NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 530 P 4.3946 0.0000 0.0000 62.1252 33.1424 176.6560 531 T 3.9066 8.0453 117.0206 62.4515 70.3196 173.8855 532 L 3.9859 8.3498 124.8443 58.4651 42.4880 179.4155 533 V 3.7048 7.7208 118.1248 64.2057 31.4995 178.5572 534 S 4.0857 7.8550 115.9761 61.4705 62.6981 176.0286 535 L 3.9590 7.7432 121.1762 58.0011 41.2239 179.3271 536 L 3.9339 7.8409 117.5826 58.2356 41.5602 179.1767 537 E 4.0834 8.4709 119.0268 58.9444 29.3406 178.8859 538 V 3.6946 7.8633 118.2715 65.7630 31.6966 177.2021 539 I 4.2189 7.6099 109.7400 59.9194 37.9365 175.2033 540 E 4.0581 7.2610 121.2586 55.6408 29.9641 174.7147 541 P 4.4311 0.0000 0.0000 61.9085 32.1173 175.9566 542 E 3.9361 8.8189 121.9578 56.7311 30.0083 177.2183 543 V 3.7941 8.1923 122.0481 62.6294 32.2948 175.8199 544 L 4.4638 8.2894 126.7684 54.5674 42.5523 176.0683 545 Y 4.2934 8.4557 118.6335 56.9920 39.2634 175.8565 546 A 4.1767 8.5580 123.9834 52.7044 19.1882 178.6568 547 G 3.9452 8.3546 102.9173 46.4328 0.0000 173.0818 548 Y 4.0457 7.8263 119.2789 56.7294 39.9831 174.9704 549 D 3.9918 6.2566 123.3280 53.6978 42.3917 175.8761 550 S 4.1609 8.1533 122.9737 59.4568 63.1416 175.7394 551 S 4.1513 8.5039 115.8045 59.8565 63.1152 174.3132 552 V 4.1448 7.1839 121.6285 60.6486 32.1694 174.3987 553 P 4.4699 0.0000 0.0000 62.5316 33.2873 177.0221 554 D 4.5288 8.7792 120.5803 57.8494 40.8332 178.5374 555 S 4.0919 8.3481 112.7555 62.4710 62.1964 176.3971 556 T 3.8946 7.8493 117.0796 66.2475 68.3900 176.2422 557 W 4.1569 8.2701 130.3069 60.6578 30.6964 177.6317 558 R 3.8898 8.2308 118.2997 59.6059 29.4550 178.1756 559 I 3.6102 7.6575 119.0493 65.0127 37.1763 178.4708 560 M 3.9547 8.4730 119.3918 58.1919 31.7601 179.0879 561 T 3.4324 8.0417 116.3807 66.8300 68.5758 176.7778 562 T 3.8180 8.2786 117.8632 66.4584 68.4311 176.6460 563 L 3.7808 8.0098 121.1016 57.8569 41.5802 179.2990 564 N 4.2807 8.1279 116.3304 56.5814 38.5199 177.2716 565 M 3.9949 7.9706 119.9412 58.2940 31.9919 178.6131 566 L 4.0021 7.9608 120.3680 58.1653 42.3006 178.9521 567 G 3.9039 8.6066 106.2147 47.9120 0.0000 175.4084 568 G 3.7481 8.3401 108.3834 47.9641 0.0000 175.9832 569 R 4.0007 7.8945 120.6810 58.6043 29.9388 179.2057 570 Q 3.9953 8.3718 118.2094 58.9367 28.6984 178.6119 571 V 3.7633 7.8991 119.2588 66.3288 31.4441 177.7825 572 I 3.6595 7.4748 118.9433 64.6271 36.9760 178.1617 573 A 4.0490 8.2982 121.1755 55.2682 18.1470 179.5035 574 A 4.1065 8.8127 120.0210 55.3299 18.4415 180.0837 575 V 3.5997 8.1272 117.0994 66.0585 31.4002 178.2724 576 K 4.0296 7.9807 118.5374 58.9946 32.2193 178.4173 577 W 4.2546 8.6709 128.7388 60.3358 30.7260 177.4598 578 A 2.6397 8.1419 120.7525 55.0615 17.4677 179.6114 579 K 3.9668 7.6195 114.8132 59.7491 32.2226 178.9787 580 A 4.2781 7.8476 119.4793 52.8210 18.4824 177.6802 581 I 3.3944 6.7543 119.4767 60.7452 37.3176 173.8459 582 P 4.2163 0.0000 0.0000 64.7033 31.9733 174.9672 583 G 4.4204 9.4066 116.5956 46.1011 0.0000 174.8706 584 F 3.9916 8.6272 122.4134 61.2050 39.5137 177.5765 585 R 4.0377 7.8697 115.6080 59.4574 29.2274 177.2411 586 N 4.5111 7.8213 114.0293 54.1978 38.9009 175.6013 587 L 4.1474 7.7704 118.5551 54.1775 42.5732 176.9147 588 H 4.2217 8.1874 119.5458 56.2496 31.4264 175.8905 589 L 3.8179 8.2594 127.5684 58.3200 41.5065 179.7406 590 D 4.2675 7.4404 117.6285 57.5466 40.7785 178.1441 591 D 4.3481 8.1404 118.7872 57.7151 40.7395 179.1737 592 Q 3.6439 7.6828 117.6081 58.9953 28.7368 178.2953 593 M 4.0309 7.6590 119.2919 58.9912 31.8739 178.4049 594 T 3.5918 8.3215 115.9245 66.6478 68.2476 176.6312 595 L 4.1768 8.6776 121.8910 58.0015 41.7535 179.7233 596 L 4.0165 8.2439 118.8878 57.8508 41.3195 179.4180 597 Q 4.1528 7.9165 117.3127 59.1002 28.7481 177.9341 598 Y 4.7890 7.5246 114.8899 58.9187 38.5178 176.1532 599 S 4.7277 7.7989 113.2944 57.5722 65.4882 176.0780 600 W 4.4391 8.3957 119.2676 60.1717 27.3804 177.9819 601 M 3.3054 6.3626 118.1815 57.9323 31.6956 177.6059 602 S 4.0076 7.8373 112.8000 61.6643 62.3038 176.1967 603 L 3.9972 8.0856 121.3962 58.0402 41.3952 179.1930 604 M 4.0974 8.2464 118.0405 58.2851 32.1241 178.2502 605 A 3.9777 8.4254 121.4633 55.0988 18.6927 179.1327 606 F 4.2211 8.2077 118.9219 61.5441 39.4298 177.0526 607 A 4.6988 8.2912 121.5424 54.8424 18.2584 179.2257 608 L 4.0535 8.0908 118.8832 58.3017 42.0592 179.4452 609 G 3.5722 8.7572 106.0518 47.4483 0.0000 175.5725 610 W 4.0265 8.0851 130.8700 60.2181 30.7518 178.1768 611 R 3.6443 8.5174 118.3565 59.3560 29.4042 179.2560 612 S 3.9245 7.9037 114.6563 61.6505 63.0118 175.7465 613 Y 4.2453 8.1885 122.5261 61.1275 38.2124 178.4738 614 R 3.4067 7.2748 116.3523 57.4705 30.2452 177.6441 615 Q 4.2606 7.6563 118.4906 56.5733 29.7945 175.8930 616 S 4.4634 7.4749 110.5848 56.9302 64.0958 173.4659 617 S 3.6117 8.1746 112.0591 59.7904 60.7461 171.1335 618 A 4.2874 8.5408 116.5374 52.7214 15.5660 179.1100 619 N 4.8294 8.0711 116.3679 54.3770 39.4106 174.5729 620 L 4.4361 7.3162 117.1056 53.7719 43.3978 176.4172 621 L 4.1289 8.0732 122.0590 53.7573 43.0336 176.1969 622 C 4.9986 8.5053 123.5594 57.6271 26.5437 173.6758 623 F 4.1109 8.3754 119.6424 59.7667 39.4220 175.4857 624 A 4.8687 7.6996 120.5026 49.3223 22.4339 174.7375 625 P 4.3926 0.0000 0.0000 65.8463 31.2632 177.7159 626 D 4.6853 7.9856 113.9153 53.5997 39.8362 176.5399 627 L 4.6105 7.7195 121.9803 53.0524 42.0303 172.7256 628 I 4.5134 7.9203 120.7233 59.0610 38.5596 175.4875 629 I 4.2397 8.3623 128.2044 59.8834 37.5176 176.0863 630 N 4.8570 8.3931 124.5424 51.8552 40.0989 175.0862 631 E 3.9760 8.7176 121.8520 60.1919 29.4239 179.3366 632 Q 4.0942 8.1669 121.6909 60.8385 28.5979 180.8922 633 R 4.3172 8.3849 122.9123 61.6953 29.4177 180.3714 634 M 4.2977 8.2739 120.2893 58.6945 31.7280 178.9851 635 T 4.1619 7.6767 108.4393 63.2766 69.7266 175.2116 636 L 4.1952 7.4929 122.1513 53.9718 41.0018 176.1894 637 P 4.3596 0.0000 0.0000 65.7688 31.5285 178.6320 638 D 4.7432 8.2872 116.4223 55.8252 39.5935 176.7647 639 M 4.6965 7.4698 115.1467 54.2968 34.0383 177.2166 640 Y 4.3286 8.0481 121.4497 60.2866 38.5062 177.1390 641 D 4.1230 8.2377 119.2212 57.6447 41.0690 179.0502 642 Q 3.9029 7.6135 117.4510 59.2544 28.8016 178.5375 643 C 4.2338 7.7803 117.1410 62.2101 28.0229 175.7933 644 K 3.6176 7.5472 121.5223 60.1661 31.4148 178.4818 645 H 4.2215 7.4667 116.3828 58.8651 28.4275 177.8858 646 M 4.1505 8.0542 120.5825 58.5484 31.8051 178.7351 647 L 3.9271 8.4801 119.3471 57.7644 41.7003 178.8946 648 Y 4.1367 8.0059 119.5912 60.7683 38.7500 178.2019 649 V 3.7002 7.6303 117.6172 66.3794 31.5397 177.7927 650 S 4.0864 7.6892 112.5343 61.5356 62.2617 175.7805 651 S 3.9515 8.7539 116.8687 61.5310 61.9053 175.9427 652 E 3.7435 7.9715 121.7222 58.6447 29.3357 178.6118 653 L 3.7988 7.4952 118.7005 57.8703 41.5930 178.5121 654 H 2.9810 7.2903 118.0012 59.2688 29.4542 176.9719 655 R 3.8086 7.7463 118.8447 59.2077 30.0154 177.6145 656 L 4.2195 7.8429 115.5968 53.9502 42.5602 176.4609 657 Q 3.3957 7.8521 117.2941 55.3878 26.9564 174.5090 658 V 4.0313 7.6529 115.9009 63.1066 32.4901 175.3871 659 S 5.1849 8.5281 119.6201 56.5991 66.6507 174.8639 660 Y 4.2987 8.7272 122.1190 60.9659 38.7002 177.7289 661 E 3.8702 8.3383 118.9044 59.4928 29.5002 179.0848 662 E 3.9571 8.0151 118.1096 59.5458 29.5928 178.5415 663 Y 4.0411 8.8335 120.5044 60.9871 38.6038 178.5181 664 L 3.5612 8.0756 119.7581 57.4947 41.5336 179.5045 665 C 4.2319 7.8118 116.4339 63.1000 28.1697 175.7785 666 M 3.8848 7.9585 120.2670 58.4090 31.3466 178.8582 667 K 3.7115 7.8924 119.5464 59.5559 32.0395 179.0133 668 T 4.0460 7.2524 113.9892 66.1821 68.6039 176.5839 669 L 4.1065 7.7350 121.2363 57.4632 41.5553 179.2947 670 L 3.8999 7.7965 119.2028 57.6479 41.3349 179.1485 671 L 4.2206 7.6355 118.7042 56.7520 41.9899 177.1568 672 L 5.1436 7.6307 118.5419 54.7368 42.5950 177.8092 673 S 4.4271 8.3740 116.5587 60.1413 63.6254 174.1494 674 S 5.0418 7.9785 115.4146 56.6440 66.3473 173.1647 675 V 4.5906 8.0165 116.3575 58.5233 36.3027 173.1405 676 P 4.4916 0.0000 0.0000 62.4773 31.5651 177.1431 677 K 3.7659 9.4481 128.3400 59.2683 32.6872 177.1337 678 D 4.5877 8.0654 117.9040 54.3635 40.9282 173.1850 679 G 3.8570 8.2193 114.5508 44.6200 0.0000 174.7113 680 L 4.2548 7.9537 121.5988 53.7720 42.5627 177.8709 681 K 4.0844 9.0159 120.9095 59.1896 32.3986 178.5998 682 S 4.6601 8.0896 116.0440 56.9456 62.1548 174.3456 683 Q 4.0795 8.1927 127.9746 59.5235 29.1816 177.3022 684 A 4.0618 7.9446 121.2471 54.6328 18.3500 179.4049 685 L 3.8389 7.8656 118.7444 58.3750 42.3097 178.4734 686 F 4.0555 8.0895 120.1552 61.5700 39.1785 176.8709 687 D 4.2654 8.7004 118.3438 57.3399 40.8154 178.4205 688 A 3.9779 7.8919 121.1744 55.2991 18.3010 179.7742 689 I 3.5910 8.0003 118.4176 64.4430 37.2002 178.6078 690 R 3.8021 7.8969 119.8001 59.7771 29.8263 178.0187 691 M 4.1105 8.3181 118.2557 59.1629 32.0236 178.3947 692 T 3.8602 7.6663 115.4632 66.6747 68.5528 176.4784 693 Y 4.1750 7.8522 118.2304 60.6878 37.8944 177.9948 694 I 3.9062 8.3727 121.4472 64.4665 37.1891 178.4418 695 K 3.9405 7.9006 118.8462 59.5941 31.8858 178.9711 696 E 3.9166 8.2076 119.4605 59.2236 29.4127 178.5489 697 L 4.1418 8.5540 120.9501 58.0305 42.1421 179.1599 698 G 3.6920 8.2181 105.8175 47.8859 0.0000 175.8766 699 K 4.0704 8.4427 121.0220 58.8910 31.8064 179.4292 700 A 4.0055 8.1719 120.8445 55.1356 18.5704 179.2474 701 I 4.2608 7.9863 119.9477 64.1843 37.2365 178.8835 702 V 3.6591 7.7019 118.2281 65.7709 31.0629 177.8514 703 K 4.0903 7.7920 118.5014 59.1203 32.0394 178.5087 704 R 4.0693 7.7223 117.0114 56.2530 30.2747 177.1368 705 E 3.8742 7.9517 117.2427 55.3976 28.8643 172.2125 706 G 4.0225 8.7380 104.5592 43.5982 0.0000 173.9893 707 N 4.5024 8.8599 117.5154 53.2327 40.2265 176.6734 708 S 4.3380 8.5538 117.0099 60.5229 63.2259 176.7056 709 S 4.0906 7.9032 118.3832 61.6453 63.2687 176.1264 710 Q 4.0645 8.0573 121.6021 58.6598 28.3683 178.5758 711 N 4.5205 8.2223 117.3115 56.2257 38.6211 177.7615 712 S 4.2520 7.7676 116.4941 61.3675 62.8105 176.4232 713 Q 3.9536 8.5663 122.8638 59.2681 28.7981 178.3742 714 R 4.2169 8.4470 121.5329 58.6934 30.0405 178.1043 715 F 4.0127 8.7031 120.9464 61.4653 39.3950 176.0412 716 Y 4.1553 8.0295 120.3389 60.1865 38.3651 178.2568 717 Q 4.0692 8.4438 118.5598 59.2658 28.9110 179.2107 718 L 3.9649 8.0121 120.1311 57.8177 41.3819 179.6633 719 T 3.2128 7.6885 110.2254 64.1347 68.3803 176.5951 720 K 3.8322 8.2684 122.8963 59.1291 31.9642 178.1444 721 L 3.9868 7.5570 120.7594 57.5890 42.3992 178.3138 722 L 3.8882 8.1985 118.9354 58.3260 41.7404 179.6344 723 D 4.4697 8.1504 118.6118 57.1832 40.4185 178.4191 724 S 4.5448 8.2410 113.3450 60.2511 63.1407 176.0061 725 M 4.1920 7.8356 122.8086 58.4345 31.6478 178.0311 726 H 4.2024 7.9213 116.6567 58.7867 28.8702 177.4900 727 E 4.0816 8.0561 118.8826 59.3058 29.7382 179.3554 728 V 3.4864 7.5509 113.0437 63.9132 31.4529 178.6235 729 V 3.3748 8.1145 118.4243 66.0221 31.3716 177.4574 730 E 3.7871 8.6571 119.2630 59.5436 29.3523 178.8487 731 N 4.2479 8.1486 116.1496 56.3824 38.2757 177.5420 732 L 4.0190 8.1946 120.6927 57.7054 41.5835 179.5986 733 L 3.7066 8.5980 119.6055 57.1795 41.5148 179.0902 734 N 4.4443 8.2391 116.9266 56.6730 38.3615 176.3916 735 Y 4.1630 7.7967 119.3278 61.4280 39.0254 178.0633 736 C 4.1771 7.5947 117.8603 61.7194 27.7194 175.6663 737 F 4.6702 8.0507 121.3816 59.7435 38.3038 176.6263 738 Q 4.4619 7.6362 119.9892 57.5816 29.4229 181.9843 739 T 4.4535 7.9847 119.5694 65.1957 69.2040 176.4345 740 F 4.7168 7.5597 116.9107 57.0973 40.4355 175.7697 741 L 4.0957 7.7442 123.1957 54.4884 42.2250 175.1262 *751 E 4.1133 8.2670 113.7227 56.0120 29.7369 176.8387 752 M 4.4045 7.9113 125.4362 56.9824 34.3108 179.4625 753 L 4.1281 7.6429 121.9899 58.9272 41.3710 181.1633 754 A 4.5602 8.2908 121.6496 56.4089 17.8420 179.8983 755 E 3.9464 7.8594 115.3080 61.6143 29.7191 181.6223 756 I 3.9846 7.5965 120.5811 63.9480 37.0722 178.5534 757 I 3.9430 7.7061 121.2732 64.3258 36.6357 178.5027 758 T 3.9802 7.6652 112.4367 65.2347 68.8032 176.3941 759 N 4.6434 7.6799 118.0073 55.0232 37.7023 177.9807 760 Q 4.9498 7.5691 120.9407 58.6036 30.3107 176.4781 761 I 3.6661 7.2268 124.4440 59.6022 34.7960 177.7744 *766 N 4.6542 8.5762 123.6313 50.9440 38.5706 173.1406 767 G 3.7436 7.4697 108.7534 48.7528 0.0000 175.0824 768 N 4.3886 8.1613 120.5533 56.2256 40.8526 175.1042 769 I 3.8519 7.5232 118.3103 59.8571 35.7069 179.0595 770 K 4.0816 8.8516 130.6459 55.1714 33.7173 176.2079 771 K 4.3227 8.1791 124.6626 54.1058 33.7405 175.7757 772 L 3.9789 8.8649 126.6620 54.9738 41.9110 177.0838 773 L 4.8189 8.2420 124.0603 52.9680 43.8552 176.8908 774 F 4.1174 9.6071 122.6808 60.1593 39.1189 175.7021 775 H 5.1133 8.7934 115.7398 53.8331 31.6674 173.9996 776 Q 4.1402 8.4279 118.1114 56.5490 28.6359 174.9899 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 530 P 0.00 4.39 0.00 2.06 2.05 0.00 3.65 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 1.92 2.11 0.00 531 T 8.05 3.91 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 8.35 3.99 0.00 1.75 1.67 0.92 0.84 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 0.00 533 V 7.72 3.70 2.08 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 0.76 0.00 0.00 0.93 0.00 0.00 534 S 7.86 4.09 0.00 3.96 3.95 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 0.00 0.00 0.00 535 L 7.74 3.96 0.00 1.97 1.72 0.92 0.40 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 0.00 536 L 7.84 3.93 0.00 1.78 1.76 0.92 0.97 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 0.00 537 E 8.47 4.08 0.00 2.18 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 2.30 2.31 0.00 538 V 7.86 3.69 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 0.91 0.00 0.00 1.01 0.00 0.00 539 I 7.61 4.22 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 1.70 0.73 0.91 0.00 0.00 540 E 7.26 4.06 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 541 P 0.00 4.43 0.00 2.09 1.98 0.00 3.77 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 2.03 2.11 0.00 542 E 8.82 3.94 0.00 1.98 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 2.35 2.30 0.00 543 V 8.19 3.79 2.08 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 0.72 0.00 0.00 0.92 0.00 0.00 544 L 8.29 4.46 0.00 1.68 1.64 1.01 0.90 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 0.00 545 Y 8.46 4.29 0.00 2.93 2.95 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 0.00 0.00 0.00 546 A 8.56 4.18 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 0.00 547 G 8.35 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 548 Y 7.83 4.05 0.00 2.76 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 0.00 549 D 6.26 3.99 0.00 2.52 2.19 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 0.00 550 S 8.15 4.16 0.00 3.81 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 551 S 8.50 4.15 0.00 3.91 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 552 V 7.18 4.14 2.08 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 0.99 0.00 0.00 0.96 0.00 0.00 553 P 0.00 4.47 0.00 2.25 1.99 0.00 3.72 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 554 D 8.78 4.53 0.00 2.75 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 0.00 555 S 8.35 4.09 0.00 3.92 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 0.00 556 T 7.85 3.89 4.35 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 1.31 0.00 0.00 557 W 8.27 4.16 0.00 3.49 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 0.00 558 R 8.23 3.89 0.00 2.06 2.12 0.00 3.23 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 559 I 7.66 3.61 1.85 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 1.68 0.83 0.83 0.00 0.00 560 M 8.47 3.95 0.00 1.86 2.05 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.76 0.00 561 T 8.04 3.43 3.93 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 1.02 0.00 0.00 562 T 8.28 3.82 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 1.18 0.00 0.00 563 L 8.01 3.78 0.00 1.72 1.53 0.51 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 564 N 8.13 4.28 0.00 2.89 2.80 0.00 0.00 7.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 565 M 7.97 3.99 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.53 0.00 566 L 7.96 4.00 0.00 1.82 1.87 0.96 1.13 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 0.00 567 G 8.61 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 0.00 568 G 8.34 3.75 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 0.00 0.00 0.00 569 R 7.89 4.00 0.00 2.03 2.00 0.00 3.15 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 570 Q 8.37 4.00 0.00 2.32 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.73 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 571 V 7.90 3.76 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.67 0.00 0.00 572 I 7.47 3.66 2.05 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 590 D 7.44 4.27 0.00 2.70 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 0.00 591 D 8.14 4.35 0.00 2.72 2.62 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 0.00 0.00 0.00 592 Q 7.68 3.64 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.78 0.00 0.00 0.00 0.00 0.00 1.16 2.06 0.00 593 M 7.66 4.03 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 594 T 8.32 3.59 4.30 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 1.07 0.00 0.00 595 L 8.68 4.18 0.00 1.98 2.04 0.86 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 596 L 8.24 4.02 0.00 2.09 1.82 1.03 0.75 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 0.00 597 Q 7.92 4.15 0.00 1.80 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 598 Y 7.52 4.79 0.00 3.15 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 599 S 7.80 4.73 0.00 4.00 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 0.00 600 W 8.40 4.44 0.00 3.73 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 601 M 6.36 3.31 0.00 1.42 0.57 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.22 0.00 602 S 7.84 4.01 0.00 3.83 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 0.00 603 L 8.09 4.00 0.00 2.01 1.67 1.18 0.80 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 0.00 604 M 8.25 4.10 0.00 2.19 2.42 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.70 0.00 605 A 8.43 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 606 F 8.21 4.22 0.00 3.27 3.24 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 0.00 607 A 8.29 4.70 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 0.00 608 L 8.09 4.05 0.00 1.82 2.02 0.41 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 609 G 8.76 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 610 W 8.09 4.03 0.00 3.07 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 0.00 611 R 8.52 3.64 0.00 1.77 1.88 0.00 3.17 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 612 S 7.90 3.92 0.00 4.00 3.93 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 0.00 613 Y 8.19 4.25 0.00 2.76 2.88 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 0.00 614 R 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 631 E 8.72 3.98 0.00 2.05 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 2.39 2.38 0.00 632 Q 8.17 4.09 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.83 0.00 0.00 0.00 0.00 0.00 2.28 1.99 0.00 633 R 8.38 4.32 0.00 1.82 1.96 0.00 3.26 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 634 M 8.27 4.30 0.00 2.09 2.41 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.62 0.00 635 T 7.68 4.16 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 636 L 7.49 4.20 0.00 2.03 1.76 1.01 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 637 P 0.00 4.36 0.00 2.21 2.13 0.00 3.62 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 638 D 8.29 4.74 0.00 2.85 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 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1.06 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 0.00 722 L 8.20 3.89 0.00 1.76 1.71 0.70 0.73 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 0.00 723 D 8.15 4.47 0.00 2.92 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 4.54 0.00 4.05 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 0.00 725 M 7.84 4.19 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.83 0.00 726 H 7.92 4.20 0.00 3.26 3.29 0.00 5.61 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 727 E 8.06 4.08 0.00 2.11 2.15 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 2.39 2.29 0.00 728 V 7.55 3.49 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 0.70 0.00 0.00 1.00 0.00 0.00 729 V 8.11 3.37 2.24 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 0.87 0.00 0.00 0.86 0.00 0.00 730 E 8.66 3.79 0.00 2.15 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 2.34 2.41 0.00 731 N 8.15 4.25 0.00 2.65 2.44 0.00 0.00 7.01 6.22 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 0.00 732 L 8.19 4.02 0.00 1.60 1.65 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 733 L 8.60 3.71 0.00 1.68 1.27 0.51 0.47 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 0.00 734 N 8.24 4.44 0.00 3.06 2.94 0.00 0.00 6.52 8.31 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 0.00 735 Y 7.80 4.16 0.00 2.98 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 736 C 7.59 4.18 0.00 2.85 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 0.00 737 F 8.05 4.67 0.00 3.22 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 738 Q 7.64 4.46 0.00 2.17 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.87 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 739 T 7.98 4.45 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 740 F 7.56 4.72 0.00 3.12 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 0.00 741 L 7.74 4.10 0.00 1.63 1.63 0.95 0.91 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 *751 E 8.27 4.11 0.00 2.05 1.83 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 2.13 1.91 0.00 752 M 7.91 4.40 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 753 L 7.64 4.13 0.00 1.65 1.68 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 754 A 8.29 4.56 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 0.00 755 E 7.86 3.95 0.00 2.04 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 2.25 2.23 0.00 756 I 7.60 3.98 1.67 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 1.18 0.64 0.82 0.00 0.00 757 I 7.71 3.94 1.42 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.39 -0.17 0.00 0.00 758 T 7.67 3.98 4.29 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 1.42 0.00 0.00 759 N 7.68 4.64 0.00 2.89 2.75 0.00 0.00 6.91 7.34 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 0.00 760 Q 7.57 4.95 0.00 2.48 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.93 0.00 0.00 0.00 0.00 0.00 2.70 2.66 0.00 761 I 7.23 3.67 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 1.16 0.82 0.91 0.00 0.00 *766 N 8.58 4.65 0.00 2.76 2.76 0.00 0.00 6.90 7.51 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 0.00 767 G 7.47 3.74 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 0.00 0.00 0.00 768 N 8.16 4.39 0.00 2.83 2.86 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 0.00 769 I 7.52 3.85 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 1.23 0.80 0.91 0.00 0.00 770 K 8.85 4.08 0.00 1.72 1.58 0.00 1.49 0.00 0.00 1.59 0.00 0.00 2.75 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.34 7.81 771 K 8.18 4.32 0.00 1.40 1.12 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.11 1.24 7.81 772 L 8.86 3.98 0.00 1.58 1.50 1.13 0.83 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 0.00 773 L 8.24 4.82 0.00 1.57 1.72 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 774 F 9.61 4.12 0.00 3.21 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 0.00 775 H 8.79 5.11 0.00 2.96 3.16 0.00 5.79 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 776 Q 8.43 4.14 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.65 0.00 0.00 0.00 0.00 0.00 2.23 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.