NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 552 I 4.0549 8.0244 120.7874 60.2862 39.9916 175.1571 553 S 4.6292 7.3582 113.2087 55.9418 64.0224 172.5536 554 S 4.2818 8.3841 121.1319 61.0574 63.8614 174.5790 555 E 4.1978 7.6096 117.3302 55.8138 29.9353 176.6511 556 T 3.9229 8.4151 116.9921 63.9522 68.7591 174.2449 557 G 4.1413 7.9779 112.2835 46.1582 0.0000 171.6250 558 E 5.0351 8.7001 117.9255 54.8059 31.9967 175.6357 559 M 4.8001 9.5545 121.5332 55.1334 33.9095 175.5709 560 G 4.3688 8.9685 107.8074 44.7334 0.0000 171.4690 561 I 4.5316 8.4040 122.9211 59.9543 38.8472 174.5232 562 L 5.1862 8.5978 129.7819 53.0307 44.7457 174.8880 563 W 5.6402 9.8257 126.1384 55.0182 32.4786 173.9004 564 E 5.3717 9.9100 125.8215 54.4838 32.0287 174.1632 565 F 4.3799 8.7479 128.9989 56.8381 40.9637 174.3777 566 D 4.3801 7.7339 126.1982 51.6496 41.9751 174.5492 567 P 3.9223 0.0000 0.0000 65.2600 31.6403 178.2567 568 I 3.7554 7.4797 117.8470 62.9114 37.9270 176.2588 569 I 4.0981 7.4451 110.8288 59.5434 38.3977 174.3988 570 N 4.0074 7.5307 118.7410 54.5976 37.7971 173.5105 571 K 5.0213 6.8435 113.8460 54.3603 37.4325 176.6539 572 W 5.1560 9.8138 123.3957 56.6391 30.9577 175.3507 573 I 4.8474 9.6911 125.1584 59.6837 39.1595 174.3860 574 R 4.3835 8.6014 127.8278 54.7628 31.3615 174.9649 575 L 5.0013 8.8289 125.7273 53.1885 46.9030 174.9480 576 S 5.3305 8.7990 113.6861 57.2842 66.6207 172.7835 577 M 5.1468 8.8296 117.0457 54.1815 35.2377 173.1114 578 K 5.2043 8.8655 120.2889 54.5762 35.2858 174.6688 579 L 5.3420 9.0780 125.8603 54.0498 44.8902 175.0331 580 K 4.8605 9.0720 121.1198 54.7582 34.6662 174.9171 581 V 4.7116 8.2205 127.2504 59.6721 33.3517 175.7578 582 E 4.2576 8.9200 124.0370 56.4330 29.4765 177.7106 583 R 4.1095 8.8860 119.5799 58.1967 29.9934 177.0117 584 K 4.7115 7.7765 116.7595 53.2717 34.3979 174.1891 585 P 3.6960 0.0000 0.0000 62.5359 31.7012 176.2437 586 F 4.5722 8.0918 114.3392 57.2828 38.8912 175.3663 587 A 4.3443 6.3544 122.8632 51.2203 21.6139 174.6229 588 E 4.8728 8.1969 116.5891 54.5063 33.1249 176.0340 589 G 4.2010 8.1293 110.3676 44.5642 0.0000 172.9516 590 A 4.0861 8.7888 122.1131 55.0765 18.6940 178.8849 591 L 4.6245 7.7946 113.4359 54.7891 43.6618 176.3136 592 R 5.0199 7.4888 116.1872 54.1439 34.6712 173.9659 593 E 4.8944 9.1149 119.8209 54.5306 32.9832 174.9233 594 A 5.0931 8.2480 125.1349 50.4528 21.7337 175.3428 595 Y 4.9571 9.1077 119.1222 56.0891 41.8446 175.0110 596 H 4.7974 9.2377 121.2477 56.6335 30.1335 174.5483 597 T 4.8951 8.6569 118.1124 61.7570 73.2517 172.8582 598 V 4.8214 8.3357 123.7822 61.0498 34.6737 174.6184 599 S 4.7856 9.5020 122.9806 57.8719 63.3736 174.1314 600 L 4.8165 9.3199 126.8795 54.7885 42.9679 177.0059 601 G 3.8899 8.5632 105.5338 44.8791 0.0000 173.2663 602 V 4.7244 7.9977 118.8511 61.0909 34.0718 174.9742 603 G 4.3020 8.9104 114.3386 45.3390 0.0000 171.5723 604 T 4.8230 8.5189 110.3157 60.6245 70.6437 174.3745 605 D 4.8773 8.4324 119.7668 53.1759 39.8002 177.9564 606 E 3.8689 7.8110 119.8319 59.9035 29.3480 177.9361 607 N 4.3105 7.7909 113.9107 54.3248 39.2224 174.6317 608 Y 4.8536 7.4571 115.9000 54.8979 37.9939 173.5113 609 P 4.3235 0.0000 0.0000 62.6546 32.3171 178.0867 610 L 4.1499 8.1005 120.1551 54.4435 42.4327 175.5371 *616 L 4.0623 8.1331 119.8674 55.3850 42.6969 176.1644 617 F 4.4318 8.3662 126.9907 55.1635 42.1888 172.4550 618 P 2.9700 0.0000 0.0000 60.9571 31.7081 174.3251 619 P 4.4521 0.0000 0.0000 62.3707 32.3104 176.9831 620 I 3.6575 8.4817 120.0234 64.2897 37.8421 177.5353 621 E 4.1901 8.1482 115.9856 58.3120 29.8853 176.9611 622 M 4.5343 8.3686 119.3665 55.0998 32.5420 175.0185 623 I 5.0905 7.3965 120.2283 59.1364 39.4237 175.5253 624 S 4.3117 9.1523 121.3256 57.5336 62.6743 172.5780 625 P 4.4677 0.0000 0.0000 64.3893 31.6225 176.2365 626 I 4.6199 7.4639 119.5779 59.6703 40.1905 175.2338 627 S 4.7500 8.3996 116.3634 57.8135 64.0117 175.9056 628 K 3.8680 8.3749 122.3529 59.0192 31.9838 176.8719 629 N 5.0530 6.9197 113.3705 51.2977 40.8038 173.4921 630 N 4.6133 8.0157 116.9061 51.1692 39.5489 175.0743 631 E 4.1973 9.7194 119.8214 59.2729 29.4316 179.3157 632 A 3.7841 8.7215 121.4318 55.5555 18.1456 179.5728 633 M 4.0803 8.5227 114.5521 58.1139 31.1489 178.2408 634 T 4.2539 7.6688 109.1389 64.1681 70.0319 176.7110 635 Q 4.2970 8.3319 119.5721 56.9959 28.7851 176.7152 636 L 4.5324 7.7386 119.8964 53.7361 42.7952 176.8583 637 K 4.1063 7.8788 117.6887 56.1601 33.1937 175.4215 638 N 4.5809 8.4959 118.0382 55.8035 39.0319 174.3908 639 G 4.0895 9.0873 113.7778 45.5478 0.0000 174.1480 640 T 4.0606 7.9306 117.2340 63.8102 69.4755 173.6328 641 K 4.9636 8.7390 126.1427 55.7158 33.5673 176.0226 642 F 5.1352 8.9831 119.7317 55.8283 41.8853 172.6494 643 V 5.0580 9.3248 117.8584 61.4625 34.5178 174.7306 644 L 5.3388 9.2476 129.8915 53.2949 44.9015 174.8513 645 K 5.2652 9.5141 125.4484 54.6471 35.0703 175.0361 646 L 5.1648 8.7981 124.4696 52.7089 45.2811 175.6996 647 Y 4.2776 8.8966 120.8046 58.1710 38.0175 175.9666 648 K 3.9556 9.0733 125.2411 59.6766 32.3193 177.4805 649 K 4.7035 9.3878 126.5401 55.7248 32.8650 176.2393 650 E 3.5258 7.5691 118.3107 58.4188 28.9658 174.9861 *654 Q 4.1635 9.0800 125.4023 56.3752 30.5139 174.3902 655 A 4.0531 6.9414 119.5365 50.7364 19.8335 176.2543 656 S 4.7810 7.8472 115.2647 55.7652 66.6530 174.9211 657 R 4.0500 8.7492 120.3978 59.9411 29.9362 178.1291 658 E 3.4513 8.0854 116.6442 59.4636 29.2644 179.3385 659 L 4.0046 7.7088 118.4148 57.7485 41.6544 179.2059 660 Y 3.9919 7.8196 116.9870 61.0772 37.7250 178.6332 661 F 4.0807 8.2139 118.1601 60.5359 39.0417 177.2575 662 E 4.0194 8.7930 118.7318 59.6835 29.2930 179.1085 663 D 4.3595 8.2797 117.8773 57.2780 41.2972 178.5035 664 V 3.6866 7.9415 118.6604 65.9068 31.5439 177.8775 665 K 3.6636 8.5956 119.7428 59.5343 31.8753 178.3027 666 M 4.2011 8.3470 118.6374 58.9000 32.1356 178.0350 667 Q 3.8687 8.2096 119.6079 59.3919 29.1932 178.0169 668 M 4.0629 8.2784 119.8899 58.3542 31.9714 178.9118 669 V 3.7350 8.1389 118.6448 66.3066 31.6849 177.9427 670 C 4.2219 8.2733 116.6305 62.6406 27.9191 175.9886 671 R 4.1791 8.2607 120.7786 59.6914 29.6913 178.3024 672 D 4.4240 8.2752 118.6741 57.1964 40.6848 178.8295 673 W 4.3865 8.4985 119.7100 59.6185 29.0192 178.5674 674 G 3.9272 9.0708 106.2228 48.2219 0.0000 175.3704 675 N 4.4085 8.2552 118.8112 55.8637 38.3451 177.4226 676 K 4.0208 8.0911 119.9351 59.4137 32.6748 178.3215 677 F 3.5349 8.9244 121.2566 61.3193 39.3139 176.9440 678 N 4.3611 8.6656 116.1796 56.2674 38.0919 177.0765 679 Q 4.1093 7.8638 117.7657 57.6471 28.8860 177.5940 680 K 4.1479 7.6285 117.9807 55.2936 33.5976 176.3534 681 K 3.7495 7.7821 118.5817 56.8025 29.5859 172.9475 682 P 4.4369 0.0000 0.0000 61.2443 32.7868 175.2286 683 P 4.2621 0.0000 0.0000 64.9975 30.9861 176.4470 684 K 4.4697 7.7533 117.9585 53.7261 33.6134 176.0766 685 K 4.3735 8.5700 123.7885 56.5091 32.6156 176.0868 686 I 4.6410 8.9867 114.4074 59.5373 41.2552 174.1296 687 E 4.6024 7.8744 120.6831 55.2765 33.3334 173.6722 688 F 5.1734 8.7352 125.2004 55.7907 40.7149 175.8556 689 L 4.2717 8.7425 123.2748 54.7112 42.1572 177.2841 690 M 3.8628 8.5345 121.1702 56.1006 32.4311 175.6879 691 S 4.8850 7.3921 113.9053 56.8546 66.0870 172.8913 692 W 5.5757 9.3151 122.8241 55.2452 34.0907 174.1445 693 V 4.5512 8.8639 122.2573 62.0592 32.9637 174.8612 694 V 5.0496 8.7056 126.9557 61.2170 34.7803 173.8790 695 E 4.5590 9.4664 128.0302 55.3137 30.9980 175.8747 696 L 4.9496 8.8992 127.9478 53.5065 39.9272 177.8219 697 I 3.8151 7.9269 115.6449 63.0231 38.1817 178.2132 698 D 4.4847 7.9129 119.6622 55.9379 41.1322 176.5473 699 R 4.3613 7.4594 118.2514 54.7926 31.1102 176.5880 700 S 4.3706 8.4151 117.9164 57.9106 65.0027 171.2889 701 P 4.8114 0.0000 0.0000 62.8226 30.0630 178.2449 *704 N 4.5225 9.2988 127.1957 51.7364 39.2859 175.9286 705 G 3.9120 7.8404 107.3571 45.6258 0.0000 171.2643 706 Q 4.6759 7.8910 117.3097 53.9290 30.7954 173.5863 707 P 4.4901 0.0000 0.0000 63.6138 32.1000 175.6635 708 I 3.9598 8.1547 120.4970 61.3728 37.9491 175.2699 709 L 5.0766 8.0635 126.3312 53.3317 44.9335 174.7500 710 C 5.0158 8.1782 114.1614 57.8632 33.5953 172.5851 711 S 5.5781 8.9135 113.2318 56.5816 66.0193 173.0650 712 I 5.5537 8.9035 114.2313 59.8057 41.2865 173.6861 713 E 5.4684 9.3730 119.6776 55.0008 33.1457 172.8358 714 P 4.9996 0.0000 0.0000 62.3740 32.4750 176.0020 715 L 4.3364 8.5688 123.7664 54.6993 42.6973 176.1828 716 L 4.4377 8.6267 126.2518 53.7867 42.7106 176.0156 717 V 4.1738 9.2770 123.2888 61.1835 32.7960 174.7516 718 G 3.8055 8.4862 113.4823 43.5308 0.0000 171.3533 719 E 4.2710 8.4393 122.1775 55.5769 30.0454 176.6390 720 F 4.5556 8.9828 130.5518 57.9632 40.2728 174.5301 721 K 4.7628 8.9752 125.6115 54.4145 35.8573 175.0195 722 K 4.4903 8.7905 125.6371 55.8387 32.7526 175.6054 723 N 4.8840 9.5408 125.3356 54.6621 40.6202 174.6588 724 N 5.7598 8.0902 113.8398 50.7240 41.5125 174.5887 725 S 5.3323 8.7270 114.2231 56.5134 65.4080 173.5647 726 N 4.8813 8.6267 116.8939 53.2225 37.4144 175.0144 727 Y 4.8038 8.0879 119.3134 56.8964 38.8751 175.7000 728 G 3.7818 8.4141 108.0276 45.0181 0.0000 173.7170 729 A 3.9552 7.7707 123.3295 52.0253 18.9381 176.4600 730 V 4.4970 8.2385 122.0317 61.3939 32.4730 175.1188 731 L 4.5265 8.7819 127.9925 55.0630 42.5698 176.3521 732 T 4.7415 7.3777 106.8932 60.0363 71.8487 173.2968 733 N 4.6447 8.5612 117.2290 53.7241 39.0680 176.2976 734 R 4.1218 7.7028 117.9557 56.4641 30.9650 177.2907 735 S 4.4632 8.6799 117.4939 61.4042 63.2699 177.0238 736 T 4.0328 7.9279 117.9863 66.4149 68.3915 174.6798 737 P 4.2467 0.0000 0.0000 65.6008 31.3477 178.7635 738 Q 4.2093 8.1503 116.3492 58.9184 28.8066 178.3134 739 A 4.2551 8.6029 122.2911 54.9767 18.3850 179.4847 740 F 3.9545 8.7048 119.7507 61.4754 39.2895 177.4590 741 S 3.8207 7.8961 115.7894 61.0906 62.5779 176.1560 742 H 4.1421 8.3788 120.7675 59.2705 29.5335 176.8030 743 F 4.1525 8.8547 122.9747 61.7649 39.3413 177.2543 744 T 2.8621 7.7107 109.2391 64.3675 68.2348 175.9904 745 Y 4.4362 7.3205 123.6396 59.8778 38.8654 177.4063 746 E 3.6696 8.1777 120.2081 59.3424 29.6588 178.7665 747 L 3.9486 7.6111 117.4026 56.9982 42.0835 177.9590 748 S 4.6689 7.8857 112.2666 57.5829 63.1763 173.8814 749 N 3.9970 8.5538 116.8933 54.7316 36.3250 174.8182 750 K 2.9804 7.6715 112.3992 57.1168 30.2057 177.6308 751 Q 4.1430 7.6824 119.6835 58.4309 29.2389 175.6370 752 M 4.6873 7.4433 113.1567 54.6620 35.0867 173.6503 753 I 4.4198 8.0030 119.2390 59.2980 41.7180 173.6846 754 V 4.3455 8.1133 129.4229 61.9894 32.8829 174.8043 755 V 4.8388 8.3070 123.1512 60.7545 35.8244 174.7211 756 D 5.1303 8.5706 114.9042 55.1968 38.4747 174.1370 757 I 4.0054 8.5065 120.9402 60.9738 37.4159 175.7772 758 Q 4.8637 7.6407 122.3309 54.0736 32.0133 174.8417 759 G 3.2649 6.6079 106.2200 45.9675 0.0000 171.6617 760 V 4.5717 7.5026 123.0010 61.8639 33.9945 175.4762 761 D 4.3249 8.2254 127.8854 56.3014 39.3196 174.3912 762 D 3.9831 8.1988 122.8785 54.8289 42.0355 174.4386 763 L 4.5041 7.6424 121.9593 53.6692 43.7171 174.7273 764 Y 5.2814 8.4888 123.9462 56.9731 41.6029 175.4098 765 T 5.0297 8.9862 116.7885 60.7306 68.7561 170.7314 *767 P 4.7459 0.0000 0.0000 62.3538 32.8895 175.4951 768 Q 4.5263 8.8086 119.7115 54.4888 32.4468 173.3765 769 I 4.5243 8.3221 126.3078 59.9793 39.2986 174.5238 770 H 5.3495 8.5701 123.4086 54.3138 31.4627 173.7945 771 T 4.9039 8.7499 111.4737 59.1656 71.7228 173.2654 772 P 4.3815 0.0000 0.0000 65.6693 31.4828 177.4302 773 D 4.4449 8.1429 115.1134 53.4138 39.8978 177.2577 774 G 3.9462 7.6442 106.5629 45.7895 0.0000 173.6268 775 K 4.2027 8.7352 119.9738 56.2340 33.1267 178.6693 776 G 3.6570 8.7485 112.3787 46.1632 0.0000 172.6858 777 F 3.7042 8.8189 114.7437 58.4966 36.2326 176.8521 778 G 3.9280 8.4506 111.2777 44.7332 0.0000 174.7933 779 L 4.1642 8.4047 117.1653 56.8073 41.8255 178.3002 780 G 3.8006 7.9122 104.9487 45.2764 0.0000 173.1691 781 N 4.7105 7.7393 118.1982 53.5076 38.3578 173.9420 782 L 4.5381 8.9238 125.3752 53.6246 43.0287 177.9685 783 G 4.3699 8.2588 107.8829 46.2526 0.0000 176.1015 784 K 3.8328 8.8645 117.5376 59.6301 31.9647 178.4439 785 A 4.1280 8.1284 120.4003 55.2514 18.3626 179.6851 786 G 3.3562 7.8588 103.9634 47.9366 0.0000 175.9584 787 I 3.5373 7.5713 122.3422 64.2066 37.1530 178.4174 788 N 4.3096 8.5198 117.7283 56.0064 38.1928 177.4468 789 K 3.6887 8.2262 121.4875 59.2292 32.1632 178.6301 790 F 4.0242 8.0391 120.9085 61.2755 39.0616 177.1318 791 I 3.5846 7.4750 118.3402 64.7302 36.9544 178.2371 792 T 3.8994 7.7470 115.4758 66.1229 68.3297 175.8165 793 T 4.2927 6.9263 113.4088 62.5205 69.5328 174.1917 794 H 4.0499 7.0651 121.5770 55.1982 30.2880 174.2265 795 K 4.4103 7.9717 126.0940 54.3253 33.8673 175.9147 796 C 4.3293 8.5325 122.2817 59.7004 29.0074 172.5521 797 N 5.1662 8.3410 119.5403 50.4731 40.2007 174.4689 798 A 4.0488 8.5494 118.2313 55.4876 18.1954 180.0367 799 V 3.6183 8.2009 116.9786 66.3092 31.6265 177.9071 800 C 4.1823 8.5399 115.8486 63.0412 28.0196 175.9535 801 A 4.0517 8.2273 122.1577 55.1133 17.7402 179.6550 802 L 4.0187 8.2488 117.1224 57.6689 41.7779 178.8341 803 L 4.3253 7.9941 116.0069 53.8125 42.0623 175.9991 804 D 4.4114 7.8923 117.4795 55.0817 40.1606 173.5765 805 L 4.4158 7.8711 116.4417 53.6040 42.6718 176.7619 806 D 4.4926 9.6461 123.3803 53.8975 41.5657 176.7565 807 V 3.7648 8.5672 126.4962 65.5307 31.7884 176.1007 808 K 4.1695 8.4017 120.0161 56.6822 32.4655 176.8748 809 L 4.1306 8.6640 122.8912 55.2014 41.0979 174.2509 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 552 I 8.02 4.05 1.86 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 1.29 1.34 0.90 0.00 0.00 553 S 7.36 4.63 0.00 3.86 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 0.00 554 S 8.38 4.28 0.00 3.90 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 555 E 7.61 4.20 0.00 2.03 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 2.31 2.29 0.00 556 T 8.42 3.92 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 0.00 557 G 7.98 4.14 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 0.00 0.00 0.00 558 E 8.70 5.04 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.24 0.00 559 M 9.55 4.80 0.00 1.82 2.13 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.67 0.00 560 G 8.97 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 0.00 0.00 0.00 0.00 561 I 8.40 4.53 1.92 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.93 0.68 0.00 0.00 562 L 8.60 5.19 0.00 1.66 1.41 0.73 0.82 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 0.00 563 W 9.83 5.64 0.00 3.57 3.62 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 0.00 564 E 9.91 5.37 0.00 2.57 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 2.27 2.28 0.00 565 F 8.75 4.38 0.00 1.51 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 566 D 7.73 4.38 0.00 2.50 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 0.00 0.00 0.00 0.00 567 P 0.00 3.92 0.00 2.11 2.17 0.00 3.54 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 568 I 7.48 3.76 1.79 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 1.30 0.69 0.86 0.00 0.00 569 I 7.45 4.10 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.70 0.86 0.00 0.00 570 N 7.53 4.01 0.00 2.85 2.89 0.00 0.00 6.88 6.76 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 0.00 571 K 6.84 5.02 0.00 1.60 1.75 0.00 1.70 0.00 0.00 1.95 0.00 0.00 3.18 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.62 1.40 7.81 572 W 9.81 5.16 0.00 3.60 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.31 1.37 7.81 581 V 8.22 4.71 2.00 0.00 0.00 0.00 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 0.84 0.00 0.00 582 E 8.92 4.26 0.00 2.01 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 2.38 2.30 0.00 583 R 8.89 4.11 0.00 1.97 2.10 0.00 3.02 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 584 K 7.78 4.71 0.00 1.77 1.73 0.00 1.77 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.35 7.81 585 P 0.00 3.70 0.00 1.66 0.92 0.00 3.66 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.83 0.00 586 F 8.09 4.57 0.00 3.06 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 0.00 587 A 6.35 4.34 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 588 E 8.20 4.87 0.00 2.01 1.69 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 2.05 2.18 0.00 589 G 8.13 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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 0.94 0.00 0.00 598 V 8.34 4.82 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 1.05 0.00 0.00 0.89 0.00 0.00 599 S 9.50 4.79 0.00 4.03 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 600 L 9.32 4.82 0.00 1.68 1.63 0.94 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 601 G 8.56 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 0.00 602 V 8.00 4.72 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.84 0.00 0.00 603 G 8.91 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 0.00 0.00 0.00 0.00 604 T 8.52 4.82 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 605 D 8.43 4.88 0.00 2.82 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.11 2.29 0.00 655 A 6.94 4.05 0.49 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 0.00 0.00 0.00 0.00 0.00 0.00 656 S 7.85 4.78 0.00 3.96 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 0.00 657 R 8.75 4.05 0.00 1.88 1.93 0.00 3.23 0.00 0.00 3.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.85 0.00 658 E 8.09 3.45 0.00 1.76 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 0.00 1.69 1.47 0.00 659 L 7.71 4.00 0.00 1.66 1.47 0.80 1.11 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 0.00 660 Y 7.82 3.99 0.00 2.84 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 0.00 661 F 8.21 4.08 0.00 3.35 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 662 E 8.79 4.02 0.00 2.21 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 2.30 2.48 0.00 663 D 8.28 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0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 748 S 7.89 4.67 0.00 4.09 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 0.00 749 N 8.55 4.00 0.00 2.82 2.84 0.00 0.00 6.95 7.07 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 0.00 750 K 7.67 2.98 0.00 1.66 1.63 0.00 1.53 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.30 0.69 7.81 751 Q 7.68 4.14 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 752 M 7.44 4.69 0.00 1.86 1.74 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.37 0.00 753 I 8.00 4.42 1.66 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.02 0.66 0.00 0.00 754 V 8.11 4.35 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 0.93 0.00 0.00 0.55 0.00 0.00 755 V 8.31 4.84 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.84 0.00 0.00 756 D 8.57 5.13 0.00 2.91 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 0.00 757 I 8.51 4.01 1.68 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.07 -0.15 0.00 0.00 758 Q 7.64 4.86 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.97 0.00 0.00 0.00 0.00 0.00 2.65 2.63 0.00 759 G 6.61 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 760 V 7.50 4.57 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 1.14 0.00 0.00 1.06 0.00 0.00 761 D 8.23 4.32 0.00 2.75 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 0.00 0.00 0.00 762 D 8.20 3.98 0.00 2.34 2.16 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 0.00 763 L 7.64 4.50 0.00 1.54 1.45 0.83 1.16 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 0.00 764 Y 8.49 5.28 0.00 1.77 2.45 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 0.00 765 T 8.99 5.03 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 *767 P 0.00 4.75 0.00 2.04 2.27 0.00 3.53 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.37 0.00 768 Q 8.81 4.53 0.00 2.21 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.21 0.00 769 I 8.32 4.52 1.32 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.48 0.03 0.00 0.00 770 H 8.57 5.35 0.00 3.00 3.25 0.00 5.57 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 771 T 8.75 4.90 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 1.22 0.00 0.00 772 P 0.00 4.38 0.00 2.09 2.20 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.21 0.00 773 D 8.14 4.44 0.00 2.79 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 0.00 774 G 7.64 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 0.00 775 K 8.74 4.20 0.00 1.91 1.76 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.57 7.81 776 G 8.75 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 777 F 8.82 3.70 0.00 3.25 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 0.00 778 G 8.45 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 0.00 0.00 0.00 779 L 8.40 4.16 0.00 1.63 1.72 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 780 G 7.91 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 781 N 7.74 4.71 0.00 3.04 2.86 0.00 0.00 7.05 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 0.00 782 L 8.92 4.54 0.00 1.65 1.61 0.80 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 783 G 8.26 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 0.00 0.00 0.00 0.00 784 K 8.86 3.83 0.00 1.82 1.90 0.00 1.70 0.00 0.00 1.84 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.74 7.81 785 A 8.13 4.13 1.43 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 0.00 0.00 786 G 7.86 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 787 I 7.57 3.54 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.84 0.55 0.00 0.00 788 N 8.52 4.31 0.00 2.71 2.81 0.00 0.00 6.72 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 789 K 8.23 3.69 0.00 1.46 1.56 0.00 1.17 0.00 0.00 0.99 0.00 0.00 2.55 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.30 0.97 7.81 790 F 8.04 4.02 0.00 3.12 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 0.00 791 I 7.48 3.58 1.93 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 0.00 1.64 0.82 0.86 0.00 0.00 792 T 7.75 3.90 4.23 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 0.00 0.00 0.00 1.12 0.00 0.00 793 T 6.93 4.29 4.05 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 0.00 0.00 1.16 0.00 0.00 794 H 7.07 4.05 0.00 1.96 2.79 0.00 5.71 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 795 K 7.97 4.41 0.00 1.64 1.61 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.25 1.30 7.81 796 C 8.53 4.33 0.00 2.99 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 797 N 8.34 5.17 0.00 2.93 2.94 0.00 0.00 6.10 7.12 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 0.00 798 A 8.55 4.05 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 799 V 8.20 3.62 2.34 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 1.21 0.00 0.00 1.02 0.00 0.00 800 C 8.54 4.18 0.00 3.29 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 0.00 801 A 8.23 4.05 1.40 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 0.00 0.00 0.00 802 L 8.25 4.02 0.00 1.87 1.75 0.93 0.94 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 0.00 803 L 7.99 4.33 0.00 1.89 1.90 1.13 0.61 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 0.00 804 D 7.89 4.41 0.00 2.81 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 0.00 805 L 7.87 4.42 0.00 1.66 1.48 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 806 D 9.65 4.49 0.00 2.62 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 807 V 8.57 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 0.89 0.00 0.00 0.97 0.00 0.00 808 K 8.40 4.17 0.00 1.94 1.77 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.48 1.47 7.81 809 L 8.66 4.13 0.00 1.97 2.02 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.