NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *578 H 4.7332 8.4444 117.3805 53.5817 30.5646 172.7007 579 K 4.4719 7.8646 119.7341 54.2168 33.6066 174.2953 580 T 4.3580 9.3608 123.9594 62.0541 69.3626 172.7825 581 L 5.2775 9.6105 128.1252 52.4434 45.5444 177.3439 582 A 3.9999 9.1986 122.7676 55.6362 18.3108 179.9467 583 M 4.1785 7.7415 111.8098 57.8216 31.5523 177.5157 584 D 4.4766 7.7526 118.4924 55.9827 41.2276 177.1005 585 V 4.1745 7.5081 116.9854 63.2738 33.5440 175.5948 586 M 4.3386 7.7971 116.4107 55.8757 31.6556 176.2193 587 K 4.8333 8.8657 120.1997 54.0004 34.8801 174.3781 588 P 4.5998 0.0000 0.0000 63.1384 32.2637 177.2610 589 R 4.3915 8.0719 120.4827 55.7401 32.2411 176.0645 590 R 4.0323 8.7812 118.3003 60.3425 30.2170 179.6684 591 N 4.9825 7.8909 113.1276 53.3597 39.2132 174.3809 592 D 5.0247 7.7812 116.4732 51.5008 43.8047 174.6018 593 P 4.5584 0.0000 0.0000 62.0295 32.1786 176.1696 594 L 4.1265 8.1763 118.7109 54.2816 42.0829 177.1945 595 L 3.8249 8.3453 122.6225 55.8353 42.3072 177.0227 596 T 4.2899 8.3385 122.8102 63.1894 68.1142 173.9528 597 V 4.7375 8.1172 125.8112 60.9654 34.8834 174.4845 598 L 4.8081 8.4999 126.1854 53.4976 43.5465 176.1311 599 T 4.8767 8.3504 112.6384 60.9671 70.5858 175.5492 600 Q 4.2896 9.0918 121.1753 58.8455 29.2970 177.2422 601 D 4.9027 8.1003 116.0021 53.4816 43.4986 175.9151 602 S 4.7010 8.4395 111.5262 57.8030 64.0385 173.7093 603 M 4.2878 7.8875 122.4518 55.1318 32.6184 176.3518 604 T 4.6845 8.4149 114.4768 60.8017 71.7971 176.1102 605 V 3.5524 8.3649 120.2401 65.9241 31.2667 177.6176 606 E 3.9424 8.2657 119.3390 59.0106 29.5434 178.1653 607 D 4.3495 7.8989 118.6796 57.7563 40.9032 179.3344 608 V 3.5451 7.5337 118.3559 65.7845 31.4540 177.9531 609 E 3.9562 8.1102 118.6752 59.4527 29.1785 179.2878 610 T 4.1008 8.1387 111.2149 63.8044 68.9859 177.0240 611 I 3.7268 7.5385 123.0525 64.3951 36.9289 178.2890 612 I 3.8611 7.7779 120.0306 64.3071 36.6791 178.2619 613 S 4.3401 8.2608 114.8965 60.4207 62.9558 175.4269 614 E 4.4698 7.8250 120.1814 55.6852 29.9931 175.2182 615 T 4.5447 7.3936 107.8853 59.8864 71.7308 173.6420 616 T 4.4870 7.4752 108.2045 60.8173 68.5424 173.7407 617 Y 4.3487 7.1939 120.3853 58.9500 38.4868 177.8794 618 S 4.2822 8.8498 119.4556 61.4609 63.2715 173.7686 619 G 3.8857 6.7434 103.0359 45.3499 0.0000 172.7433 620 F 4.9106 7.9029 117.8068 54.7961 43.2916 173.3622 621 P 4.9290 0.0000 0.0000 62.6711 32.8496 175.1524 622 V 4.7772 9.1007 123.7266 61.2958 33.7787 175.0964 623 V 4.8157 8.3835 120.2090 59.3342 34.9408 176.9988 624 V 3.7683 8.4946 122.4482 66.0412 31.8126 176.1469 625 S 4.6384 7.6142 111.8047 57.3731 65.0667 176.0699 626 R 3.9246 8.5550 120.2221 59.1137 30.1912 178.4011 627 E 4.0816 8.2526 118.2997 59.2635 29.9563 177.9861 628 S 4.1869 7.9684 111.8161 60.0983 63.4624 174.7744 629 Q 3.5224 8.3604 118.0721 56.4120 26.9820 172.8221 630 R 4.5234 7.7709 117.2439 55.5331 31.3925 175.8337 631 L 4.3728 8.5654 126.5465 55.3306 42.1380 176.2982 632 V 4.0675 9.4418 126.6873 62.6161 33.3282 175.8389 633 G 3.9401 6.8417 105.4695 45.7725 0.0000 169.9134 634 F 5.3565 8.1246 120.8422 56.3729 43.2621 175.1414 635 V 4.6735 8.0205 124.7116 59.7284 34.7085 174.8026 636 L 4.4558 8.4517 124.0885 54.2851 42.7663 177.7579 637 R 4.1408 9.0593 124.0025 59.8428 30.0677 179.2243 638 R 3.9829 8.0185 115.2069 59.4898 29.3506 178.4444 639 D 4.3660 8.0780 119.1062 56.9562 40.9336 178.4877 640 L 4.0135 7.9061 119.2135 57.8516 41.6408 179.4081 641 I 3.6701 7.7749 119.5802 64.6564 37.0327 178.4500 642 I 3.7085 7.6710 120.0880 64.4969 36.8684 178.6876 643 S 4.0853 8.3895 116.1543 61.8325 62.7036 176.9346 644 I 3.6486 8.2112 122.7530 64.0989 36.5902 177.8754 645 E 3.9005 8.3132 119.6891 59.7183 29.7391 178.4553 646 N 4.4368 8.4513 116.1784 56.0710 38.5647 177.2135 647 A 3.9366 8.1195 122.3839 55.4264 18.3815 179.9397 648 R 4.0461 7.9989 114.2637 58.0181 30.1201 178.0225 649 K 4.3865 7.5517 118.2047 56.0277 32.3615 176.1228 650 K 4.2426 7.7539 117.9352 55.8594 33.9950 176.0120 651 Q 3.2439 7.7818 114.8504 57.4778 25.6157 173.2414 652 D 4.6538 7.8672 113.3577 53.7971 41.7910 177.7968 653 G 3.8581 8.1807 106.4793 45.7680 0.0000 173.9903 654 V 3.6885 7.6677 119.2486 62.6160 32.0939 175.5538 655 V 4.6691 8.5679 120.7435 59.6541 35.2385 176.1189 656 S 4.0944 8.6961 115.2377 62.5511 62.6760 176.0197 657 T 4.2183 7.7420 107.2110 61.7626 68.8801 174.2617 658 S 4.3788 7.7619 120.0886 58.7218 64.1198 173.5896 659 I 4.3677 8.4227 125.9492 61.3289 38.1225 175.0178 660 I 4.6968 8.8224 128.9198 60.4657 38.2546 174.9101 661 Y 5.1674 7.8880 122.9356 55.5138 41.2566 175.6746 662 F 4.8081 9.3682 118.6348 57.6274 40.5632 176.1013 663 T 4.3174 8.1717 109.0662 60.8699 69.5806 174.1431 664 E 4.1341 8.7008 122.1652 58.5124 29.8904 176.2608 665 H 4.9970 7.6991 113.5197 53.1756 32.3675 173.1203 666 S 2.7900 7.9653 116.4843 57.2677 62.6170 172.1985 667 P 4.4939 0.0000 0.0000 60.7555 32.2659 174.0620 668 P 4.2824 0.0000 0.0000 62.7703 31.5000 175.6658 669 L 4.7326 8.1220 122.2955 51.7627 44.2954 174.5722 670 P 4.3693 0.0000 0.0000 61.7780 31.3876 173.8449 671 P 4.0248 0.0000 0.0000 66.1503 31.4849 176.7841 672 Y 4.3817 7.7197 119.9272 55.4395 36.8407 174.9781 673 T 4.6973 7.3104 110.5221 58.6122 71.8463 173.5990 674 P 4.4344 0.0000 0.0000 61.8268 32.0554 174.4054 675 P 4.4703 0.0000 0.0000 63.7621 31.9843 176.3290 676 T 4.5708 8.3184 112.8969 60.6329 71.8447 173.6440 677 L 4.3764 8.3877 122.3972 53.1073 44.7149 175.0244 678 K 3.3744 8.2096 128.5338 55.2448 32.8958 176.3891 679 L 4.5384 7.9303 127.1628 54.2947 42.7073 178.2479 680 R 4.0356 8.0756 122.4497 59.7021 29.7842 177.9066 681 N 4.5923 8.1180 112.5299 54.3095 37.5990 175.2053 682 I 4.3419 7.5260 111.1493 60.3792 38.0218 174.7650 683 L 4.2487 7.8204 123.9442 54.0581 42.7491 175.6253 684 D 4.5029 9.1000 126.7409 54.1446 40.5766 176.2240 685 L 4.3998 8.4144 126.1387 55.5499 42.5925 177.2433 686 S 4.6493 8.2074 114.3313 56.6339 63.2754 172.5141 687 P 4.3450 0.0000 0.0000 62.5709 32.5751 176.3543 688 F 4.3003 8.4849 118.9627 57.6033 40.1004 174.7119 689 T 5.3282 8.5156 119.1606 61.8225 72.3963 173.5204 690 V 4.7282 9.0799 123.4243 59.9401 35.4975 174.9771 691 T 4.6012 8.4471 112.2125 61.4598 69.9598 175.2325 692 D 4.3901 9.2231 123.4715 56.3524 39.5293 177.8670 693 L 4.4243 7.7805 116.9027 54.9803 42.2777 176.8911 694 T 3.9984 7.6915 117.9569 62.7259 69.1111 172.1739 695 P 4.7551 0.0000 0.0000 62.5488 32.2864 177.2932 696 M 4.0325 8.9895 123.3751 58.4787 31.9230 178.7846 697 E 3.9866 8.2677 117.2507 59.8603 29.4175 179.3593 698 I 3.8049 7.8272 120.5544 63.8047 37.0794 178.6026 699 V 3.6510 7.6375 118.7746 65.9086 31.4913 177.9510 700 V 3.5469 8.3698 118.3507 66.0965 31.2612 177.4149 701 D 4.3328 8.0013 117.2318 57.4659 41.0296 178.2135 702 I 3.6517 8.0006 120.3484 64.4257 37.0987 178.2775 703 F 3.7483 8.6070 118.8377 60.4835 38.5247 177.7654 704 R 3.8479 7.9588 116.7385 59.6135 30.1000 178.5491 705 K 4.0930 8.2322 117.1037 58.5697 32.1149 178.4082 706 L 4.3615 7.8916 116.9434 53.0428 43.0008 176.2333 707 G 3.8262 7.8358 106.8386 46.3506 0.0000 174.2813 708 L 3.8848 7.3432 117.3508 54.3720 42.8094 177.8138 709 R 4.5395 8.2411 120.4798 58.0134 31.7223 175.9907 710 Q 5.1388 7.4434 113.9197 55.3273 31.6459 173.4426 711 C 4.8988 9.5996 120.5840 57.7184 35.2876 172.7990 712 L 4.8383 9.1106 126.0521 53.8902 43.3789 175.6246 713 V 5.0288 8.8258 122.9417 61.3612 34.1583 174.5182 714 T 5.2009 9.1821 117.1390 60.1317 72.7751 172.1629 715 H 4.8685 9.2664 122.0471 54.6209 32.6458 173.2911 716 N 3.9787 9.6036 125.2426 54.4069 35.8344 175.2761 717 G 3.9654 8.0781 103.0976 45.5630 0.0000 172.9279 718 R 4.6200 7.7387 119.3931 53.7993 32.2911 175.2867 719 L 4.3983 8.7942 124.6473 55.1939 42.7057 176.0057 720 L 4.5681 8.4959 125.2432 56.2843 44.3793 176.2776 721 G 4.1180 7.3261 102.7286 46.1701 0.0000 171.7481 722 I 5.2362 8.7402 119.0239 59.3584 42.1368 174.9709 723 I 5.0147 9.1740 128.5851 59.8606 40.4337 175.4414 724 T 4.7505 9.1034 118.1416 60.1148 71.1712 175.9087 725 K 3.8410 8.7835 122.3559 59.7010 31.9889 178.6387 726 K 4.0177 7.9867 119.1880 59.1774 32.1803 178.4638 727 D 4.2619 7.7311 119.4633 57.2263 40.7181 178.7281 728 V 3.3817 7.4026 118.6854 65.8847 31.3286 178.1044 729 L 3.9542 7.7808 118.6573 57.8189 41.5026 179.6914 730 K 3.9147 8.2545 118.5545 59.4749 31.8630 179.0142 731 H 4.1151 8.1585 118.7470 59.1470 29.9421 177.2669 732 I 3.6234 7.8516 121.4499 64.3777 36.7330 178.1152 733 A 3.9048 7.9178 120.4791 55.1810 18.2396 179.1328 734 Q 3.9301 7.5234 116.7567 59.6865 29.2295 178.1667 735 M 4.0040 7.4764 118.0966 57.1052 32.4508 177.1459 736 A 3.1764 6.9005 120.5252 51.3786 17.8036 174.9409 737 N 4.2993 7.8527 120.6137 54.4300 45.2592 175.6498 *745 F 4.4197 7.9676 115.6662 57.5354 40.0767 175.0398 746 N 4.8556 8.6747 120.7288 53.9276 38.9296 177.0009 747 E 4.4025 8.2785 120.2756 58.0908 29.7846 178.2946 748 F 4.3083 8.2850 120.6210 60.7086 39.6523 176.6734 749 L 3.9048 7.5923 118.3329 56.1176 42.0991 177.0011 750 E 4.6355 7.5949 118.1633 54.9977 30.2105 176.5239 751 V 3.9250 7.2522 123.7016 63.3332 31.0668 173.6063 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 4.73 0.00 2.95 3.05 0.00 7.15 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 0.00 579 K 7.86 4.47 0.00 1.86 1.75 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.47 7.81 580 T 9.36 4.36 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 1.31 0.00 0.00 581 L 9.61 5.28 0.00 1.56 1.77 0.93 1.01 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 0.00 582 A 9.20 4.00 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 0.00 583 M 7.74 4.18 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.67 0.00 584 D 7.75 4.48 0.00 2.84 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 0.00 585 V 7.51 4.17 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 0.74 0.00 0.00 0.73 0.00 0.00 586 M 7.80 4.34 0.00 2.23 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 2.59 2.71 0.00 587 K 8.87 4.83 0.00 1.62 1.72 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.50 7.81 588 P 0.00 4.60 0.00 2.08 2.27 0.00 3.89 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 8.07 4.39 0.00 1.93 1.95 0.00 3.53 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 590 R 8.78 4.03 0.00 1.77 1.96 0.00 3.21 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 7.89 4.98 0.00 2.74 2.81 0.00 0.00 6.75 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 7.78 5.02 0.00 2.73 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 593 P 0.00 4.56 0.00 2.24 2.11 0.00 3.83 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 2.07 2.07 0.00 594 L 8.18 4.13 0.00 1.68 1.67 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 595 L 8.35 3.82 0.00 1.60 1.60 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 596 T 8.34 4.29 4.45 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 1.49 0.00 0.00 597 V 8.12 4.74 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 0.86 0.00 0.00 1.01 0.00 0.00 598 L 8.50 4.81 0.00 1.55 1.61 1.00 0.23 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 0.00 599 T 8.35 4.88 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 1.24 0.00 0.00 600 Q 9.09 4.29 0.00 2.33 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.63 0.00 0.00 0.00 0.00 0.00 2.60 2.43 0.00 601 D 8.10 4.90 0.00 2.50 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 8.44 4.70 0.00 3.94 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 0.00 603 M 7.89 4.29 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 2.75 2.64 0.00 604 T 8.41 4.68 4.41 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 1.22 0.00 0.00 605 V 8.36 3.55 2.35 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 0.99 0.00 0.00 0.93 0.00 0.00 606 E 8.27 3.94 0.00 2.17 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 2.29 2.34 0.00 607 D 7.90 4.35 0.00 2.95 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 3.55 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 1.02 0.00 0.00 0.98 0.00 0.00 609 E 8.11 3.96 0.00 2.27 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 2.46 0.00 610 T 8.14 4.10 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 1.23 0.00 0.00 611 I 7.54 3.73 1.83 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.02 0.51 0.00 0.00 612 I 7.78 3.86 2.00 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 1.67 0.55 0.95 0.00 0.00 613 S 8.26 4.34 0.00 4.07 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 0.00 614 E 7.82 4.47 0.00 2.02 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 2.28 2.40 0.00 615 T 7.39 4.54 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 1.36 0.00 0.00 616 T 7.48 4.49 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 1.14 0.00 0.00 617 Y 7.19 4.35 0.00 2.65 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.85 4.28 0.00 3.95 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 0.00 619 G 6.74 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 0.00 620 F 7.90 4.91 0.00 2.74 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 621 P 0.00 4.93 0.00 2.13 2.08 0.00 3.81 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 2.18 2.29 0.00 622 V 9.10 4.78 1.79 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 0.66 0.00 0.00 0.17 0.00 0.00 623 V 8.38 4.82 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 0.64 0.00 0.00 1.03 0.00 0.00 624 V 8.49 3.77 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 0.77 0.00 0.00 0.98 0.00 0.00 625 S 7.61 4.64 0.00 4.00 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 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0.00 3.06 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 0.00 635 V 8.02 4.67 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 0.64 0.00 0.00 1.07 0.00 0.00 636 L 8.45 4.46 0.00 1.66 1.65 0.99 1.07 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 0.00 637 R 9.06 4.14 0.00 2.08 2.12 0.00 3.28 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 638 R 8.02 3.98 0.00 2.07 2.21 0.00 3.22 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 639 D 8.08 4.37 0.00 2.92 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 0.00 640 L 7.91 4.01 0.00 1.97 1.75 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 641 I 7.77 3.67 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.87 0.92 0.00 0.00 642 I 7.67 3.71 1.88 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 1.53 0.85 0.91 0.00 0.00 643 S 8.39 4.09 0.00 4.00 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 0.00 644 I 8.21 3.65 1.85 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 1.35 0.72 0.88 0.00 0.00 645 E 8.31 3.90 0.00 2.18 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 2.33 2.37 0.00 646 N 8.45 4.44 0.00 2.93 2.84 0.00 0.00 7.00 8.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 647 A 8.12 3.94 1.35 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 0.00 0.00 0.00 648 R 8.00 4.05 0.00 1.78 1.99 0.00 3.33 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 649 K 7.55 4.39 0.00 2.00 1.93 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.42 7.81 650 K 7.75 4.24 0.00 2.03 2.06 0.00 2.06 0.00 0.00 1.91 0.00 0.00 3.01 0.00 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0.00 2.17 2.09 0.00 3.49 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 1.91 2.14 0.00 668 P 0.00 4.28 0.00 2.17 2.08 0.00 3.66 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 669 L 8.12 4.73 0.00 1.56 1.56 0.90 1.07 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 0.00 670 P 0.00 4.37 0.00 2.06 2.04 0.00 3.72 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 2.05 2.10 0.00 671 P 0.00 4.02 0.00 2.46 2.23 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 672 Y 7.72 4.38 0.00 2.94 2.98 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 0.00 673 T 7.31 4.70 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 1.24 0.00 0.00 674 P 0.00 4.43 0.00 2.07 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 2.13 0.00 675 P 0.00 4.47 0.00 1.93 2.01 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.11 0.00 676 T 8.32 4.57 4.60 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 1.32 0.00 0.00 677 L 8.39 4.38 0.00 1.60 1.34 0.81 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 678 K 8.21 3.37 0.00 1.29 1.44 0.00 1.86 0.00 0.00 1.67 0.00 0.00 2.74 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.20 1.13 7.81 679 L 7.93 4.54 0.00 0.73 1.35 0.74 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 680 R 8.08 4.04 0.00 1.78 1.96 0.00 3.38 0.00 0.00 3.46 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.65 0.00 681 N 8.12 4.59 0.00 2.88 2.92 0.00 0.00 5.87 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 7.53 4.34 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.87 0.93 0.00 0.00 683 L 7.82 4.25 0.00 1.83 1.84 0.61 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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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 0.94 0.00 0.00 0.93 0.00 0.00 701 D 8.00 4.33 0.00 3.06 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 0.00 702 I 8.00 3.65 2.04 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 1.51 0.65 0.76 0.00 0.00 703 F 8.61 3.75 0.00 3.29 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 704 R 7.96 3.85 0.00 1.84 2.09 0.00 3.26 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 1.64 1.67 0.00 705 K 8.23 4.09 0.00 1.78 1.82 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.46 1.55 7.81 706 L 7.89 4.36 0.00 1.32 1.20 0.57 0.71 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 0.00 707 G 7.84 3.83 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 0.00 0.00 0.00 708 L 7.34 3.88 0.00 0.35 0.93 0.14 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 709 R 8.24 4.54 0.00 1.70 1.97 0.00 3.33 0.00 0.00 3.38 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 710 Q 7.44 5.14 0.00 1.87 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.69 0.00 0.00 0.00 0.00 0.00 1.82 1.43 0.00 711 C 9.60 4.90 0.00 2.89 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 0.00 712 L 9.11 4.84 0.00 1.56 1.55 0.98 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 713 V 8.83 5.03 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 1.12 0.00 0.00 0.95 0.00 0.00 714 T 9.18 5.20 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 9.27 4.87 0.00 3.31 3.17 0.00 5.93 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 716 N 9.60 3.98 0.00 2.77 2.76 0.00 0.00 7.22 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 8.08 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 0.00 0.00 0.00 718 R 7.74 4.62 0.00 1.95 1.84 0.00 3.15 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 1.56 1.78 0.00 719 L 8.79 4.40 0.00 1.57 1.71 1.02 0.98 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 0.00 720 L 8.50 4.57 0.00 1.72 1.65 0.93 0.86 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 0.00 721 G 7.33 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 722 I 8.74 5.24 1.86 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 1.21 1.79 0.84 0.00 0.00 723 I 9.17 5.01 1.99 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 1.25 0.88 0.70 0.00 0.00 724 T 9.10 4.75 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 0.00 725 K 8.78 3.84 0.00 2.10 1.93 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.51 7.81 726 K 7.99 4.02 0.00 1.86 1.78 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.51 7.81 727 D 7.73 4.26 0.00 2.82 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 7.40 3.38 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 -0.29 0.00 0.00 729 L 7.78 3.95 0.00 1.87 1.67 0.91 1.15 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 0.00 730 K 8.25 3.91 0.00 1.91 1.83 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.55 7.81 731 H 8.16 4.12 0.00 3.18 3.40 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 7.85 3.62 2.03 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 1.49 1.13 1.06 0.00 0.00 733 A 7.92 3.90 1.31 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 0.00 0.00 0.00 734 Q 7.52 3.93 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.93 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 735 M 7.48 4.00 0.00 1.84 2.07 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 2.34 2.06 0.00 736 A 6.90 3.18 0.65 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 0.00 0.00 0.00 0.00 0.00 0.00 737 N 7.85 4.30 0.00 2.59 2.76 0.00 0.00 7.16 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 7.97 4.42 0.00 3.09 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 8.67 4.86 0.00 2.81 2.89 0.00 0.00 6.90 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 8.28 4.40 0.00 2.26 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 2.69 2.30 0.00 748 F 8.28 4.31 0.00 2.98 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 7.59 3.90 0.00 1.78 1.66 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 750 E 7.59 4.64 0.00 2.05 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 0.00 2.42 2.30 0.00 751 V 7.25 3.93 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 0.59 0.00 0.00 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.