NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *578 H 4.6825 8.4444 117.3809 53.7459 30.4450 172.7649 579 K 4.3555 7.8434 121.7518 53.8574 33.4105 174.5199 580 T 4.2343 9.4341 124.8047 62.4520 69.1054 172.9822 581 L 5.2438 9.5286 129.5132 52.7539 44.8704 177.4139 582 A 4.0427 8.6057 122.0327 55.3173 18.3362 179.5858 583 M 4.2785 7.8775 111.7217 57.2675 31.9351 177.3562 584 D 4.4438 7.7607 119.1536 56.4333 41.1490 177.2886 585 V 4.0712 7.4889 116.6963 63.3530 32.7758 175.6819 586 M 4.4182 7.5362 116.2913 55.5999 31.8998 175.9746 587 K 4.7819 8.6242 119.6359 53.9913 35.0979 174.1628 588 P 4.6682 0.0000 0.0000 62.8215 32.5123 177.2935 589 R 4.3313 7.9837 120.9228 55.7739 32.0576 175.8860 590 R 3.9991 8.5941 118.0672 60.2246 30.3548 179.4947 591 N 4.9127 7.8062 113.8161 53.6493 39.1244 174.5316 592 D 5.0436 7.7506 116.2912 51.5595 44.1748 174.5171 593 P 4.6039 0.0000 0.0000 61.7048 32.4144 175.9600 594 L 4.1365 8.1958 118.5761 54.4095 42.0435 177.2050 595 L 3.9657 8.2319 122.5621 55.4765 42.5195 176.7380 596 T 4.3565 8.3691 122.8322 63.0769 68.6585 174.1097 597 V 4.7831 8.1854 125.6199 61.0325 35.2688 174.2662 598 L 4.8810 8.4168 125.2574 53.1572 44.0200 176.4573 599 T 4.8110 8.4709 113.2094 61.4514 70.1497 174.5148 600 Q 4.7268 8.6889 119.6560 57.5773 29.3896 176.9108 601 D 4.8517 8.2586 116.2364 53.8306 43.9525 175.8374 602 S 4.7007 8.3624 111.0075 57.8630 63.9046 173.6030 603 M 4.3420 7.8802 122.3127 54.9476 32.8129 176.1479 604 T 4.7501 8.3415 114.1281 60.6124 72.1199 175.9840 605 V 3.5343 8.4000 120.6310 65.9161 31.2707 177.7370 606 E 3.8908 7.9635 119.3003 59.2956 29.0104 178.2519 607 D 4.3530 7.6584 117.9437 57.7383 41.0129 179.3138 608 V 3.5934 7.5254 118.2522 65.6054 31.3206 177.9397 609 E 4.0411 7.9932 118.6879 59.1785 29.1427 178.5872 610 T 4.1384 8.3236 108.7318 63.3517 69.1519 176.2586 611 I 3.9765 7.2132 122.2544 63.7922 37.4147 177.9321 612 I 3.9745 7.4734 119.7261 63.9070 36.9632 177.9751 613 S 4.4163 7.7078 114.2883 60.2427 63.4413 175.4303 614 E 4.3945 7.5397 119.8105 55.9438 29.7778 175.5569 615 T 4.5450 7.0191 107.5376 60.1018 72.0094 173.5533 616 T 4.5401 7.5298 108.3649 61.1065 69.5955 173.6307 617 Y 4.4146 7.3637 119.1277 58.8757 38.4371 176.9994 618 S 4.2160 8.8399 119.4645 61.5836 63.2474 173.8710 619 G 4.0171 7.1152 104.5242 45.2663 0.0000 172.4990 620 F 4.9638 8.0225 117.9155 54.6947 43.0248 173.4474 621 P 4.9304 0.0000 0.0000 62.7964 32.9145 175.2110 622 V 4.6876 8.9435 123.4806 61.3225 33.8176 175.1496 623 V 4.7505 8.3246 120.4408 59.3968 34.7929 176.8713 624 V 3.8220 8.4227 121.6971 65.9430 31.8577 176.1313 625 S 4.6322 7.5136 111.7933 57.6357 64.7991 177.2097 626 R 3.8989 8.7148 120.5566 59.2775 30.1886 178.2006 627 E 4.0875 8.3158 118.0172 59.3275 29.8994 178.0441 628 S 4.1861 7.9377 111.7424 60.4195 63.4586 175.0250 629 Q 3.5537 8.3763 118.3411 56.3640 26.8893 172.9132 630 R 4.5189 7.5648 117.0707 55.6218 31.3779 175.8889 631 L 4.3552 8.5389 126.0694 55.2455 42.2866 176.2789 632 V 4.1590 9.4704 125.6234 62.4419 33.9755 175.6470 633 G 3.9394 6.8191 105.4353 45.7212 0.0000 170.0343 634 F 5.4374 7.9712 120.7693 56.3391 43.1573 175.2242 635 V 4.7353 7.7215 123.9901 59.7433 34.7683 174.8447 636 L 4.4888 8.4040 123.4920 54.3902 42.8776 177.9095 637 R 4.0807 8.9970 123.4166 59.7795 29.9838 179.2629 638 R 3.9920 8.0824 115.3448 59.4814 29.1735 178.4698 639 D 4.3136 8.0377 118.8787 57.1147 41.0271 178.0881 640 L 3.9896 7.8046 119.4292 58.1589 41.6917 179.7746 641 I 3.6710 7.8203 119.0784 64.4626 37.0571 178.3502 642 I 3.6630 7.4681 120.3579 64.6276 37.0532 178.5178 643 S 4.0948 8.3857 116.0180 61.8877 62.8591 177.0758 644 I 3.6911 8.1502 122.6941 64.1103 36.5927 177.7887 645 E 3.8952 8.3590 119.5828 59.8023 29.6024 178.5041 646 N 4.4226 8.5949 116.2698 56.2214 38.6582 177.3738 647 A 4.0018 7.8738 121.8072 55.0577 18.3636 179.7031 648 R 4.0680 7.8120 114.5968 57.8845 30.1031 177.9604 649 K 4.4356 7.3144 118.0063 56.0543 32.5167 175.8752 650 K 4.1548 7.8639 119.1751 56.4420 33.4865 176.4072 651 Q 3.2752 7.7550 113.6631 57.2392 25.5202 172.9280 652 D 4.7603 7.8981 114.1955 53.6727 41.6406 177.0077 653 G 3.8841 8.0517 105.5426 46.4939 0.0000 174.5891 654 V 3.7620 7.9096 119.4267 62.2389 32.1872 175.1702 655 V 4.6761 7.9503 120.4340 59.5991 34.8688 176.2078 656 S 4.1699 8.6154 115.0414 61.8125 62.7838 175.8311 657 T 4.5435 7.6914 108.1574 61.3125 68.9938 174.5404 658 S 4.3350 7.7293 119.9069 58.9412 64.1124 173.7848 659 I 4.3637 8.4759 125.3625 61.3613 38.2991 174.8420 660 I 4.8925 8.5782 127.4007 59.9035 39.3406 174.7528 661 Y 5.6618 7.6743 121.7788 55.0735 41.3736 175.3164 662 F 4.8643 9.1559 118.2778 57.5892 40.5693 175.7675 663 T 4.3746 8.1576 109.4301 60.6590 69.7946 174.1916 664 E 4.1343 8.6320 121.6807 58.5878 29.8692 176.1435 665 H 4.9464 7.6530 113.5272 53.2701 32.6819 173.0084 666 S 2.8897 8.0139 116.5786 57.3314 62.6916 172.1487 667 P 4.5297 0.0000 0.0000 60.5894 32.4117 173.9893 668 P 4.2771 0.0000 0.0000 62.8498 31.4471 175.6665 669 L 4.7320 8.1355 121.9727 51.8072 44.4679 174.6637 670 P 4.3729 0.0000 0.0000 61.8146 31.4991 173.8997 671 P 4.0846 0.0000 0.0000 66.0314 31.2373 177.1255 672 Y 4.3956 7.6353 121.0978 55.2440 36.6890 174.8274 673 T 4.7297 7.4719 111.3842 58.6888 72.0345 173.3520 674 P 4.5024 0.0000 0.0000 61.4406 32.1451 174.2927 675 P 4.5626 0.0000 0.0000 63.6069 32.0888 175.2598 676 T 4.7689 8.3356 110.6590 59.9478 72.2215 173.2214 677 L 4.4492 8.2641 122.0079 52.9587 44.8093 175.0769 678 K 3.3830 8.2944 128.7271 54.9496 32.7621 176.8019 679 L 4.5768 7.5013 129.7625 54.2515 42.7481 179.1657 680 R 3.9187 7.8728 121.4744 59.3782 30.3067 177.2629 681 N 4.6632 8.1129 112.2686 53.7523 37.4249 174.9688 682 I 4.4718 7.3074 110.7286 60.4007 38.3295 174.7070 683 L 4.3231 7.8872 123.7737 54.1806 42.8384 175.4997 684 D 4.5375 8.8169 126.3716 54.0976 41.4316 176.3248 685 L 4.4960 8.4755 125.4682 55.1879 42.7586 176.5508 686 S 4.6328 8.5128 114.7212 56.7029 63.3598 172.6278 687 P 4.3255 0.0000 0.0000 62.2141 32.6883 176.5035 688 F 4.3077 8.4121 119.5950 57.9904 39.9494 174.4798 689 T 5.3456 8.4616 118.5875 62.1195 72.6058 173.3068 690 V 4.6847 8.6881 122.1106 60.5708 35.3838 174.0653 691 T 4.7954 8.4701 112.2071 61.2258 70.0200 175.2715 692 D 4.5056 9.0554 122.6783 55.4410 39.5311 177.0059 693 L 4.5230 7.6497 118.3282 54.6710 42.4445 176.5432 694 T 4.0366 7.7537 117.9089 62.5661 69.1020 172.3165 695 P 4.6157 0.0000 0.0000 62.7237 32.1769 177.4433 696 M 4.0920 8.6400 122.5183 58.3936 31.6710 178.9465 697 E 3.9687 8.2319 117.3878 59.5033 29.5775 179.2073 698 I 3.8331 7.7503 120.7237 63.9953 37.2888 178.4285 699 V 3.6911 7.7346 118.7402 65.9322 31.4345 178.1489 700 V 3.6483 8.1209 118.3865 65.7636 31.3605 177.5536 701 D 4.3218 7.8861 117.7456 57.4260 41.0610 178.2793 702 I 3.6403 7.9048 120.2778 64.4688 36.7334 178.3816 703 F 3.7878 8.3171 118.5966 60.3796 38.2562 177.8424 704 R 3.9586 8.1903 118.2214 59.5342 29.7921 178.8002 705 K 3.8693 7.9606 116.8663 58.7531 32.1703 178.5512 706 L 4.2605 7.9509 116.9229 53.2830 43.0818 176.3388 707 G 3.8612 7.1997 106.7911 46.3394 0.0000 174.0272 708 L 4.1142 7.1405 115.7864 54.2471 43.1175 178.1793 709 R 4.4884 8.3040 120.6488 58.3053 31.6404 175.7551 710 Q 5.1987 7.6463 114.2197 56.1125 31.3923 173.0940 711 C 4.7473 8.8252 119.0623 58.2657 35.3818 172.5133 712 L 4.7763 8.8478 126.3255 53.5103 43.6967 175.4934 713 V 4.9645 8.4153 122.6414 61.3571 33.9418 174.5581 714 T 5.1415 8.9693 117.3712 60.1401 72.6333 172.5900 715 H 4.8062 8.8893 122.1652 54.4006 32.6196 173.0789 716 N 4.1060 9.5592 125.4804 54.4538 35.6748 175.8761 717 G 3.9639 8.4768 105.0689 45.4303 0.0000 173.9470 718 R 4.7019 7.3855 119.1436 53.9772 32.1200 175.2600 719 L 4.4202 8.6996 124.4960 55.0954 42.6337 176.1144 720 L 4.4539 8.4673 126.0491 56.4487 43.6282 176.4847 721 G 4.0932 7.4619 103.6141 46.5434 0.0000 171.9095 722 I 5.0961 7.9086 119.1507 59.9011 42.2865 175.1602 723 I 5.1658 8.8632 128.0936 59.8355 41.0335 174.9751 724 T 4.8252 8.4559 116.5905 59.7429 71.3065 175.4985 725 K 3.6979 8.6070 122.5300 59.8534 32.0513 178.7575 726 K 3.9540 7.9561 119.0215 59.1425 32.2523 178.3428 727 D 4.2996 7.6289 119.2921 57.4000 40.8012 178.9485 728 V 3.4569 7.3848 118.1123 65.6707 31.4103 178.1046 729 L 4.0355 7.4603 119.0062 57.4831 41.5675 179.4451 730 K 4.0290 8.1912 118.4837 59.2721 31.8972 179.0298 731 H 4.1260 8.1084 118.7866 59.1410 29.5796 177.2393 732 I 3.6085 7.3342 119.7526 64.3022 37.2748 177.6558 733 A 4.0037 7.7486 121.3627 55.5527 17.9590 179.2420 734 Q 3.8196 7.5969 116.0812 59.8775 29.0472 178.6049 735 M 3.9867 7.4454 117.9545 56.9875 32.9807 177.4102 736 A 3.6617 7.0323 121.6861 50.5083 17.0744 175.4494 737 N 4.7024 7.7302 116.1840 53.7319 45.2612 175.2702 *745 F 4.3894 7.9438 116.4988 57.4707 39.6631 175.0759 746 N 4.6269 8.7342 122.4568 53.9961 38.8805 176.7414 747 E 4.2346 8.2580 117.1349 58.4805 30.3238 178.5813 748 F 4.1661 7.7859 120.8654 60.3679 39.5337 175.7948 749 L 3.9173 7.4290 117.5987 55.2891 41.8573 176.7054 750 E 4.6758 7.3005 117.1312 55.2116 30.1692 176.4298 751 V 3.9430 7.3058 124.1409 63.2317 31.3265 174.1071 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 *578 H 8.44 4.68 0.00 2.95 3.05 0.00 7.15 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 579 K 7.84 4.36 0.00 1.86 1.77 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.47 7.81 580 T 9.43 4.23 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 1.28 0.00 0.00 581 L 9.53 5.24 0.00 1.58 1.58 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 582 A 8.61 4.04 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 583 M 7.88 4.28 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 584 D 7.76 4.44 0.00 2.89 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 0.00 585 V 7.49 4.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.69 0.00 0.00 586 M 7.54 4.42 0.00 2.23 2.05 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 2.58 2.63 0.00 587 K 8.62 4.78 0.00 1.64 1.70 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.48 7.81 588 P 0.00 4.67 0.00 2.06 2.20 0.00 3.75 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 589 R 7.98 4.33 0.00 1.90 1.95 0.00 3.49 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 590 R 8.59 4.00 0.00 1.77 1.95 0.00 3.22 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 591 N 7.81 4.91 0.00 2.75 2.81 0.00 0.00 6.71 8.06 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 0.00 592 D 7.75 5.04 0.00 2.89 2.57 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 0.00 593 P 0.00 4.60 0.00 2.23 2.10 0.00 3.83 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 594 L 8.20 4.14 0.00 1.69 1.68 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 595 L 8.23 3.97 0.00 1.61 1.59 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 596 T 8.37 4.36 4.49 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 1.55 0.00 0.00 597 V 8.19 4.78 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 0.83 0.00 0.00 1.02 0.00 0.00 598 L 8.42 4.88 0.00 1.54 1.55 0.88 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 599 T 8.47 4.81 4.28 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 0.00 0.00 0.00 1.23 0.00 0.00 600 Q 8.69 4.73 0.00 2.29 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.62 0.00 0.00 0.00 0.00 0.00 2.64 2.42 0.00 601 D 8.26 4.85 0.00 2.67 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.36 4.70 0.00 3.95 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 0.00 603 M 7.88 4.34 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.51 0.00 604 T 8.34 4.75 4.31 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 1.22 0.00 0.00 605 V 8.40 3.53 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 0.96 0.00 0.00 0.95 0.00 0.00 606 E 7.96 3.89 0.00 2.10 1.91 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 2.30 2.34 0.00 607 D 7.66 4.35 0.00 2.88 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 608 V 7.53 3.59 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 0.93 0.00 0.00 0.97 0.00 0.00 609 E 7.99 4.04 0.00 2.29 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 610 T 8.32 4.14 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 1.22 0.00 0.00 611 I 7.21 3.98 1.84 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 1.51 0.94 0.62 0.00 0.00 612 I 7.47 3.97 1.87 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 1.62 0.68 0.95 0.00 0.00 613 S 7.71 4.42 0.00 3.96 3.98 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.54 4.39 0.00 1.94 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 2.42 0.00 615 T 7.02 4.55 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 616 T 7.53 4.54 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 1.14 0.00 0.00 617 Y 7.36 4.41 0.00 2.60 2.57 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 0.00 618 S 8.84 4.22 0.00 3.95 3.97 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 0.00 619 G 7.12 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 620 F 8.02 4.96 0.00 2.79 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 0.00 621 P 0.00 4.93 0.00 2.14 2.08 0.00 3.85 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 622 V 8.94 4.69 1.82 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 0.61 0.00 0.00 0.32 0.00 0.00 623 V 8.32 4.75 2.17 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 0.84 0.00 0.00 1.03 0.00 0.00 624 V 8.42 3.82 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.99 0.00 0.00 625 S 7.51 4.63 0.00 3.99 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.87 0.91 0.00 0.00 643 S 8.39 4.09 0.00 4.01 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 644 I 8.15 3.69 1.91 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.24 0.91 0.00 0.00 645 E 8.36 3.90 0.00 2.22 2.11 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 2.33 2.37 0.00 646 N 8.59 4.42 0.00 2.90 2.84 0.00 0.00 7.03 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 0.00 647 A 7.87 4.00 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 0.00 648 R 7.81 4.07 0.00 1.82 2.00 0.00 3.29 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 649 K 7.31 4.44 0.00 1.88 1.89 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.40 7.81 650 K 7.86 4.15 0.00 2.04 2.05 0.00 2.29 0.00 0.00 1.69 0.00 0.00 3.00 0.00 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0.00 2.17 1.98 0.00 3.57 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 668 P 0.00 4.28 0.00 2.17 2.08 0.00 3.66 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 669 L 8.14 4.73 0.00 1.56 1.56 0.91 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 0.00 670 P 0.00 4.37 0.00 2.06 2.03 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 671 P 0.00 4.08 0.00 2.26 2.14 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 672 Y 7.64 4.40 0.00 2.98 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 0.00 673 T 7.47 4.73 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 1.29 0.00 0.00 674 P 0.00 4.50 0.00 2.08 2.04 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 675 P 0.00 4.56 0.00 1.93 2.02 0.00 3.64 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 676 T 8.34 4.77 4.54 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 0.00 0.00 1.30 0.00 0.00 677 L 8.26 4.45 0.00 1.63 1.35 0.80 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 678 K 8.29 3.38 0.00 1.27 1.44 0.00 1.94 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.20 1.11 7.81 679 L 7.50 4.58 0.00 0.76 1.34 0.74 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 680 R 7.87 3.92 0.00 1.77 1.92 0.00 3.37 0.00 0.00 3.45 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.71 0.00 681 N 8.11 4.66 0.00 2.87 2.91 0.00 0.00 5.79 7.81 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 0.00 682 I 7.31 4.47 1.92 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 1.22 0.87 0.93 0.00 0.00 683 L 7.89 4.32 0.00 1.86 1.87 0.71 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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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 0.94 0.00 0.00 0.96 0.00 0.00 701 D 7.89 4.32 0.00 3.02 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 0.00 702 I 7.90 3.64 1.98 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 1.47 0.53 0.67 0.00 0.00 703 F 8.32 3.79 0.00 3.35 3.05 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 0.00 704 R 8.19 3.96 0.00 1.92 2.05 0.00 3.08 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 0.00 705 K 7.96 3.87 0.00 1.80 1.80 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.45 7.81 706 L 7.95 4.26 0.00 1.31 1.22 0.33 0.72 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 0.00 707 G 7.20 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 708 L 7.14 4.11 0.00 0.62 1.13 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 709 R 8.30 4.49 0.00 1.74 2.00 0.00 3.35 0.00 0.00 3.42 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 710 Q 7.65 5.20 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.64 0.00 0.00 0.00 0.00 0.00 1.80 1.57 0.00 711 C 8.83 4.75 0.00 2.72 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 0.00 712 L 8.85 4.78 0.00 1.60 1.53 0.94 0.42 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 0.00 713 V 8.42 4.96 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 1.08 0.00 0.00 0.94 0.00 0.00 714 T 8.97 5.14 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 1.21 0.00 0.00 715 H 8.89 4.81 0.00 3.39 3.19 0.00 5.93 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 716 N 9.56 4.11 0.00 2.82 2.83 0.00 0.00 7.27 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 717 G 8.48 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 0.00 0.00 0.00 718 R 7.39 4.70 0.00 1.84 1.84 0.00 3.14 0.00 0.00 3.11 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 719 L 8.70 4.42 0.00 1.61 1.68 1.02 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 720 L 8.47 4.45 0.00 1.71 1.68 0.95 0.81 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 0.00 721 G 7.46 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 722 I 7.91 5.10 1.83 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 1.18 1.12 0.83 0.00 0.00 723 I 8.86 5.17 1.97 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 1.25 0.55 0.76 0.00 0.00 724 T 8.46 4.83 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 1.22 0.00 0.00 725 K 8.61 3.70 0.00 2.08 1.94 0.00 1.53 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.51 7.81 726 K 7.96 3.95 0.00 1.85 1.77 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.51 7.81 727 D 7.63 4.30 0.00 2.97 2.60 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 0.00 0.00 0.00 0.00 728 V 7.38 3.46 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 -0.07 0.00 0.00 729 L 7.46 4.04 0.00 1.82 1.66 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 730 K 8.19 4.03 0.00 1.90 1.82 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.57 7.81 731 H 8.11 4.13 0.00 3.19 3.39 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 732 I 7.33 3.61 2.01 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 1.48 0.89 1.05 0.00 0.00 733 A 7.75 4.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 734 Q 7.60 3.82 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.93 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 735 M 7.45 3.99 0.00 1.94 2.12 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 2.28 2.31 0.00 736 A 7.03 3.66 0.40 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 0.00 737 N 7.73 4.70 0.00 2.61 2.77 0.00 0.00 7.20 7.45 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 *745 F 7.94 4.39 0.00 3.21 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 0.00 746 N 8.73 4.63 0.00 2.82 2.88 0.00 0.00 6.88 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 0.00 747 E 8.26 4.23 0.00 2.22 2.32 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 2.70 2.40 0.00 748 F 7.79 4.17 0.00 2.78 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 749 L 7.43 3.92 0.00 1.68 1.60 0.98 0.86 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 0.00 750 E 7.30 4.68 0.00 2.11 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 2.30 2.21 0.00 751 V 7.31 3.94 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 0.67 0.00 0.00 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.