NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 525 L 4.3772 8.0433 120.7675 53.9062 43.2129 178.8521 526 P 4.3282 0.0000 0.0000 63.9342 31.8878 176.1959 527 Q 4.1938 8.8872 118.8877 58.4031 29.9776 177.4602 528 L 4.1203 7.2985 115.4752 57.0571 42.0752 177.8706 529 T 4.5565 7.2078 115.3551 60.4779 67.9321 171.6452 530 P 4.3659 0.0000 0.0000 62.7693 31.9651 178.1120 531 T 4.3086 7.8808 111.4666 60.9059 71.3306 175.8822 532 L 4.0189 8.2513 122.6086 58.1803 42.1577 179.1678 533 V 3.7044 7.9226 119.0510 64.7407 31.2286 178.3656 534 S 4.1567 8.2241 115.0149 61.0565 62.7950 176.3333 535 L 3.9642 7.6836 122.9795 57.9856 41.6860 178.6187 536 L 4.0259 7.6304 117.5432 58.8715 41.7511 178.6612 537 E 4.0020 8.6285 118.1284 58.5310 29.0159 179.7962 538 V 3.7581 7.7442 121.1407 66.0397 32.3598 178.0882 539 I 4.2727 7.5162 109.2156 60.2493 37.8223 175.2957 540 E 4.0836 8.6164 124.2052 55.6293 29.8197 174.8286 541 P 4.4303 0.0000 0.0000 62.5243 32.0166 176.1075 542 E 4.2067 8.4923 120.6743 56.1404 30.1236 176.7694 543 V 3.8216 8.1614 120.6493 62.5585 32.1679 175.4812 544 L 4.7980 8.2371 126.6620 53.4965 43.6335 175.4570 545 Y 4.4498 8.4872 118.1662 56.7717 39.5164 175.9806 546 A 4.2138 9.1744 125.0082 52.3844 19.5473 177.8185 547 G 3.9907 8.1610 103.6560 46.5816 0.0000 173.2563 548 Y 4.3056 7.9755 119.4002 55.5575 40.2765 173.6409 549 D 4.4285 8.0601 126.8917 54.4199 40.8066 176.1876 550 S 4.5154 8.6454 121.4747 59.5031 62.7171 174.3551 551 S 4.6446 8.4855 113.2965 58.5262 63.2206 173.8515 552 V 4.3468 6.8718 119.5599 60.3467 33.1674 173.7003 553 P 4.4648 0.0000 0.0000 62.9097 31.8251 175.7498 554 D 4.9865 8.6203 119.2032 53.2665 42.4200 176.7364 555 S 4.7842 8.2373 114.5673 56.3655 67.2148 175.1561 556 T 3.8932 8.7078 119.9154 66.6099 68.1666 176.4754 557 W 4.0543 8.2876 129.7129 60.5890 30.7235 177.8796 558 R 3.6362 8.4495 118.5554 59.3472 29.4940 178.5757 559 I 3.5760 7.7759 119.5625 64.6273 37.1493 178.1669 560 M 3.7645 7.9433 119.6312 58.7376 31.7496 179.1082 561 T 3.4274 7.2368 115.5854 66.7698 68.5433 177.1413 562 T 3.8719 7.8543 117.6947 66.3705 68.3281 176.7523 563 L 3.9330 7.9460 121.3710 57.2312 41.5181 179.1679 564 N 4.2743 7.9409 116.7497 56.4096 38.3880 177.3173 565 M 4.0064 7.7941 119.9678 58.3306 32.1223 178.4842 566 L 4.0825 7.9947 120.5647 58.2024 42.1782 179.2903 567 G 3.8115 8.4804 106.1532 47.6442 0.0000 175.6714 568 G 3.7738 8.3067 108.3792 47.9973 0.0000 176.0125 569 R 4.0805 7.9137 120.0646 58.6918 29.9587 179.2592 570 Q 4.0686 8.1713 118.3297 58.7432 28.8550 178.6965 571 V 3.6907 8.3088 119.7595 66.1036 31.5134 177.9664 572 I 3.7291 7.8595 119.3614 64.6273 36.9625 178.3067 573 A 4.1025 8.0428 120.6788 54.9773 18.1332 179.5440 574 A 4.1541 8.2702 119.5558 55.0460 18.3781 180.1449 575 V 3.5971 7.7283 116.8275 66.1104 31.4578 178.1438 576 K 3.9937 7.7516 117.9908 59.1004 32.3022 178.4105 577 W 4.2530 8.2694 128.5256 60.3651 30.7014 177.7011 578 A 2.9049 8.3615 121.0929 54.9903 17.4983 179.8576 579 K 4.0936 7.8091 114.8582 58.8914 32.1683 178.5035 580 A 4.4615 7.3356 118.7102 51.3783 19.2059 177.1699 581 I 3.5821 7.0463 120.3391 59.7541 37.2742 173.8086 582 P 4.3106 0.0000 0.0000 64.6702 31.8883 174.7808 583 G 4.2360 9.2686 111.4952 46.1976 0.0000 175.2574 584 F 4.0125 8.7830 122.0808 61.2022 39.4518 177.3856 585 R 3.9979 8.1683 117.4682 59.2774 29.9321 177.7267 586 N 4.4756 7.7547 113.7377 55.1979 38.8200 175.7724 587 L 4.1004 7.2755 117.9096 54.1990 42.4452 176.9810 588 H 4.0627 8.5054 120.5914 56.4207 31.7301 176.1821 589 L 3.9154 8.3920 127.8893 58.6137 41.8869 179.2431 590 D 4.3731 8.3513 118.3004 57.1793 40.7326 178.2575 591 D 4.2551 7.8770 118.9549 57.4912 41.0077 178.3607 592 Q 3.7711 7.7582 118.4354 59.4887 28.6947 179.3947 593 M 4.1420 7.9749 119.0667 58.7121 32.0186 178.9309 594 T 3.8556 7.7633 117.2048 66.0163 68.4101 176.6924 595 L 4.2569 8.2695 121.0274 57.6340 41.8361 179.4755 596 L 4.2406 8.1740 119.0197 57.8643 41.1956 179.4550 597 Q 4.2078 8.3710 118.1541 59.3481 28.4246 178.4664 598 Y 4.8611 8.1893 116.9959 59.9263 37.8648 177.0612 599 S 5.0710 8.2179 112.7808 57.4074 63.9331 175.6046 600 W 4.4457 8.4975 121.4301 60.4210 27.5556 177.5316 601 M 3.5697 6.8609 117.4416 57.1931 31.6538 177.5788 602 Y 3.8901 7.7620 116.8430 61.1131 38.1394 178.3018 603 L 4.0712 8.3113 120.0031 57.8631 41.5946 179.4617 604 M 4.0671 8.3560 118.5909 58.5029 32.0368 178.6229 605 A 3.9374 8.2345 121.1261 55.1209 18.4284 179.5277 606 F 4.1410 8.4835 118.9233 61.3191 39.4625 177.3833 607 A 4.3007 8.1972 121.8273 54.5643 18.1636 179.3975 608 L 3.8328 8.2976 119.2405 58.0222 42.1538 179.0463 609 G 3.6303 8.2888 106.1228 47.6950 0.0000 175.0600 610 W 4.0609 8.1118 131.4451 60.0492 30.4088 177.8630 611 R 3.6918 7.9100 116.6688 59.5564 29.8038 178.9668 612 S 4.0622 8.2317 114.8635 61.5471 62.6024 175.7291 613 Y 4.1587 7.8586 121.3938 61.0006 38.4856 178.4987 614 R 3.4657 6.9949 114.0764 55.2390 29.9275 176.5508 615 Q 4.4168 7.4568 116.7749 55.7042 30.7378 172.8692 *618 A 4.0251 8.3135 125.5640 52.0527 20.1786 175.8637 619 N 4.7178 8.3023 116.2876 53.0647 37.7637 175.7145 620 L 4.7164 7.2593 116.9811 52.6943 45.1301 176.9536 621 L 4.0894 7.9828 122.6480 54.4866 42.2225 177.4440 622 C 4.3786 8.0760 126.1484 57.8221 26.6746 173.7180 623 F 4.0202 7.9744 119.6621 60.4986 39.5512 176.0486 624 A 4.3813 7.7947 119.9314 50.4592 22.1842 175.1391 625 P 4.3292 0.0000 0.0000 65.0993 31.4267 177.2431 626 D 4.9297 7.9787 114.4624 52.7919 39.6453 176.4936 627 L 4.5022 8.3286 123.5245 53.8046 43.4139 173.1308 628 I 4.6259 7.9546 123.3630 59.1482 39.4398 175.5444 629 I 4.2046 8.9566 129.2494 60.6301 37.1037 175.5304 630 N 4.8339 8.2643 126.5922 51.3713 40.6506 174.6775 631 E 4.3618 8.7083 119.0443 60.0739 29.7248 178.6678 632 Q 4.1329 8.1357 118.4489 59.6839 28.9618 178.9632 633 R 3.9312 8.0209 118.2443 59.6025 29.9181 178.5939 634 M 4.0850 8.9863 117.9609 58.6871 32.2337 177.4859 635 T 4.2710 7.6285 107.0937 61.1604 70.0443 175.1126 636 L 4.0742 7.5179 123.2304 54.2010 42.3142 174.6555 637 P 4.2643 0.0000 0.0000 64.7003 31.3400 176.8519 638 G 4.1789 9.0309 110.4882 46.8855 0.0000 173.6821 639 M 4.2173 8.2994 120.6175 58.5239 32.6575 177.9483 640 Y 4.0294 8.1534 119.2591 60.5350 39.0835 176.8682 641 D 4.5207 8.3043 117.1675 55.7502 41.6231 175.7594 642 Q 4.6322 8.0595 117.5225 58.1533 31.4932 176.7156 643 C 4.1393 8.3559 115.8506 62.6709 28.0331 176.0740 644 K 3.4160 7.6349 120.5087 60.2632 31.6748 178.9819 645 H 4.2125 8.0615 117.2486 58.9111 28.6633 177.5451 646 M 4.0423 8.0114 120.0107 58.3767 31.7209 178.5114 647 L 3.9210 8.4670 119.4882 58.0213 41.8164 178.8528 648 Y 4.0730 8.5575 119.6495 60.6704 38.6582 178.4497 649 V 3.2415 7.6290 118.5705 65.9471 31.7720 177.7324 650 S 3.9701 7.8779 113.0515 61.5969 62.1305 176.4022 651 S 4.1602 8.2544 116.8621 61.0096 62.7637 176.3321 652 E 3.7271 7.7100 122.3727 59.2594 29.1871 179.0443 653 L 3.7161 7.5465 118.9396 58.0665 41.6949 179.2156 654 H 3.6603 7.5245 117.4906 58.7612 29.5806 177.2211 655 R 3.8646 8.2101 120.1652 59.2253 30.0641 177.7659 656 L 4.2168 7.8423 115.3869 53.9905 42.7048 176.3993 657 Q 3.2552 7.5237 117.2258 56.4567 26.9124 174.8890 658 V 3.8114 7.5129 116.5591 63.0868 32.5339 176.3503 659 S 4.8386 9.3608 123.0488 57.8185 65.3755 174.8012 660 Y 4.0203 8.7381 122.0322 60.9710 38.6187 177.6608 661 E 3.8630 8.2546 119.0939 59.2724 29.5413 178.9529 662 E 3.9739 8.0909 118.5482 59.2183 29.2674 178.7267 663 Y 4.0513 7.6893 119.6926 60.5474 38.8497 177.9780 664 L 3.3491 7.4734 119.9130 57.9447 41.8558 179.4444 665 C 4.1231 7.7504 116.2409 63.0686 28.0312 176.1459 666 M 3.8895 8.1363 120.5576 58.0380 31.4830 178.7866 667 K 3.5724 7.9685 120.0868 59.7134 32.1387 178.9512 668 T 3.9574 7.4688 114.5921 66.7774 68.6679 176.2730 669 L 4.1095 7.6438 120.3221 57.5109 41.3592 179.4640 670 L 3.8507 7.4314 118.5484 57.4686 41.5368 178.7801 671 L 4.2686 7.6040 120.5214 56.5165 41.9625 177.9564 672 L 5.0654 7.4503 117.4862 54.4917 43.3985 176.9150 673 S 4.6776 7.8555 112.5475 58.7528 64.5079 173.4050 674 S 5.0497 7.6690 115.8888 57.5908 66.8159 173.7197 675 V 4.6228 8.4926 116.0412 58.7090 36.5841 172.9749 676 P 4.7278 0.0000 0.0000 63.5808 31.7130 178.5201 677 K 3.8696 9.1005 127.9866 58.2387 31.7137 177.4779 678 D 4.5371 7.8898 114.7972 53.4498 40.3033 180.0690 679 G 4.0212 7.7356 104.2872 45.8403 0.0000 173.6408 680 L 4.3150 7.9334 120.3331 53.5553 42.6120 177.7567 681 K 4.1254 8.9218 119.7985 58.7247 32.5011 179.0091 682 S 4.8295 8.6385 116.2418 57.7520 63.0941 175.9279 683 Q 3.9638 8.0401 124.2252 59.2157 29.0605 176.6195 684 E 3.9238 8.0879 119.8722 59.3297 29.8950 178.4371 685 L 4.0044 7.9327 119.8561 57.8613 42.0999 178.5213 686 F 4.0620 8.5183 120.9728 61.4735 39.4919 176.7666 687 D 4.3575 8.3839 118.4870 57.7704 40.5484 178.0297 688 E 3.9197 8.1939 119.5850 58.4951 29.7275 178.5401 689 I 3.6040 7.9085 119.4705 64.7688 37.4446 178.3464 690 R 3.8234 7.8229 119.1905 59.5258 29.8755 178.2433 691 M 4.0846 7.9078 117.8642 58.7605 32.2015 178.0748 692 T 3.7387 8.2420 116.4498 67.0149 68.5804 175.7855 693 Y 4.2008 7.8013 117.1545 60.1820 37.8992 178.0122 694 I 3.9301 8.0094 121.3426 64.3257 37.2098 178.5209 695 K 4.0280 8.2706 119.4642 59.2664 31.8838 178.9282 696 E 3.9099 8.2308 119.7137 59.2687 29.5426 178.6135 697 L 4.0703 8.3532 120.5704 58.0731 42.1753 179.1964 698 G 3.5807 7.9023 105.6747 47.8235 0.0000 175.7840 699 K 3.9331 8.1407 120.8880 58.9882 31.7825 179.2591 700 A 3.9978 7.6916 120.2412 55.2347 18.3828 179.4177 701 I 4.1468 7.5549 118.4921 64.0759 37.2557 178.5058 702 V 3.7618 7.6424 120.2588 66.1401 31.2931 177.9886 703 K 3.7641 7.4869 125.8542 58.6449 33.1437 180.6518 *709 S 4.7356 8.1470 118.3060 59.1764 64.6087 179.2296 710 Q 4.5330 7.9170 115.6508 56.6514 28.2525 177.9914 711 N 4.2445 8.8099 121.5162 56.4507 38.5704 177.2251 712 W 4.3628 8.2014 122.2100 60.3228 29.2822 179.1540 713 Q 4.1944 8.2695 120.4155 60.2678 27.6252 180.9977 714 R 4.4144 8.3340 122.4536 58.7105 30.1295 178.2989 715 F 4.0590 8.5341 120.6181 61.5377 39.3514 176.4875 716 Y 4.1894 8.5477 119.1573 60.6592 38.1279 178.1155 717 Q 3.9268 8.1189 118.8262 59.0669 28.9545 178.5500 718 L 3.9540 8.1839 120.6238 57.9698 41.6405 179.6359 719 T 3.3780 7.4662 109.2077 63.6272 68.7151 176.9498 720 K 3.8084 7.5999 123.1319 59.1245 31.9464 178.3713 721 L 3.9397 7.6551 119.5429 58.1908 42.1868 178.4038 722 L 4.0333 7.7785 118.7809 58.1654 41.6441 179.3459 723 D 4.5252 8.1827 118.7283 57.5127 40.7699 179.1309 724 S 4.2685 8.1711 114.5613 61.5103 62.9423 176.2126 725 M 4.1682 7.9870 122.3115 58.4957 31.4925 178.4484 726 H 4.3526 8.2029 116.5630 58.8666 28.9294 177.3385 727 E 3.8695 8.1616 120.6323 59.0903 29.5207 178.3758 728 V 3.4496 7.4834 117.9949 66.4661 31.4633 178.3246 729 V 3.2361 7.6423 117.5053 65.4081 31.1687 177.3647 730 E 3.8384 8.2852 119.6896 59.4081 29.4711 178.7222 731 N 4.1414 7.9491 116.0751 56.3665 38.2128 177.1409 732 L 4.1474 7.5605 121.6345 57.4845 41.5783 179.8711 733 L 3.4148 7.7579 118.4441 57.0774 41.4028 178.9308 734 N 4.4613 7.5769 116.1178 56.7128 38.3868 176.5898 735 Y 4.5649 7.9511 119.2830 59.5518 38.9706 176.7889 736 C 4.1488 7.4899 119.0314 62.3481 32.0863 175.2354 737 F 4.5435 8.7578 120.5390 60.6927 38.4176 177.2304 738 Q 4.1201 8.6769 119.5383 59.9270 28.6585 178.7875 739 T 4.0614 7.5058 114.6441 66.7028 68.4974 176.0489 740 F 4.3522 8.1677 121.7576 60.7892 39.4957 176.6596 741 L 4.3539 8.0486 116.8847 54.7064 41.9139 176.3384 742 D 4.5797 7.4119 119.3410 53.6712 41.8441 176.1497 743 K 4.2128 8.6956 126.4560 59.0346 32.6034 178.8430 744 T 4.1276 8.2925 107.6193 63.3618 68.6886 174.5255 745 M 4.4510 7.3522 123.7936 53.7228 31.6178 174.8986 746 S 4.3285 8.4141 117.9648 58.1987 61.4981 172.2218 747 I 4.5120 8.1052 127.9936 58.9273 40.4201 175.0708 748 E 4.4032 8.6488 124.2168 55.1002 30.4019 172.1466 749 F 4.8831 8.7062 123.0174 53.9131 41.5400 174.5951 750 P 4.5676 0.0000 0.0000 62.3836 33.3608 177.3392 751 E 3.9487 8.8195 119.2016 60.1125 29.6104 179.1042 752 M 3.7886 8.0669 117.5486 58.9227 32.2226 178.2478 753 L 3.5967 7.8095 117.8590 57.6283 41.9287 178.9696 754 A 3.6682 8.0614 120.7645 55.1682 18.2197 179.0358 755 E 3.7652 8.4810 117.8839 59.7707 29.5073 179.1668 756 I 3.5639 7.1593 118.0458 64.2672 37.3665 178.4069 757 I 3.6709 7.9068 120.8809 64.4925 36.5963 178.5578 758 T 3.6711 7.7665 116.9047 66.5733 68.1578 176.0057 759 N 4.3079 8.0542 116.4088 55.4227 38.6624 175.6917 760 Q 4.5695 7.7525 118.6022 58.0917 29.8776 177.3562 761 I 3.3439 6.6393 120.9820 64.0441 37.1089 176.2582 762 P 4.2839 0.0000 0.0000 65.7999 31.4171 178.6831 763 K 4.0146 7.8441 116.1993 59.6998 31.6605 178.9150 764 Y 4.0900 8.2801 118.2912 61.4623 38.2076 177.9467 765 S 4.4582 7.9638 121.0416 64.2948 62.4668 178.5958 766 N 4.7915 8.6955 122.2394 54.5330 37.8200 176.9521 767 G 4.0809 7.8391 108.8249 47.9099 0.0000 173.9563 768 N 4.8458 8.0244 114.3929 52.6571 39.1756 176.5045 769 I 4.3400 7.4491 120.6108 60.3080 39.0775 175.0585 770 K 4.1847 8.9065 130.0451 55.1712 33.3632 175.4850 771 K 4.5316 8.3482 127.8662 55.0243 32.8678 176.6609 772 L 4.1631 8.4268 126.5783 54.4156 42.2440 176.8363 773 L 4.9306 8.1893 123.0000 52.8895 44.3582 176.8410 774 F 4.1963 9.8292 122.7663 59.7152 39.2052 175.8458 775 H 5.0285 8.5666 116.6561 53.9188 31.7689 173.5050 776 Q 4.2067 8.8315 121.4098 56.2665 28.6862 175.8082 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 525 L 8.04 4.38 0.00 1.59 1.74 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 526 P 0.00 4.33 0.00 2.12 2.14 0.00 3.64 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 2.03 2.17 0.00 527 Q 8.89 4.19 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 528 L 7.30 4.12 0.00 1.89 1.75 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 529 T 7.21 4.56 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 1.20 0.00 0.00 530 P 0.00 4.37 0.00 2.18 2.07 0.00 3.76 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 1.99 1.96 0.00 531 T 7.88 4.31 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 1.21 0.00 0.00 532 L 8.25 4.02 0.00 1.72 1.92 0.90 0.36 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 0.00 533 V 7.92 3.70 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 0.81 0.00 0.00 0.91 0.00 0.00 534 S 8.22 4.16 0.00 4.12 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 0.00 535 L 7.68 3.96 0.00 1.79 1.87 0.93 0.65 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 0.00 536 L 7.63 4.03 0.00 1.90 1.74 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 537 E 8.63 4.00 0.00 2.33 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 2.59 2.43 0.00 538 V 7.74 3.76 2.30 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 0.89 0.00 0.00 0.98 0.00 0.00 539 I 7.52 4.27 1.98 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.98 0.98 0.00 0.00 540 E 8.62 4.08 0.00 2.18 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 0.00 2.60 2.46 0.00 541 P 0.00 4.43 0.00 2.05 1.99 0.00 3.58 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 1.78 2.10 0.00 542 E 8.49 4.21 0.00 2.27 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 1.87 0.00 543 V 8.16 3.82 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 0.53 0.00 0.00 0.90 0.00 0.00 544 L 8.24 4.80 0.00 1.70 1.64 0.97 0.95 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 0.00 545 Y 8.49 4.45 0.00 2.94 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 0.00 546 A 9.17 4.21 1.33 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 1.01 0.00 0.00 1.08 0.00 0.00 572 I 7.86 3.73 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 1.47 1.35 0.95 0.00 0.00 573 A 8.04 4.10 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 0.00 574 A 8.27 4.15 1.51 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 0.00 575 V 7.73 3.60 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 1.05 0.00 0.00 1.05 0.00 0.00 576 K 7.75 3.99 0.00 1.81 2.06 0.00 1.93 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.51 7.81 577 W 8.27 4.25 0.00 3.47 3.27 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 0.00 578 A 8.36 2.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 579 K 7.81 4.09 0.00 1.78 1.96 0.00 1.77 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 656 L 7.84 4.22 0.00 1.57 1.66 0.88 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 657 Q 7.52 3.26 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 658 V 7.51 3.81 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 0.88 0.00 0.00 0.92 0.00 0.00 659 S 9.36 4.84 0.00 4.23 4.11 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 0.00 660 Y 8.74 4.02 0.00 3.30 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 0.00 661 E 8.25 3.86 0.00 2.08 1.97 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 2.46 2.50 0.00 662 E 8.09 3.97 0.00 2.15 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 0.00 2.33 2.33 0.00 663 Y 7.69 4.05 0.00 2.01 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 0.00 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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 0.00 719 T 7.47 3.38 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 -0.46 0.00 0.00 720 K 7.60 3.81 0.00 1.73 1.77 0.00 1.10 0.00 0.00 0.61 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.25 1.37 7.81 721 L 7.66 3.94 0.00 1.63 1.84 0.90 0.96 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 0.00 722 L 7.78 4.03 0.00 1.78 1.73 0.57 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 723 D 8.18 4.53 0.00 2.95 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 0.00 724 S 8.17 4.27 0.00 4.21 4.34 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 0.00 725 M 7.99 4.17 0.00 2.16 2.44 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 2.62 2.99 0.00 726 H 8.20 4.35 0.00 3.28 3.42 0.00 5.62 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 727 E 8.16 3.87 0.00 2.02 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 2.34 0.00 728 V 7.48 3.45 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 0.94 0.00 0.00 1.13 0.00 0.00 729 V 7.64 3.24 1.18 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 0.35 0.00 0.00 0.06 0.00 0.00 730 E 8.29 3.84 0.00 2.21 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 2.42 0.00 731 N 7.95 4.14 0.00 2.54 2.47 0.00 0.00 7.04 6.89 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 0.00 732 L 7.56 4.15 0.00 1.56 1.55 0.78 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 733 L 7.76 3.41 0.00 1.13 0.16 0.73 0.03 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 0.00 734 N 7.58 4.46 0.00 2.91 2.88 0.00 0.00 6.63 8.25 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 0.00 735 Y 7.95 4.56 0.00 2.94 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 0.00 736 C 7.49 4.15 0.00 3.09 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 0.00 737 F 8.76 4.54 0.00 2.97 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 0.00 738 Q 8.68 4.12 0.00 2.36 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.78 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 739 T 7.51 4.06 4.63 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 1.34 0.00 0.00 740 F 8.17 4.35 0.00 2.92 3.25 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 0.00 741 L 8.05 4.35 0.00 1.77 1.75 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 742 D 7.41 4.58 0.00 2.83 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 0.00 743 K 8.70 4.21 0.00 1.87 1.83 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.43 7.81 744 T 8.29 4.13 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 1.30 0.00 0.00 745 M 7.35 4.45 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 746 S 8.41 4.33 0.00 3.63 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 0.00 747 I 8.11 4.51 1.89 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.76 1.11 0.00 0.00 748 E 8.65 4.40 0.00 2.03 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 0.00 2.20 1.89 0.00 749 F 8.71 4.88 0.00 3.16 3.08 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 0.00 0.00 0.00 0.00 750 P 0.00 4.57 0.00 2.37 2.20 0.00 3.59 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 751 E 8.82 3.95 0.00 2.05 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 0.00 2.44 2.41 0.00 752 M 8.07 3.79 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.71 0.00 753 L 7.81 3.60 0.00 1.84 1.68 0.10 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 754 A 8.06 3.67 1.52 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 0.00 755 E 8.48 3.77 0.00 2.10 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 0.00 2.25 2.33 0.00 756 I 7.16 3.56 1.46 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.66 0.48 0.00 0.00 757 I 7.91 3.67 1.01 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.65 -0.23 0.00 0.00 758 T 7.77 3.67 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 1.25 0.00 0.00 759 N 8.05 4.31 0.00 2.70 2.79 0.00 0.00 7.21 6.60 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 0.00 760 Q 7.75 4.57 0.00 2.37 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.45 0.00 0.00 0.00 0.00 0.00 2.60 2.91 0.00 761 I 6.64 3.34 1.73 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.04 0.78 0.00 0.00 762 P 0.00 4.28 0.00 2.18 2.12 0.00 3.61 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 763 K 7.84 4.01 0.00 2.04 1.92 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.56 7.81 764 Y 8.28 4.09 0.00 3.26 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 0.00 765 S 7.96 4.46 0.00 3.65 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 0.00 766 N 8.70 4.79 0.00 2.78 2.76 0.00 0.00 7.09 7.14 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 0.00 767 G 7.84 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 768 N 8.02 4.85 0.00 2.43 2.78 0.00 0.00 6.62 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 0.00 769 I 7.45 4.34 1.55 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.82 0.05 0.00 0.00 770 K 8.91 4.18 0.00 1.69 1.76 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.34 7.81 771 K 8.35 4.53 0.00 1.48 1.26 0.00 1.72 0.00 0.00 1.60 0.00 0.00 3.02 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.28 1.32 7.81 772 L 8.43 4.16 0.00 1.54 1.47 1.15 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 773 L 8.19 4.93 0.00 1.56 1.74 0.92 0.93 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 0.00 774 F 9.83 4.20 0.00 3.04 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 0.00 775 H 8.57 5.03 0.00 3.12 3.25 0.00 5.65 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 776 Q 8.83 4.21 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.65 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.