NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 552 I 3.8934 8.0244 120.7845 60.7404 37.9291 174.2417 *555 E 4.0740 8.1458 126.3487 55.3240 30.5313 175.0534 556 T 4.1376 8.3801 117.1068 61.9485 68.5320 174.0126 557 G 4.0583 7.8721 117.8953 45.6260 0.0000 171.8120 558 E 4.9226 8.5869 119.5297 54.8684 33.3986 175.6046 559 M 4.8181 8.9600 120.9697 55.2321 33.4509 175.9221 560 G 4.1878 8.9098 107.3522 44.9749 0.0000 171.4976 561 I 4.6373 8.1830 122.3486 59.5763 39.0372 174.4559 562 L 5.1956 8.4672 129.3885 53.0626 44.5028 174.8306 563 W 5.5155 9.8456 126.2752 55.0120 32.2270 174.0202 564 E 5.2802 9.7593 125.8078 54.5001 31.8746 174.0939 565 F 4.5359 8.8016 128.6047 56.4041 41.2250 174.3368 566 D 4.3738 7.2642 125.1873 51.7214 42.6425 174.5129 567 P 3.9956 0.0000 0.0000 65.3986 31.6798 179.0931 568 I 3.6441 7.3870 117.1531 63.1873 37.8946 176.3080 569 I 4.0398 7.4935 110.8063 59.6650 38.4139 174.4074 570 N 4.0586 7.5577 118.9279 54.1895 37.8493 173.3074 571 K 4.9663 6.9905 114.5011 54.8291 37.6671 176.7959 572 W 5.3132 9.3179 122.7095 56.3067 31.1856 175.3543 573 I 4.7597 9.5638 124.6710 59.6546 39.2001 174.4049 574 R 4.4148 8.5973 127.5685 54.7677 31.4604 174.8321 575 L 5.0301 8.6371 126.2222 53.0057 46.5429 175.1227 576 S 5.2623 8.6882 112.9615 57.3609 66.6262 172.8904 577 M 5.1969 8.7081 117.3585 54.1458 35.3204 173.1256 578 K 5.1794 8.6507 119.5315 54.6526 35.5896 174.7005 579 L 5.1612 8.8712 125.4467 54.3959 44.7502 174.3740 580 K 4.8103 9.0763 121.4761 54.6426 34.8395 174.8907 581 V 4.7009 8.2601 127.2440 59.5399 33.0745 175.5096 582 E 4.0516 8.5450 124.8736 56.8168 29.6603 177.7437 583 R 4.0801 8.7880 121.8323 58.1455 30.6396 176.8387 584 K 4.8631 7.8046 115.7402 53.3239 35.0454 174.0878 585 P 3.9082 0.0000 0.0000 62.6664 31.6988 176.1380 586 F 4.6167 8.2152 114.1038 57.2833 39.2489 175.3332 587 A 4.2967 6.4149 122.8050 51.3612 21.6400 174.2219 588 E 4.8176 7.8808 116.2148 55.4719 31.4638 174.6443 589 G 4.0691 8.4247 107.1667 44.3337 0.0000 172.9896 590 A 4.2588 8.7891 120.9263 54.3708 18.9186 178.5404 591 L 4.7899 7.6382 115.1256 55.3652 44.9384 176.9397 592 R 5.1326 7.8281 115.3208 54.3883 35.0777 174.1072 593 E 5.0190 8.8644 118.8713 54.5112 33.0784 175.1491 594 A 5.1048 8.0857 123.4855 50.2770 22.2812 174.6998 595 Y 5.0598 8.9598 119.3905 56.0729 41.7874 175.1793 596 H 4.5957 9.0503 120.6250 56.6261 30.1522 174.5081 597 T 5.0138 8.5046 117.8396 61.9061 73.4234 173.0814 598 V 4.8322 8.3801 123.1432 59.9172 34.8023 174.5772 599 S 4.8070 9.2163 118.7830 57.7394 63.6482 174.0425 600 L 4.8811 8.5688 126.1234 54.7248 42.8218 176.0356 601 G 4.1178 7.5485 106.5851 43.9312 0.0000 173.5869 602 V 4.6280 8.1366 121.1540 61.1745 34.0541 175.1032 603 G 4.2398 8.8405 113.0332 45.5225 0.0000 171.5208 604 T 4.7020 8.5110 110.7884 60.6805 70.8940 174.3595 605 D 4.9236 8.3585 118.2865 52.9392 39.7735 177.9017 606 E 3.9692 7.7200 118.7535 59.9427 29.3625 178.1456 607 N 4.2057 8.0213 114.5738 54.4865 38.7892 174.2811 608 Y 4.5274 7.5216 116.1267 55.0900 38.2425 173.6559 609 P 4.4064 0.0000 0.0000 62.5321 32.0191 177.3896 610 L 3.9908 9.1752 122.5439 57.4623 41.9646 177.7843 611 G 3.3926 7.0279 104.7663 43.4327 0.0000 174.8475 *613 T 4.2097 7.7564 114.7732 64.8956 70.4053 175.1393 614 T 3.1530 8.2076 118.5571 63.7405 67.1179 174.4378 615 K 4.5665 8.3622 116.6227 54.6254 34.8462 174.3070 616 L 4.6901 8.3566 125.3221 53.1289 44.1078 175.7078 617 F 4.3977 8.4150 127.6396 55.8230 42.1774 172.1799 618 P 2.9700 0.0000 0.0000 60.9043 31.9212 174.4594 619 P 4.3210 0.0000 0.0000 62.3959 32.2359 176.9992 620 I 3.7050 8.5655 120.4894 64.4680 37.8105 177.4005 621 E 4.0922 8.1945 118.8062 58.4729 29.8109 176.7110 622 M 4.6162 8.5905 117.6982 55.1261 32.4112 174.8447 623 I 5.1333 7.3885 119.9684 59.1770 39.4823 175.5386 624 S 4.3042 8.8931 121.2026 57.5487 62.6462 172.5046 625 P 4.4964 0.0000 0.0000 64.2930 31.6627 176.2186 626 I 4.6919 7.4056 120.0167 59.7473 40.1365 175.1841 627 S 4.7371 8.4323 116.8966 57.9043 63.8178 175.0996 628 K 4.0429 8.4040 124.4836 59.2100 32.1974 176.5576 629 N 4.9726 7.7329 115.8573 51.4037 40.1907 173.6015 630 N 4.7687 8.0863 117.7064 50.9676 39.7760 175.0858 631 E 4.2125 9.3485 119.3889 59.1526 29.4992 179.3961 632 A 3.7333 8.2649 121.4041 55.4327 18.1096 179.3660 633 M 3.9494 8.4112 116.6207 58.4072 32.0840 178.4531 634 T 4.2545 7.6449 107.6873 64.3108 70.0122 176.7788 635 Q 4.2965 8.2033 119.1806 56.9568 28.8217 176.5164 636 L 4.6308 7.4844 120.0348 53.8041 43.0065 177.0020 637 K 4.0970 7.9379 117.1010 56.0381 33.3569 175.4155 638 N 4.3892 8.5864 118.0966 55.8395 38.8853 174.6647 639 G 4.1061 8.8931 114.0837 45.5350 0.0000 174.0411 640 T 4.1311 8.0814 117.2016 63.6889 69.6229 173.5376 641 K 5.0114 8.6319 124.9857 55.3717 33.9664 175.7714 642 F 5.0226 8.6453 118.5634 56.0913 41.9692 172.5822 643 V 4.9957 9.5807 118.0583 61.2408 34.4512 174.3277 644 L 5.4408 9.0392 129.0416 53.2566 44.9917 174.9470 645 K 5.2556 9.3876 125.2365 54.6521 35.4960 175.0958 646 L 5.1423 8.5840 123.6935 52.9055 45.3490 175.7063 647 Y 4.5585 8.8803 119.9377 58.0018 39.3331 174.6876 648 K 4.4793 9.0777 125.2841 54.9421 33.2450 176.6029 649 K 4.8164 8.5520 127.0370 56.8010 33.0621 175.4204 *653 Q 4.3739 8.3643 120.2378 55.2790 30.6384 174.9045 654 Q 4.4667 7.5156 115.1852 54.6778 28.7096 174.4383 655 A 3.9718 7.7797 121.0327 53.3925 19.2538 177.6315 656 S 4.5686 7.9608 113.3546 57.2104 65.7443 174.4126 657 R 3.9823 8.6483 118.5425 60.2670 29.5044 178.3090 658 E 3.6186 7.4718 116.8984 59.4615 29.4657 179.2711 659 L 3.9431 7.8596 120.0933 58.3617 42.1423 178.7086 660 Y 4.1614 7.7046 115.9873 61.0496 37.7640 178.3517 661 F 4.1927 8.2613 118.3714 60.5488 39.1018 177.3957 662 E 4.1305 8.6327 118.3515 59.4817 29.3162 179.2314 663 D 4.4509 8.2569 118.8913 57.3750 41.0145 178.9819 664 V 3.7119 7.8971 118.4096 65.7856 31.5895 177.9648 665 K 3.6297 8.2640 119.5182 59.5796 31.9906 178.2523 666 M 4.2340 8.1340 118.4483 59.0026 32.1489 178.0577 667 Q 3.9324 8.0272 119.2711 59.3769 29.2764 178.0222 668 M 4.1207 8.0969 119.7832 58.1614 31.9396 178.8441 669 V 3.7033 7.9966 118.5835 66.3465 31.7420 177.9800 670 C 4.2250 8.0591 116.4395 62.4953 27.6689 175.9681 671 R 4.0680 7.9999 120.5619 59.5770 29.7690 178.3299 672 D 4.3698 8.0507 118.1620 57.2404 40.8091 178.7549 673 W 4.4593 8.4409 119.6491 59.7030 29.0106 178.7301 674 G 3.9069 8.7462 105.7947 48.1553 0.0000 175.5002 675 N 4.4563 8.2158 118.9035 55.7978 38.2993 177.4375 676 K 4.0275 7.9311 119.8592 59.4247 32.7329 178.3671 677 F 3.6229 8.7236 120.9381 61.3582 39.2887 176.8799 678 N 4.3416 8.5958 116.0457 56.3699 38.0923 177.1048 679 Q 4.0817 7.7412 117.8381 57.7985 28.9079 177.8107 680 K 4.0592 7.6570 118.0381 56.0042 33.3579 176.2047 681 K 3.6496 7.8731 118.1064 56.5900 29.0922 173.0447 682 P 4.5145 0.0000 0.0000 61.1915 32.9146 175.2476 683 P 4.3682 0.0000 0.0000 64.6115 31.3641 177.3743 684 K 4.5952 7.7686 116.4096 54.3050 35.0799 175.9656 685 K 4.5478 8.6233 123.4245 55.8551 33.0350 175.6497 686 I 4.6285 8.5599 115.2451 59.4169 41.0178 174.1087 687 E 4.6721 7.9900 119.7307 55.3610 33.2887 173.7649 688 F 5.0867 8.8269 125.2649 55.7186 40.7230 175.8439 689 L 4.2477 8.5843 123.0345 54.8362 42.1485 177.3751 690 M 3.9369 8.5164 121.2103 55.7825 32.4973 175.7081 691 S 4.8601 7.4674 114.3516 56.6366 66.1293 172.9511 692 W 5.5605 9.2359 123.1282 55.1004 33.8987 174.4018 693 V 4.4644 8.7301 122.6054 62.2985 32.8656 174.9977 694 V 4.9936 8.4992 126.4444 61.2139 35.0111 173.9455 695 E 4.3671 9.4039 128.6483 55.4949 30.6028 177.1796 696 L 4.5344 8.5874 129.1005 53.2546 40.1688 177.7461 697 I 3.8785 7.4510 112.8814 62.9776 38.1976 177.6934 698 D 4.5648 7.9728 119.4383 55.2027 41.2116 176.0950 699 R 4.5736 7.5230 118.8888 53.9701 31.7261 176.4876 700 S 4.2091 8.6056 118.1226 58.5636 63.2073 173.7769 701 P 4.9008 0.0000 0.0000 62.6966 31.0162 176.3291 702 S 3.9947 7.8942 113.5029 59.9365 63.3517 175.5044 *704 N 4.6909 8.6291 122.2504 52.6707 38.3388 174.9026 705 G 3.9147 8.4585 104.0453 47.0783 0.0000 174.1282 706 Q 4.2159 7.4979 119.0808 54.5257 29.3041 174.1876 707 P 4.5776 0.0000 0.0000 62.1619 32.3691 175.9083 708 I 4.0830 8.2460 122.8516 61.2450 38.0305 175.0837 709 L 5.1947 8.3788 126.3191 53.3219 45.3208 174.7666 710 C 4.1931 7.9415 114.6219 57.4432 33.6216 172.4948 711 S 5.4663 8.6822 112.8363 56.5481 66.0859 173.1043 712 I 5.5381 8.8914 114.4146 59.8144 41.5360 173.5326 713 E 5.4468 9.2311 119.4644 55.0731 33.1547 172.8735 714 P 4.9402 0.0000 0.0000 62.3946 32.5246 175.9553 715 L 4.3910 8.4988 123.6464 54.2090 42.6153 176.0597 716 L 4.3365 8.6249 126.6849 53.9746 42.4341 176.1569 717 V 4.0883 9.1567 123.9459 61.5709 32.4837 174.6323 718 G 3.7118 8.4823 113.8237 43.8901 0.0000 172.0599 719 E 4.3002 8.4758 121.4085 55.6719 29.6105 176.6519 720 F 4.4835 8.8651 128.2920 57.8687 40.2836 174.6771 721 K 4.7852 8.6950 125.1603 54.4597 36.2028 174.9156 722 K 4.6235 8.7628 125.0402 55.4347 33.0305 175.3375 723 N 4.8775 9.3753 125.5716 54.7869 40.5585 174.6636 724 N 5.5660 7.8838 113.9835 51.6074 41.5268 174.0953 725 S 5.2213 8.5250 113.9561 56.0489 65.4085 173.6702 726 N 4.8995 8.6384 116.3749 53.3636 37.0351 174.8620 727 Y 4.7360 8.0060 119.3459 57.4603 39.1136 175.6891 728 G 3.8803 8.7952 106.1158 44.5112 0.0000 174.3456 729 A 4.1681 7.8513 123.0887 51.5167 19.3159 176.6077 730 V 4.5527 8.2344 121.0684 61.2738 33.0732 175.1280 731 L 4.5475 8.6700 127.3377 54.8807 43.0550 176.1332 732 T 4.7336 7.5288 106.4896 59.7127 71.7208 173.2567 733 N 4.6493 8.5272 117.0425 53.7942 39.1006 176.3535 734 R 4.1523 7.6723 117.6312 56.3643 31.1630 177.4162 735 S 4.3942 8.7412 117.5667 61.7822 63.2285 176.8880 736 T 4.0312 8.0008 117.9258 66.5825 68.1415 174.6034 737 P 4.2273 0.0000 0.0000 65.6577 31.3671 178.6677 738 Q 4.2054 8.1725 116.2157 58.6512 28.7401 178.1637 739 A 4.2725 8.3406 122.1009 54.8679 18.4089 179.5103 740 F 3.9049 8.3656 119.3857 61.4160 38.9939 177.2843 741 S 3.7559 7.7583 114.9126 61.8585 62.6562 176.1583 742 H 4.1522 8.0913 120.4347 59.3478 29.6206 176.6310 743 F 4.0810 8.5256 122.8957 61.8250 38.9188 177.2828 744 T 2.6511 7.4767 109.0146 64.3257 68.2272 175.9192 745 Y 4.5563 7.2598 123.1012 59.8231 38.8516 177.1663 746 E 3.6676 8.0414 120.1154 59.3043 29.7082 178.4111 747 L 4.1306 7.4062 116.0634 56.0278 42.1355 177.7468 748 S 4.7075 7.6439 112.3466 57.3707 63.3151 173.9739 749 N 4.3340 8.3304 116.8563 54.8687 36.2161 174.1886 750 K 3.1093 7.3785 111.9525 57.4338 30.2585 176.9984 751 Q 4.2823 7.5954 117.8510 57.4649 29.4957 175.3163 752 M 5.0466 7.4801 114.1584 55.7121 35.3292 173.4358 753 I 4.3980 7.6310 118.1702 59.4627 41.8667 173.2079 754 V 4.3618 7.7997 129.2779 61.8702 32.5980 175.2027 755 V 4.2684 7.9027 121.3933 60.4553 36.2214 173.9662 756 D 5.0300 8.4712 114.3676 55.2591 39.3026 174.6242 757 I 3.8361 8.4106 121.0447 60.7993 37.9562 175.8582 758 Q 4.8211 7.6094 121.9511 54.4521 31.5526 175.1715 759 G 3.2592 6.5410 105.8118 45.3007 0.0000 170.7939 760 V 4.5102 7.3653 120.7864 62.2761 34.1747 176.5078 761 D 4.2565 8.1556 127.0529 56.0734 40.3209 174.1799 762 D 4.0324 8.3449 125.0247 54.5864 42.0185 173.8513 763 L 4.3870 7.6047 122.3133 53.7380 43.6931 174.7411 764 Y 5.1953 8.0554 124.3271 56.8626 41.3221 174.5619 765 T 4.9932 8.8759 114.4218 60.6945 71.2591 172.4634 766 A 3.8408 8.2985 123.9289 52.5627 16.4959 174.9954 767 P 4.9142 0.0000 0.0000 63.3537 33.1990 176.1522 768 Q 4.5773 8.7987 119.9575 54.3750 32.4060 173.4669 769 I 4.8444 8.0419 124.9999 59.0448 40.3494 174.0048 770 H 5.4156 8.4040 122.9844 54.3903 31.5134 173.7119 771 T 4.9600 8.5344 110.9013 59.1916 71.9061 173.0692 772 P 4.3888 0.0000 0.0000 65.5643 31.4860 177.4748 773 D 4.4548 8.1601 115.3269 53.4143 40.0048 177.2907 774 G 3.9421 7.6647 106.4193 45.8131 0.0000 173.2628 775 K 4.3452 9.0791 119.0523 55.6525 33.5610 177.4610 776 G 3.6566 8.4094 108.6881 45.6621 0.0000 172.2512 777 F 3.8338 8.1743 113.6505 59.5959 36.0253 176.6141 778 G 3.8082 8.0358 108.9511 46.2007 0.0000 174.2764 779 L 3.9214 8.5549 116.5940 57.5765 41.5805 178.4788 780 G 4.0030 8.0392 104.4069 44.5883 0.0000 173.1321 781 N 4.7869 7.7717 118.6490 52.8302 38.2354 174.0931 782 L 4.6097 8.8861 125.4010 53.5835 43.1515 177.9675 783 G 4.3165 8.4414 108.6080 46.2566 0.0000 176.3793 784 K 3.8410 8.8951 117.5743 59.7723 32.1570 178.5365 785 A 4.0982 8.0513 120.3681 55.1419 18.3733 179.8114 786 G 3.2493 7.9691 103.8415 47.6334 0.0000 175.9504 787 I 3.5028 7.4072 121.7056 64.3242 37.1983 178.0150 788 N 4.2082 8.0803 117.0562 56.4368 38.1501 177.5566 789 K 3.7252 7.4281 118.0849 59.2229 31.9289 178.7309 790 F 4.1149 7.9704 120.7964 61.4100 38.7440 177.1649 791 I 3.5856 7.6738 119.2734 64.6226 36.6372 178.3677 792 T 3.8074 7.5799 115.6829 66.4568 68.4423 175.7918 793 T 4.2303 6.9141 106.6632 60.8586 69.6469 174.1622 794 H 4.0395 6.8800 122.0625 55.5508 30.3453 174.3162 795 K 4.3436 7.9723 125.9051 54.1422 34.0097 175.8919 796 C 4.3899 8.4914 119.2044 58.1971 30.6487 172.7115 797 N 5.0867 8.2352 116.7463 50.8925 39.9432 174.3676 798 A 4.1107 8.5436 117.8915 55.1829 18.3994 179.9927 799 V 3.6868 8.2781 117.3755 66.0651 31.7065 177.6697 800 C 4.1339 8.6011 115.8442 63.0527 27.9300 176.0430 801 A 4.0207 8.0078 121.5409 55.1046 17.8616 179.3623 802 L 3.9429 7.7781 116.3490 58.1134 41.8733 179.2087 803 L 4.2882 7.7348 115.2403 54.5799 41.8737 176.7698 804 D 4.5835 7.8737 117.8042 55.2122 38.5383 174.3706 805 L 4.4167 7.6986 118.2297 54.1767 42.3622 176.4117 806 D 4.5539 9.0052 121.7153 53.4587 41.6955 176.9310 807 V 3.8906 8.3931 125.9094 62.0046 31.9973 176.1768 808 K 4.2042 8.4413 119.1404 56.7199 32.4538 176.2383 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 3.89 1.87 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 1.33 1.36 0.92 0.00 0.00 *555 E 8.15 4.07 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 556 T 8.38 4.14 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 7.87 4.06 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 0.00 0.00 0.00 558 E 8.59 4.92 0.00 2.07 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 2.33 2.25 0.00 559 M 8.96 4.82 0.00 1.88 2.17 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.67 0.00 560 G 8.91 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 561 I 8.18 4.64 1.88 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 0.68 0.44 0.75 0.00 0.00 562 L 8.47 5.20 0.00 1.67 1.40 0.75 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 563 W 9.85 5.52 0.00 3.42 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 564 E 9.76 5.28 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 2.30 2.31 0.00 565 F 8.80 4.54 0.00 1.51 2.39 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 0.00 566 D 7.26 4.37 0.00 2.53 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 0.00 0.00 0.00 0.00 567 P 0.00 4.00 0.00 2.24 2.16 0.00 3.48 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 568 I 7.39 3.64 1.80 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 0.90 0.00 0.00 569 I 7.49 4.04 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.68 0.85 0.00 0.00 570 N 7.56 4.06 0.00 2.83 2.87 0.00 0.00 6.90 6.70 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 0.00 571 K 6.99 4.97 0.00 1.64 1.68 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.57 7.81 572 W 9.32 5.31 0.00 3.65 3.71 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 I 9.56 4.76 2.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 744 T 7.48 2.65 2.85 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 0.19 0.00 0.00 745 Y 7.26 4.56 0.00 2.77 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 0.00 746 E 8.04 3.67 0.00 2.05 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 0.00 2.19 2.25 0.00 747 L 7.41 4.13 0.00 1.35 1.64 0.43 0.61 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 0.00 748 S 7.64 4.71 0.00 4.14 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 0.00 749 N 8.33 4.33 0.00 2.86 2.87 0.00 0.00 6.94 7.64 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 0.00 750 K 7.38 3.11 0.00 1.74 1.33 0.00 0.61 0.00 0.00 0.94 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.05 1.30 7.81 751 Q 7.60 4.28 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.70 0.00 0.00 0.00 0.00 0.00 2.53 2.45 0.00 752 M 7.48 5.05 0.00 1.95 1.91 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 753 I 7.63 4.40 1.66 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.91 0.69 0.00 0.00 754 V 7.80 4.36 1.84 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 0.83 0.00 0.00 0.53 0.00 0.00 755 V 7.90 4.27 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 0.30 0.00 0.00 0.80 0.00 0.00 756 D 8.47 5.03 0.00 2.91 2.69 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 0.00 0.00 0.00 757 I 8.41 3.84 1.64 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.80 -0.19 0.00 0.00 758 Q 7.61 4.82 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.98 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 759 G 6.54 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 7.37 4.51 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 1.03 0.00 0.00 0.93 0.00 0.00 761 D 8.16 4.26 0.00 2.68 1.64 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 0.00 762 D 8.34 4.03 0.00 2.33 2.23 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 0.00 763 L 7.60 4.39 0.00 1.50 1.42 0.86 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 764 Y 8.06 5.20 0.00 1.57 2.40 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 0.00 765 T 8.88 4.99 4.40 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 1.55 0.00 0.00 766 A 8.30 3.84 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 767 P 0.00 4.91 0.00 2.02 2.29 0.00 3.98 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 1.95 1.79 0.00 768 Q 8.80 4.58 0.00 2.16 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.23 0.00 769 I 8.04 4.84 1.11 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.67 0.19 0.00 0.00 770 H 8.40 5.42 0.00 3.03 3.29 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 8.53 4.96 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 772 P 0.00 4.39 0.00 2.10 2.20 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 773 D 8.16 4.45 0.00 2.78 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 0.00 774 G 7.66 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 0.00 0.00 0.00 775 K 9.08 4.35 0.00 1.82 1.72 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.37 7.81 776 G 8.41 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 8.17 3.83 0.00 3.25 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 0.00 778 G 8.04 3.81 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 0.00 0.00 0.00 779 L 8.55 3.92 0.00 1.65 1.71 0.78 0.68 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 0.00 780 G 8.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.77 4.79 0.00 2.81 2.87 0.00 0.00 7.08 8.23 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 0.00 782 L 8.89 4.61 0.00 1.72 1.71 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 783 G 8.44 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 0.00 0.00 0.00 0.00 784 K 8.90 3.84 0.00 1.82 1.90 0.00 1.69 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.75 7.81 785 A 8.05 4.10 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 3.25 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 0.00 0.00 0.00 787 I 7.41 3.50 1.95 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 0.57 0.60 0.00 0.00 788 N 8.08 4.21 0.00 2.79 2.80 0.00 0.00 7.12 6.98 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 0.00 789 K 7.43 3.73 0.00 1.45 1.51 0.00 1.24 0.00 0.00 1.31 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.04 0.21 7.81 790 F 7.97 4.11 0.00 3.06 3.04 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 0.00 0.00 0.00 791 I 7.67 3.59 1.92 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 1.45 0.92 0.86 0.00 0.00 792 T 7.58 3.81 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 1.12 0.00 0.00 793 T 6.91 4.23 4.10 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 1.15 0.00 0.00 794 H 6.88 4.04 0.00 2.03 2.81 0.00 5.89 0.00 0.00 0.00 0.00 6.87 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 4.34 0.00 1.63 1.61 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.23 1.26 7.81 796 C 8.49 4.39 0.00 3.18 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 0.00 797 N 8.24 5.09 0.00 2.95 2.98 0.00 0.00 5.88 7.98 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 0.00 798 A 8.54 4.11 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 8.28 3.69 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 1.19 0.00 0.00 1.01 0.00 0.00 800 C 8.60 4.13 0.00 3.33 3.12 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 0.00 801 A 8.01 4.02 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 7.78 3.94 0.00 1.77 1.77 1.02 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 803 L 7.73 4.29 0.00 1.89 1.85 0.98 0.85 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 0.00 804 D 7.87 4.58 0.00 2.89 2.85 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 0.00 805 L 7.70 4.42 0.00 1.65 1.54 0.98 1.10 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 0.00 806 D 9.01 4.55 0.00 2.64 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 807 V 8.39 3.89 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 0.81 0.00 0.00 0.95 0.00 0.00 808 K 8.44 4.20 0.00 1.73 1.70 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.