NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 540 G 3.9523 8.2133 109.7394 45.6051 0.0000 173.9892 541 H 4.0734 8.5802 115.0918 58.7034 28.4424 176.0513 542 H 4.1821 8.3762 118.0018 59.0978 28.9469 176.6655 543 H 4.1592 8.2404 118.7392 59.5675 29.8190 176.1998 544 H 4.1974 8.0491 118.9150 59.8568 29.9960 176.3642 545 H 4.3206 8.4418 119.7748 59.2212 29.5934 177.0691 546 H 4.3987 8.1419 118.2438 56.5796 29.6005 176.6798 *548 D 4.4635 8.0560 119.9005 54.0306 42.9470 177.5327 549 D 4.4174 8.3454 119.1008 57.6390 40.7104 179.0990 550 I 3.6955 7.7529 120.1739 64.0715 37.0537 178.2461 551 K 3.8007 7.9423 119.9376 59.5778 32.0097 178.7554 552 V 3.3468 7.6514 118.2058 65.8904 31.4798 177.3644 553 F 3.5794 8.2102 120.7342 61.5743 38.9807 177.0268 554 Q 3.6825 8.3443 119.1743 58.9206 28.7984 177.7225 555 N 4.1888 7.9590 117.6678 56.3748 38.4863 177.2063 556 E 3.8306 7.9557 119.9361 59.2058 29.4829 179.5793 557 V 3.2152 7.2683 118.3164 65.5201 31.4938 177.6954 558 L 4.0030 8.0263 120.5590 58.2208 41.9406 179.2080 559 G 3.6173 7.9021 105.4660 48.1210 0.0000 175.6926 560 T 3.8070 7.9987 118.3912 66.4521 68.4211 176.8039 561 L 3.6211 7.8648 120.6920 57.2623 41.5222 179.4095 562 Q 4.4211 8.7472 118.7035 59.3784 28.6871 179.2355 563 R 4.1131 8.1084 119.0217 59.1446 30.0397 179.4633 564 G 3.6435 8.2722 105.7536 47.6979 0.0000 175.7617 565 K 4.0792 8.6017 121.6810 59.2183 32.3032 178.2685 566 E 4.1252 8.2857 118.8805 58.7197 29.7306 177.7342 567 E 4.3563 8.4129 115.9902 55.1836 30.9582 175.3936 568 N 4.2720 8.2239 115.9175 53.6264 36.7911 174.9209 569 I 3.7870 7.7709 116.8953 61.5934 38.2591 177.5669 570 S 4.3827 8.4934 119.2545 58.3917 64.9373 175.1098 571 C 4.0815 8.7301 121.0201 63.2890 27.9124 176.2745 572 D 4.3289 8.0278 119.7735 57.6102 40.5520 178.5146 573 N 4.4172 8.2159 116.8988 56.0865 38.3821 177.5288 574 L 3.9346 8.1931 120.8516 57.6657 41.6539 179.6788 575 V 3.6469 7.9985 118.2723 65.9566 31.5357 177.8882 576 L 4.0259 7.9640 118.6732 57.9584 41.4592 179.3956 577 E 3.9744 8.2445 118.1702 59.6526 29.4317 179.5975 578 I 3.7316 8.0903 120.0337 64.3908 37.0960 178.1955 579 N 4.4686 8.7888 117.8499 56.4610 38.4290 177.3859 580 S 4.2702 8.2013 114.3076 61.5384 62.4726 176.1691 581 L 4.4017 8.3212 121.8010 57.7025 41.3524 179.4312 582 K 3.6372 8.5425 119.7303 59.7522 31.9800 178.5651 583 Y 4.0644 7.8064 116.3677 60.8521 37.5945 177.9885 584 A 3.8385 8.5771 122.3235 55.0289 18.5108 177.7403 585 Y 4.2256 8.2966 110.5601 56.9442 38.8084 175.1237 586 N 4.0361 7.3644 117.9436 54.7171 37.7220 173.3239 587 I 4.4434 7.2520 118.0271 59.5324 40.0987 177.1844 588 S 4.3711 8.9435 118.5760 57.7429 65.0280 175.4730 589 L 3.8869 8.2131 122.4220 57.8154 41.3953 179.4308 590 K 4.0997 7.8831 118.4282 59.4875 32.4411 178.3168 591 E 4.2728 8.1300 119.0196 59.0592 29.2692 179.2763 592 V 3.7083 7.3883 115.2767 64.3568 31.6084 177.3111 *594 Q 4.3053 7.9425 117.3191 55.8564 30.7202 177.7639 595 V 3.6434 8.1041 117.1771 65.7419 31.4861 177.6689 596 L 3.7504 8.2935 120.5452 58.2302 41.8605 179.0795 597 S 4.5236 8.0923 114.3632 62.1871 62.8877 176.2422 598 H 4.1326 8.4022 118.8058 58.9454 28.5473 178.0893 599 V 3.6509 8.1993 120.3504 66.0198 31.1425 178.2998 600 V 3.8669 7.8460 116.9601 66.1028 31.5209 177.7426 601 L 3.9226 7.7807 117.8218 57.6159 41.6337 178.9574 602 E 4.3575 8.7536 118.2969 58.2457 29.0966 178.7478 603 F 3.9618 8.0252 121.1764 61.0871 39.4065 175.3606 604 P 4.6181 0.0000 0.0000 65.3778 30.8356 178.4794 605 L 4.0869 7.9430 117.4992 57.7711 41.5660 179.0435 606 Q 4.1197 7.6726 116.7799 57.7500 28.7782 177.0926 607 Q 4.5189 7.9213 119.2479 55.5082 29.3884 174.8667 *609 D 4.4329 7.8812 116.2801 54.5926 42.1970 175.0184 610 S 4.9047 8.1061 115.3817 55.9102 65.0898 172.6794 611 P 4.1628 0.0000 0.0000 63.0105 31.4675 176.3980 612 L 4.0450 8.4713 122.2168 54.9050 41.7383 176.4174 613 D 4.8720 8.5754 123.8838 52.7505 43.1140 176.9787 614 S 4.3455 8.6732 122.6085 61.4500 63.4143 176.6062 615 S 4.1779 8.2056 117.4891 60.9622 63.0640 176.3723 616 R 3.8789 8.0554 122.6575 59.3168 29.8032 177.5591 617 Y 4.1770 8.2537 119.4648 61.2319 38.7779 178.1450 618 C 3.9952 8.5263 117.3122 62.7774 28.0140 175.9934 619 A 3.9654 7.8959 121.2653 55.0670 17.9789 179.2869 620 L 4.0519 7.4732 116.2141 57.2962 42.1036 179.0109 621 L 3.8328 7.6528 120.6156 57.9140 41.9878 178.8925 622 L 3.8160 7.6709 118.9573 57.3153 41.5142 177.7695 623 P 4.1198 0.0000 0.0000 65.1247 31.1737 178.6514 624 L 3.1257 7.5014 118.0706 57.2513 41.6818 179.2376 625 L 3.8638 7.4710 118.3976 57.6042 41.2910 179.5858 626 K 3.8516 7.5822 117.3577 59.3239 32.0340 179.0030 627 A 4.0066 7.3700 119.9987 53.9727 18.4882 178.2724 628 W 4.9650 7.7301 114.9911 56.5019 30.0724 177.7079 629 S 4.3212 8.1821 116.7110 61.5997 61.9792 174.9339 630 P 4.3288 0.0000 0.0000 65.0409 29.6027 178.7808 631 V 3.5583 7.9213 117.3024 66.0055 31.3974 177.7944 632 F 4.3655 8.4402 117.0751 61.0473 38.6135 177.5512 633 R 4.1778 7.8895 114.8194 58.0308 30.0642 178.0323 634 N 4.2930 7.8652 116.6102 55.9843 38.8959 174.8172 635 Y 4.4356 7.1706 114.2424 58.8919 39.4664 175.7029 636 I 4.3163 8.1027 121.4932 60.3048 36.4846 174.9231 637 K 4.4881 8.9547 123.5039 56.7696 34.8630 177.7977 638 R 4.6753 8.9257 116.6868 53.9119 33.6960 176.8863 639 A 3.9724 8.5947 121.9650 55.8393 18.2150 180.0816 640 A 4.0506 8.0320 118.3572 55.3113 18.4890 179.4666 641 D 4.3761 8.0460 117.0589 57.8417 40.9537 178.4497 642 H 4.1760 8.4743 116.7273 59.0058 28.7850 177.8507 643 L 4.0791 8.1526 120.6758 57.8353 41.4901 179.4372 644 E 4.0106 8.4323 118.4313 59.3467 29.3567 179.3321 645 A 4.0099 8.0471 120.7422 55.1815 18.4962 179.5864 646 L 3.5239 8.0348 117.3823 57.7995 41.4935 179.6814 647 A 4.2952 8.0725 120.3819 54.7896 18.3791 179.5662 648 A 4.0170 7.9886 119.3389 55.4152 18.4678 179.9309 649 I 3.6856 7.9978 118.8230 64.2682 37.0059 178.1071 650 E 4.1893 8.6539 120.6437 59.6737 29.7156 178.1859 651 D 4.4319 8.4809 118.0495 57.5276 40.9310 178.3385 652 F 4.1284 8.1423 120.0124 61.3648 39.7598 176.8629 653 F 4.1557 8.4846 117.3883 60.6152 38.5460 177.6627 654 L 4.0793 8.2055 117.4600 57.4869 41.5536 178.1041 655 E 4.1936 7.6811 115.7245 57.3155 30.6560 175.9828 656 H 4.6964 7.4431 115.7641 53.2595 29.2429 173.7216 657 E 3.9223 8.1515 120.4838 59.5692 29.7031 180.2168 658 A 4.1058 7.8817 120.2592 54.0730 18.7873 177.7818 659 L 4.4125 8.2928 115.6271 55.1896 42.3908 178.8230 660 G 3.9690 7.9244 107.8296 48.8147 0.0000 174.7515 661 I 3.7585 7.9928 119.6116 63.9757 37.7250 176.7930 662 S 4.3805 8.3489 117.0373 56.6320 60.2748 173.9805 *664 A 3.7664 7.8483 130.1649 52.7310 20.5645 179.6742 665 K 4.0762 7.7399 113.3282 59.2211 32.7474 178.8499 666 V 3.8181 7.7748 118.7434 65.8498 31.6997 179.3485 667 L 4.1053 6.9859 117.3999 54.8178 41.1111 179.1284 *669 A 4.2044 8.2094 122.9894 52.3411 20.5009 180.0976 670 F 3.9269 8.3090 114.3939 60.6343 39.5502 177.4594 671 Y 4.5372 8.6623 121.5147 60.2581 38.8204 177.6402 672 Q 3.8939 8.3031 116.8319 58.7729 28.1958 177.3422 673 L 4.2124 8.1333 115.9454 54.2285 41.7389 176.9451 674 E 4.0208 7.9501 116.9527 57.4924 27.6571 176.1886 675 I 3.9972 7.4347 121.7101 63.5592 37.2266 176.6665 676 L 4.8383 8.0496 119.7717 52.4322 44.1564 175.9168 677 A 4.4909 8.9243 124.9774 51.7179 20.4773 178.7918 678 G 3.8320 9.2614 110.2170 48.0947 0.0000 175.9628 679 E 4.1381 8.2575 119.4993 59.3249 29.8073 179.1440 680 T 4.0685 7.9713 110.3838 64.4420 69.0563 176.6171 681 I 3.8850 7.9036 122.6662 64.2873 37.2508 178.2552 682 L 4.1092 8.1066 119.6252 57.8929 41.2856 179.2321 683 S 4.1516 8.0077 111.5780 61.3676 62.6299 175.6444 684 W 4.4203 8.7519 131.1198 60.7517 30.2441 177.5719 685 F 3.1823 8.5233 118.9447 60.6783 38.7399 176.1796 686 S 4.4673 7.3694 111.7508 57.4818 62.9898 174.1578 687 Q 4.2545 6.8753 121.5025 55.2008 29.3355 176.8417 688 R 4.0103 8.5030 115.6991 58.6912 29.7817 176.7665 689 D 4.7758 7.6361 116.7779 51.9869 43.1447 174.9384 *692 D 4.5641 7.8206 122.3074 54.4367 43.5515 177.8159 693 K 4.1393 7.8785 119.1999 59.5834 32.3004 179.7305 694 G 3.6128 7.9946 105.7791 47.8310 0.0000 175.7181 695 Q 3.8645 7.9081 119.9875 58.6906 28.5933 178.3451 696 Q 4.1272 7.7872 119.0631 58.5259 29.3494 177.5207 697 L 4.1764 7.8950 121.8467 57.9296 41.9790 178.2927 698 R 4.2974 7.5050 115.3361 57.0076 30.0642 176.9031 699 K 4.7661 7.2400 118.0674 56.2545 32.9073 176.3013 700 N 4.7121 8.1226 117.3931 52.8403 40.8194 174.3128 701 Q 3.9175 8.5406 128.6204 59.5498 29.6195 177.8408 702 Q 3.9338 8.1865 120.0825 59.2112 28.7805 178.4115 703 L 3.9802 7.8416 120.6135 58.2695 42.4119 178.3300 704 Q 3.8094 8.2947 118.2814 59.3080 28.7523 179.5601 705 R 3.9429 8.1816 118.7495 59.4303 30.1212 178.9503 706 F 4.1795 8.0812 119.9646 61.4037 39.2011 177.2839 707 I 3.4240 8.1501 118.7643 64.0658 36.8279 178.1708 708 Q 4.0450 7.9793 119.0442 58.3302 28.7677 177.8211 709 W 4.0743 8.1388 129.4433 60.7178 30.1784 177.8229 710 L 3.7985 8.2820 120.2277 57.8097 41.2659 178.9274 711 K 3.9854 7.5625 118.3544 58.5866 31.6494 179.2761 712 E 3.8039 7.4181 118.3640 59.3338 29.6208 178.7665 713 A 3.8846 7.1103 118.5776 55.4545 18.3932 178.4706 714 E 4.1380 7.7388 119.1335 58.8716 29.6493 177.4929 *715 E 4.2320 8.0784 120.7519 56.1793 29.9075 178.4307 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 540 G 8.21 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 0.00 541 H 8.58 4.07 0.00 3.30 3.34 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 542 H 8.38 4.18 0.00 3.30 3.40 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 543 H 8.24 4.16 0.00 3.18 3.39 0.00 5.75 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 544 H 8.05 4.20 0.00 3.25 3.58 0.00 6.01 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 545 H 8.44 4.32 0.00 3.39 3.38 0.00 5.84 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 546 H 8.14 4.40 0.00 3.37 3.22 0.00 5.86 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *548 D 8.06 4.46 0.00 2.86 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 0.00 549 D 8.35 4.42 0.00 2.70 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 0.00 550 I 7.75 3.70 1.75 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.45 0.91 0.00 0.00 551 K 7.94 3.80 0.00 1.76 1.97 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.46 7.81 552 V 7.65 3.35 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 0.59 0.00 0.00 0.94 0.00 0.00 553 F 8.21 3.58 0.00 2.95 3.18 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 0.00 554 Q 8.34 3.68 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 555 N 7.96 4.19 0.00 2.84 2.74 0.00 0.00 6.99 7.70 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 0.00 556 E 7.96 3.83 0.00 1.76 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 0.00 2.17 2.28 0.00 557 V 7.27 3.22 1.77 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 0.69 0.00 0.00 0.01 0.00 0.00 558 L 8.03 4.00 0.00 1.69 1.75 0.82 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 559 G 7.90 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 0.00 0.00 0.00 560 T 8.00 3.81 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 1.09 0.00 0.00 561 L 7.86 3.62 0.00 1.55 0.80 0.39 -0.42 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 0.00 562 Q 8.75 4.42 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.69 0.00 563 R 8.11 4.11 0.00 2.06 2.00 0.00 3.13 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 564 G 8.27 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.60 4.08 0.00 1.91 2.23 0.00 1.62 0.00 0.00 1.84 0.00 0.00 3.20 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.36 7.81 566 E 8.29 4.13 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 567 E 8.41 4.36 0.00 2.08 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 0.00 2.30 2.44 0.00 568 N 8.22 4.27 0.00 2.86 2.86 0.00 0.00 6.96 7.61 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 0.00 569 I 7.77 3.79 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.50 0.92 0.00 0.00 570 S 8.49 4.38 0.00 4.06 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 571 C 8.73 4.08 0.00 3.02 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 0.00 572 D 8.03 4.33 0.00 2.69 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 0.00 573 N 8.22 4.42 0.00 2.87 2.87 0.00 0.00 7.08 6.90 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 0.00 574 L 8.19 3.93 0.00 1.75 1.56 0.73 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 575 V 8.00 3.65 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.86 0.00 0.00 576 L 7.96 4.03 0.00 1.91 1.74 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 577 E 8.24 3.97 0.00 2.15 1.98 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 2.34 2.55 0.00 578 I 8.09 3.73 1.99 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.63 0.88 0.00 0.00 579 N 8.79 4.47 0.00 2.87 3.10 0.00 0.00 6.66 6.91 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 0.00 580 S 8.20 4.27 0.00 4.00 4.07 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 0.00 581 L 8.32 4.40 0.00 2.15 2.10 0.72 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 582 K 8.54 3.64 0.00 1.70 1.85 0.00 0.99 0.00 0.00 0.61 0.00 0.00 2.59 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.15 1.28 7.81 583 Y 7.81 4.06 0.00 3.10 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 584 A 8.58 3.84 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 585 Y 8.30 4.23 0.00 3.33 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 586 N 7.36 4.04 0.00 2.72 2.80 0.00 0.00 6.99 8.24 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 0.00 587 I 7.25 4.44 1.15 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.48 -0.13 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1.85 1.82 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.33 7.81 666 V 7.77 3.82 2.21 0.00 0.00 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 1.29 0.00 0.00 667 L 6.99 4.11 0.00 0.99 1.53 0.84 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 *669 A 8.21 4.20 1.22 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 0.00 0.00 670 F 8.31 3.93 0.00 3.25 3.06 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 0.00 0.00 0.00 671 Y 8.66 4.54 0.00 3.20 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 672 Q 8.30 3.89 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.89 0.00 0.00 0.00 0.00 0.00 2.60 2.42 0.00 673 L 8.13 4.21 0.00 1.66 1.58 0.77 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 674 E 7.95 4.02 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.34 0.00 675 I 7.43 4.00 2.12 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.42 1.01 0.00 0.00 676 L 8.05 4.84 0.00 1.85 1.65 0.57 0.61 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 0.00 677 A 8.92 4.49 1.32 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 0.00 0.00 0.00 678 G 9.26 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 0.00 679 E 8.26 4.14 0.00 2.22 2.26 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 2.41 2.34 0.00 680 T 7.97 4.07 4.36 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 1.30 0.00 0.00 681 I 7.90 3.88 2.11 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.87 1.20 0.00 0.00 682 L 8.11 4.11 0.00 1.90 1.77 0.89 0.31 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 0.00 683 S 8.01 4.15 0.00 3.95 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 0.00 684 W 8.75 4.42 0.00 3.45 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 0.00 685 F 8.52 3.18 0.00 3.30 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 686 S 7.37 4.47 0.00 4.01 3.85 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 0.00 0.00 0.00 0.00 687 Q 6.88 4.25 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.97 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 688 R 8.50 4.01 0.00 1.88 2.02 0.00 3.13 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 689 D 7.64 4.78 0.00 2.62 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 *692 D 7.82 4.56 0.00 2.80 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 0.00 693 K 7.88 4.14 0.00 1.80 1.87 0.00 1.66 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.50 7.81 694 G 7.99 3.61 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 0.00 0.00 0.00 695 Q 7.91 3.86 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.28 0.00 696 Q 7.79 4.13 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 697 L 7.90 4.18 0.00 1.97 1.86 1.02 0.99 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 0.00 698 R 7.51 4.30 0.00 1.65 1.37 0.00 2.84 0.00 0.00 2.52 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.15 0.00 699 K 7.24 4.77 0.00 1.83 1.82 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.48 7.81 700 N 8.12 4.71 0.00 2.97 2.78 0.00 0.00 6.90 7.06 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 0.00 701 Q 8.54 3.92 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.60 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 702 Q 8.19 3.93 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.70 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 703 L 7.84 3.98 0.00 1.86 1.94 1.26 1.20 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 0.00 704 Q 8.29 3.81 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.53 0.00 0.00 0.00 0.00 0.00 2.55 2.68 0.00 705 R 8.18 3.94 0.00 2.06 2.04 0.00 3.31 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 706 F 8.08 4.18 0.00 2.96 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 707 I 8.15 3.42 1.38 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 -0.36 0.48 0.00 0.00 708 Q 7.98 4.04 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.73 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 709 W 8.14 4.07 0.00 3.46 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 0.00 710 L 8.28 3.80 0.00 1.12 1.41 0.15 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 711 K 7.56 3.99 0.00 1.85 1.75 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.47 7.81 712 E 7.42 3.80 0.00 1.73 1.71 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 2.21 2.17 0.00 713 A 7.11 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 714 E 7.74 4.14 0.00 1.91 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 2.52 2.45 0.00 *715 E 8.08 4.23 0.00 1.95 1.71 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 2.22 2.12 0.00 * Residues marked with a * may have inaccurate shift predictions.