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 517 D 4.5793 8.2227 120.1909 54.2463 43.4603 177.3820 518 K 3.7931 7.9244 119.4843 58.6015 32.0826 177.0191 519 R 3.9339 8.1270 118.8663 58.9576 30.3462 177.7931 520 R 3.8554 7.5772 118.4380 59.3724 30.0298 178.6770 521 K 3.9711 7.9677 117.6433 59.6745 32.1520 179.0418 522 T 3.8283 7.7060 115.6010 66.9196 68.4572 176.4008 523 L 3.9722 7.8694 120.5252 57.7595 41.6132 179.8886 524 V 3.5831 7.5338 117.8427 66.1493 31.5420 178.1114 525 I 3.7624 7.9675 119.6463 64.4162 36.7861 178.5555 526 I 3.7554 7.8147 120.5937 64.3362 36.9552 178.2224 527 E 3.9792 8.1891 119.3205 59.3831 29.2066 179.5320 528 K 3.9469 8.1074 118.2371 60.0471 32.1811 179.6065 529 T 3.9298 8.0806 115.8303 66.7492 68.3173 176.1631 530 Y 3.9775 8.4583 121.9211 60.6239 38.8883 177.9459 531 S 4.1405 8.2695 114.2089 61.3604 62.4366 176.1534 532 L 3.9473 7.7561 121.6514 57.5264 41.3120 179.0801 533 L 3.7458 7.8356 120.3062 58.2346 42.1054 179.0934 534 L 3.8732 7.6947 118.7258 57.6722 41.2669 179.0084 535 D 4.2835 7.6671 116.8773 57.4234 41.4801 178.2629 536 V 3.5396 7.7695 118.8030 65.8607 31.2184 177.8775 537 E 4.1649 8.1808 117.8040 58.8582 29.5215 177.9033 538 D 4.6009 7.8410 116.3069 54.9380 41.3773 177.2184 539 Y 4.0817 7.7536 120.3690 61.7119 38.7965 177.8070 540 E 3.8815 8.4497 118.7852 59.2902 29.3293 179.1714 541 R 3.8421 7.8867 117.2844 59.6976 30.5735 178.3545 542 R 4.0002 7.7077 117.4135 59.3227 30.1254 178.4976 543 Y 3.7426 7.9323 119.5818 60.5376 38.5267 178.0206 544 L 4.1426 7.8910 118.7580 56.7250 41.7168 178.3563 545 L 4.5318 7.1882 116.5055 53.4563 42.1842 176.4221 546 S 4.6084 6.7715 113.8421 56.9429 64.7367 173.8886 547 L 4.3201 9.0918 121.6354 53.9223 42.5687 178.0111 548 E 3.8892 8.8751 121.2938 59.8822 29.1501 179.7572 549 E 4.0490 8.0701 115.3442 58.9151 29.9786 178.1588 550 E 4.2396 8.1486 119.1997 58.1597 29.5184 178.8426 551 R 3.9764 7.4849 117.8509 58.6080 30.1738 176.0759 552 P 4.4297 0.0000 0.0000 65.6543 31.7914 177.6058 553 A 4.1450 8.0798 120.4417 55.1509 18.7241 179.2304 554 L 4.0466 8.1337 112.8368 56.7073 42.2137 178.2978 *556 D 4.5393 8.0758 120.1134 54.3175 43.0384 177.0403 557 D 4.3827 8.6927 118.4567 57.1506 41.0987 178.1681 558 R 3.7334 8.1297 119.4080 59.1916 30.0060 178.4386 559 K 3.8652 7.8812 118.9752 59.6782 32.2085 178.1406 560 H 4.1512 8.1380 118.1453 59.2241 29.5905 177.4538 561 K 3.9337 7.8210 119.2705 59.3610 31.8979 179.1600 562 I 3.8253 7.4331 119.2587 64.6868 37.2973 178.0424 563 C 4.4317 8.0548 117.5252 62.6171 27.7794 176.8094 564 S 4.3717 7.9967 114.3788 59.1186 62.3070 175.6642 *566 Y 4.7069 7.8097 123.7418 57.9181 40.3520 176.8589 567 D 4.2386 8.3377 119.5507 57.4302 40.5641 178.5979 568 N 4.4065 8.2087 116.3113 56.2584 38.4227 177.1579 569 L 4.2900 7.7704 120.0393 57.6823 41.6379 179.2005 570 R 4.1205 7.7540 116.6776 55.7574 31.5465 176.2744 571 G 3.2438 8.1788 105.9438 45.3426 0.0000 174.1192 572 K 3.8313 7.6858 118.0429 56.7282 33.2603 175.4030 573 L 4.6653 8.2003 125.5664 52.0818 43.5483 174.1472 574 P 4.2784 0.0000 0.0000 64.0305 31.6123 176.7479 575 G 3.9021 9.1274 110.8545 45.3768 0.0000 172.2923 576 Q 4.5872 7.6722 120.6806 53.7099 31.4283 176.1393 577 E 3.9648 9.0566 125.1467 58.8256 29.8284 177.3175 578 R 4.6317 7.4905 115.9804 53.4731 33.2058 172.8569 579 P 5.2127 0.0000 0.0000 61.8354 32.0062 176.3307 580 S 4.4974 8.1958 115.0393 57.8888 64.1192 174.8024 581 D 4.5455 8.5388 120.4369 57.1237 40.5096 178.1357 582 D 4.3510 8.2730 118.5604 57.7547 40.7877 177.9586 583 H 4.1103 8.1904 117.9133 59.3621 29.8365 176.9245 584 F 4.4136 8.2117 121.8738 60.7474 39.3398 176.7172 585 V 3.6427 7.9302 117.2606 66.0514 31.4123 177.7378 586 Q 4.2207 7.9942 116.8904 58.7119 28.8368 179.1382 587 I 3.7679 7.2229 120.3034 61.5398 36.1592 177.4102 *589 C 4.3973 8.0773 117.8071 59.0984 30.1450 174.4249 590 I 4.2959 7.3725 121.8745 59.3054 38.9622 175.9424 591 R 3.8025 8.5396 124.7462 59.8429 29.6501 178.6778 592 K 4.0236 7.9557 117.1829 59.1003 32.2907 178.4077 593 G 3.7782 7.8634 105.1030 47.7487 0.0000 175.3725 594 K 4.1432 7.9902 120.9127 59.0099 31.9567 180.6384 595 R 4.0426 7.5397 117.0794 56.5092 29.6379 178.9501 *597 V 4.0272 8.0258 119.1950 62.9585 33.1977 176.9703 598 A 3.8656 7.9080 120.1418 55.4093 18.1315 179.3842 599 R 4.1502 7.6258 114.7429 58.3958 30.5318 178.8156 600 I 4.1647 7.7085 119.7907 63.9138 37.3835 177.6629 601 L 3.9902 7.9667 120.1442 57.8302 41.3416 178.0872 602 P 4.1715 0.0000 0.0000 65.0448 31.2221 177.9384 603 F 4.5215 8.0899 115.5710 58.0130 39.4608 176.3810 604 L 4.3073 7.0331 118.0922 53.9423 42.2670 177.6407 605 S 4.2620 8.7555 116.8095 58.4986 64.8695 175.6104 606 T 3.7792 8.3518 119.7471 66.9335 68.2639 176.2525 607 E 3.8736 8.0588 120.4092 59.4263 29.6754 178.7631 608 Q 3.5271 8.0199 117.7441 58.7049 28.6598 178.5878 609 A 4.0500 8.5877 121.8814 55.2238 18.2266 179.4857 610 A 3.9583 8.3488 118.4508 55.2174 18.4497 179.1173 611 D 4.4028 7.7648 115.2483 57.6494 41.7113 178.0413 612 I 3.5733 7.7807 120.3320 64.2367 36.9799 178.1366 613 L 3.7354 7.9219 118.0924 56.0795 41.1660 178.4545 *615 T 4.3004 7.8464 115.9882 63.5467 70.7095 176.4434 616 T 4.0712 8.2140 117.7033 66.7329 68.3348 176.5487 617 A 4.0902 8.3887 123.0406 55.2755 18.2055 179.6293 618 R 3.9852 7.5477 115.7329 58.6733 30.2930 176.9518 619 N 5.0753 7.7943 113.6562 52.7943 39.5611 176.0829 620 L 4.1079 8.0966 123.3608 57.7884 42.1478 177.2334 621 P 4.2354 0.0000 0.0000 65.5869 31.3020 178.3453 622 F 4.2087 8.2354 118.9513 61.2918 39.1984 177.0615 623 L 3.8617 8.0819 117.7594 57.6665 41.7993 179.1440 624 I 3.8546 8.4402 120.1870 64.3698 36.7900 178.5929 625 K 3.9386 7.8380 119.0286 59.2583 31.7067 178.9230 626 K 4.0900 7.4383 115.6313 57.2212 32.3196 177.4737 627 D 4.7016 7.4980 117.5909 53.9179 41.2942 177.2137 628 A 4.0335 7.4876 120.8167 55.5995 18.3555 179.0342 629 Q 4.1582 7.7685 114.9790 58.7231 29.6411 177.1827 630 D 4.3089 8.1480 115.9894 56.7196 41.3997 176.9340 631 E 3.9468 8.2712 115.8140 58.1906 27.2893 175.3143 632 V 4.3044 8.0659 108.9622 60.9459 33.1630 178.2785 633 L 3.6389 8.1450 122.4028 57.5331 41.3301 177.5574 634 P 4.5347 0.0000 0.0000 65.3354 31.0269 177.7838 635 C 4.3189 7.8732 112.2039 60.2155 29.8349 174.9425 636 L 4.0700 7.9712 121.4693 55.9862 41.4121 178.4988 637 L 4.2743 7.9615 121.2698 58.1766 42.1234 178.7273 638 S 4.1076 8.0881 112.7819 60.8924 62.4590 174.1242 639 P 4.2230 0.0000 0.0000 66.0343 30.9933 178.2450 640 F 4.7225 8.0579 117.6879 60.3597 38.5877 177.7693 641 S 4.2815 8.5414 113.6068 61.3252 63.1548 176.0619 642 L 4.0301 8.0034 123.8992 57.8175 41.8524 178.5001 643 L 4.1152 8.0971 120.3252 58.4744 42.0601 178.8891 644 L 4.1525 8.1413 118.6670 58.0742 41.3374 178.7028 645 Y 4.0290 8.1242 114.5002 59.6927 37.9287 175.9661 646 H 4.8006 8.3372 116.2571 55.3566 29.5529 174.5093 647 L 4.7293 7.3957 119.6477 52.1264 43.9010 175.2146 648 P 4.5161 0.0000 0.0000 61.9425 33.7200 177.3452 649 S 3.8585 8.3719 112.1802 61.5955 62.1753 176.1519 650 V 3.5852 7.7540 120.2146 66.3308 31.2075 178.0507 651 S 4.1466 7.9376 114.2002 61.6238 62.7730 176.5536 652 I 3.7330 7.7854 122.5518 64.5629 36.7864 178.6818 653 T 4.1441 8.3343 116.9870 66.8190 68.3455 176.8447 654 S 4.1540 8.1503 117.0121 61.5539 62.6329 176.7027 655 L 3.9596 7.7577 120.2543 57.8266 41.7277 179.1754 656 L 4.1089 7.9420 118.6317 58.0220 41.4254 179.3196 657 R 3.8517 8.1250 117.3799 59.9487 29.9767 177.8865 658 Q 4.0236 7.9400 117.5555 58.2064 30.2344 177.3069 659 L 4.1873 7.7774 122.3771 52.5075 39.0052 176.3492 *661 N 4.6825 7.2866 114.9357 53.1572 40.5593 174.5530 662 L 4.8759 8.7622 121.3356 51.6381 45.5211 174.2728 663 P 4.3281 0.0000 0.0000 64.5409 31.3976 177.4671 664 G 3.9606 9.3778 110.3565 45.9635 0.0000 174.0983 665 S 4.2828 8.2482 116.4834 56.4176 65.2745 171.7946 *674 P 4.4488 0.0000 0.0000 62.3861 32.4144 177.1639 675 H 3.9993 8.1310 122.6488 60.1525 30.1742 175.7365 676 L 3.9946 8.0466 121.2344 58.4789 41.8483 178.4899 677 T 3.8457 7.9233 114.2511 66.8580 68.6627 175.9619 678 A 4.1271 7.9264 122.0547 55.1610 18.4513 179.7885 679 V 3.5766 7.8211 116.8049 66.2310 31.5918 178.2660 680 L 4.1231 8.3505 118.6592 57.1282 41.1881 178.3611 681 Q 4.6694 7.5856 116.9503 54.2532 29.5483 174.7309 682 N 5.0151 7.5891 119.9301 51.1564 41.5941 174.8083 683 K 3.8660 8.9053 126.8228 59.8357 32.8716 178.5166 684 F 4.3077 8.6540 119.9912 61.2594 39.3542 176.7091 685 G 3.6230 8.8985 105.7856 47.9869 0.0000 175.0745 686 L 3.9377 8.4314 123.6247 57.7233 42.1010 179.3031 687 S 4.0927 8.0059 114.9451 61.4273 62.7637 176.3555 688 L 3.7587 7.9882 123.2659 57.9565 41.6928 178.5655 689 L 3.8893 7.8587 120.1918 58.3146 41.9284 178.9251 690 L 4.0214 8.0224 118.9226 57.9176 41.6099 179.6963 691 I 3.7862 7.8014 112.8777 63.6963 37.3941 178.3974 692 L 3.9697 7.9495 120.9570 57.6129 41.4122 179.1575 693 L 4.1679 8.0854 119.0310 58.1280 41.5385 179.6448 694 S 4.1361 8.2481 112.9648 61.3746 62.2561 176.1652 695 R 3.9103 8.2219 121.6378 59.0513 29.7858 178.6058 696 G 2.8977 8.2249 105.9201 47.5186 0.0000 175.0938 697 E 3.9066 8.3794 122.5114 58.9331 29.4125 178.2054 698 D 4.3749 7.9023 117.8793 57.7618 41.0127 179.0073 699 L 3.9655 7.4907 117.5215 57.8690 41.8394 179.3783 700 Q 3.9977 7.7587 118.0142 58.6622 28.3669 178.1382 701 S 4.5299 7.6720 110.0524 58.7308 63.4905 175.2103 702 S 4.5776 8.1162 114.6554 59.0911 65.3516 170.1710 703 D 4.0202 7.8887 125.6701 54.0531 40.6150 173.6551 *709 T 4.3246 7.5494 112.8495 62.0132 71.2771 175.7021 710 Q 4.1524 7.7295 121.7963 57.4549 29.1666 177.9849 711 N 4.5253 8.1868 117.9212 56.3976 39.0520 176.3432 712 N 4.8322 8.1328 119.5617 55.3862 38.6429 177.4076 713 Q 4.0312 8.0224 119.2658 58.6086 28.6935 178.2419 714 W 4.3030 8.1570 128.1841 60.8130 31.1709 177.5909 715 T 3.8303 8.2260 109.7483 64.8256 67.8243 175.8029 716 E 4.1385 8.0370 121.0642 58.7633 29.7926 180.4592 717 V 3.6453 7.2506 115.9447 62.8798 31.7892 176.0856 *719 F 4.5001 7.9677 112.8428 56.9084 40.6991 176.8807 *721 A 4.2072 8.0344 125.2156 52.4571 20.2975 180.1127 722 T 3.7531 7.6541 106.1284 64.7088 68.8130 176.3918 723 R 3.8359 7.9945 121.6108 59.3483 30.1517 178.1794 724 E 3.9409 8.0764 118.4457 59.1666 29.4691 178.5146 725 L 3.9581 7.8263 118.4074 57.7487 41.7110 179.1939 726 L 4.0683 8.0391 118.5171 57.6387 41.6118 179.1938 727 R 3.9805 7.8793 117.9790 58.2176 30.4447 177.0845 728 I 3.8187 7.2331 118.4861 59.7897 38.8061 173.6930 729 P 4.3131 0.0000 0.0000 62.7781 31.9663 177.0721 730 Q 3.9048 8.8610 122.8891 59.2102 29.1428 178.4076 731 A 4.0575 7.9339 118.7869 54.4969 18.7559 178.1658 732 A 4.1899 7.9821 119.3157 54.6194 18.9173 177.7980 733 L 4.4025 7.4919 115.6928 54.8314 42.1133 177.7990 734 A 4.2993 8.4786 125.7700 51.5684 19.8058 176.4373 735 K 4.3464 8.3361 120.5715 54.6271 32.7596 174.8866 736 P 4.5032 0.0000 0.0000 62.4748 32.1738 176.8425 737 I 3.9662 8.6715 123.8849 63.8751 37.2531 176.9211 738 S 4.6766 7.7208 111.5200 56.4866 65.8005 173.7261 739 I 4.3650 8.0476 122.5941 58.4792 37.6969 173.5605 740 P 4.3344 0.0000 0.0000 63.3217 31.6822 176.7363 741 T 4.5372 8.4465 110.2850 61.8563 69.4762 174.6941 742 N 4.9220 7.8224 118.5636 52.9749 37.9247 176.4410 743 L 3.8158 7.8245 121.5497 57.9011 41.6562 179.0677 744 V 3.7119 7.8203 117.8487 66.1487 31.2629 177.5935 745 S 4.0758 8.0734 110.8010 61.5237 62.5589 175.2994 746 L 4.4057 7.5743 123.5363 57.9684 41.7128 179.0970 747 F 4.6494 8.3117 117.7564 60.6186 38.6565 177.6451 748 S 4.1730 8.2939 112.1392 61.1998 62.1821 176.0308 749 R 3.9091 7.8126 119.1372 57.9655 29.7826 176.5864 750 Y 4.6353 8.0899 114.2092 57.5075 40.1478 175.5177 751 V 4.6323 7.5564 111.0584 58.4997 35.8659 174.8718 752 D 4.7304 8.2982 121.5917 52.4507 41.8052 177.1020 753 R 3.8755 8.4677 118.4431 59.7966 29.8596 178.1411 754 Q 3.9858 8.0617 117.0459 59.0369 28.7477 178.8456 755 K 3.9608 8.8348 119.8848 59.2232 31.9852 179.0388 756 L 3.9362 8.1988 120.8878 58.4416 42.0029 178.7999 757 N 4.3262 8.5293 116.6389 56.2081 38.3478 177.1715 758 L 3.9380 7.8115 121.7088 58.1640 42.1353 179.0933 759 L 3.8664 8.1115 119.1875 57.6521 41.4949 179.2324 760 E 3.9863 8.5077 118.9661 59.7696 28.9453 179.6790 761 T 3.8873 7.9377 115.5710 66.6174 68.3375 177.0944 762 K 4.6179 8.0732 120.7705 58.4907 32.2066 178.5608 763 L 4.3965 8.0081 115.9884 53.3504 42.9472 176.2924 764 Q 3.4425 7.4907 116.3474 56.8809 26.7632 174.2288 765 L 4.3024 7.9786 116.1837 54.7564 42.8178 177.8046 766 V 4.6159 8.0874 114.4184 59.8290 34.8373 175.8985 767 Q 4.1232 8.3600 119.1477 56.7260 28.2579 174.4008 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 517 D 8.22 4.58 0.00 2.77 2.72 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 0.00 518 K 7.92 3.79 0.00 1.95 1.79 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.56 7.81 519 R 8.13 3.93 0.00 1.91 1.90 0.00 3.23 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 520 R 7.58 3.86 0.00 1.97 1.98 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 521 K 7.97 3.97 0.00 2.01 1.85 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.53 7.81 522 T 7.71 3.83 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 1.16 0.00 0.00 523 L 7.87 3.97 0.00 1.86 1.70 0.90 0.86 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 0.00 524 V 7.53 3.58 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 1.04 0.00 0.00 0.97 0.00 0.00 525 I 7.97 3.76 2.02 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 1.56 0.99 0.95 0.00 0.00 526 I 7.81 3.76 2.02 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 1.52 0.85 0.88 0.00 0.00 527 E 8.19 3.98 0.00 2.15 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 2.51 2.48 0.00 528 K 8.11 3.95 0.00 1.84 1.89 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.63 7.81 529 T 8.08 3.93 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 1.26 0.00 0.00 530 Y 8.46 3.98 0.00 3.22 3.11 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 0.00 531 S 8.27 4.14 0.00 4.02 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 0.00 532 L 7.76 3.95 0.00 1.88 1.65 0.92 0.80 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 0.00 533 L 7.84 3.75 0.00 1.62 1.46 0.98 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 534 L 7.69 3.87 0.00 1.81 1.64 1.00 0.62 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 0.00 535 D 7.67 4.28 0.00 2.67 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 0.00 536 V 7.77 3.54 1.54 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 -0.31 0.00 0.00 0.72 0.00 0.00 537 E 8.18 4.16 0.00 1.91 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 2.69 2.48 0.00 538 D 7.84 4.60 0.00 2.89 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 0.00 539 Y 7.75 4.08 0.00 3.08 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 0.00 540 E 8.45 3.88 0.00 2.09 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 2.64 2.44 0.00 541 R 7.89 3.84 0.00 1.81 2.17 0.00 3.25 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 542 R 7.71 4.00 0.00 1.87 1.90 0.00 3.17 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.90 0.00 543 Y 7.93 3.74 0.00 2.29 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 0.00 544 L 7.89 4.14 0.00 1.84 1.73 0.95 1.07 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 0.00 545 L 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7.93 4.06 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 732 A 7.98 4.19 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 0.00 733 L 7.49 4.40 0.00 1.65 1.62 0.90 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 734 A 8.48 4.30 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 0.00 735 K 8.34 4.35 0.00 1.77 1.75 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.54 7.81 736 P 0.00 4.50 0.00 2.10 1.99 0.00 3.75 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 737 I 8.67 3.97 1.92 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 1.40 0.52 0.95 0.00 0.00 738 S 7.72 4.68 0.00 3.93 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 0.00 739 I 8.05 4.36 1.90 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 1.45 0.71 0.96 0.00 0.00 740 P 0.00 4.33 0.00 2.05 2.03 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.13 0.00 741 T 8.45 4.54 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 1.23 0.00 0.00 742 N 7.82 4.92 0.00 2.84 3.03 0.00 0.00 6.21 6.67 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 0.00 743 L 7.82 3.82 0.00 1.77 1.76 0.99 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 744 V 7.82 3.71 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 1.20 0.00 0.00 1.00 0.00 0.00 745 S 8.07 4.08 0.00 3.90 4.07 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 0.00 746 L 7.57 4.41 0.00 1.73 1.57 1.21 0.35 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 0.00 747 F 8.31 4.65 0.00 3.17 3.02 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 0.00 748 S 8.29 4.17 0.00 4.03 4.07 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 0.00 749 R 7.81 3.91 0.00 1.35 1.08 0.00 3.27 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.68 0.00 750 Y 8.09 4.64 0.00 2.87 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 0.00 751 V 7.56 4.63 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 0.87 0.00 0.00 1.07 0.00 0.00 752 D 8.30 4.73 0.00 2.96 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 0.00 753 R 8.47 3.88 0.00 1.91 1.99 0.00 3.19 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 754 Q 8.06 3.99 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 755 K 8.83 3.96 0.00 1.87 1.84 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.45 7.81 756 L 8.20 3.94 0.00 1.87 1.88 1.05 1.02 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 0.00 757 N 8.53 4.33 0.00 2.94 2.86 0.00 0.00 6.70 6.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 758 L 7.81 3.94 0.00 1.75 1.81 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 759 L 8.11 3.87 0.00 1.70 1.37 0.36 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 760 E 8.51 3.99 0.00 2.17 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 2.39 2.55 0.00 761 T 7.94 3.89 4.38 0.00 0.00 0.00 0.00 0.00 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 0.00 762 K 8.07 4.62 0.00 1.65 1.84 0.00 1.61 0.00 0.00 1.49 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.53 7.81 763 L 8.01 4.40 0.00 1.72 1.74 0.88 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 764 Q 7.49 3.44 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.89 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 765 L 7.98 4.30 0.00 1.71 1.68 1.16 0.79 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 0.00 766 V 8.09 4.62 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 0.79 0.00 0.00 0.95 0.00 0.00 767 Q 8.36 4.12 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.65 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.