NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 516 G 3.9748 8.3549 109.7390 45.1634 0.0000 175.8121 517 D 4.2889 8.9219 123.6366 55.1167 40.7287 175.3098 518 S 4.9230 7.8148 112.3813 57.9624 64.8886 173.3252 519 F 5.0631 7.6093 114.8989 55.8083 41.9155 172.3859 520 Y 5.2292 8.9543 116.6153 56.3483 40.7228 174.8741 521 I 5.2693 8.7508 115.4580 59.1856 41.8916 173.8220 522 R 5.0146 8.9634 123.7305 54.6497 32.7375 174.9986 523 T 4.6814 8.4864 116.6373 61.4645 70.5332 174.3747 524 H 5.2357 8.9224 120.0251 55.2440 30.4635 173.0723 525 F 5.1191 7.9779 111.3988 55.3349 40.9648 173.2302 526 E 4.6502 8.3729 122.0044 56.1171 30.5723 175.0690 527 Y 4.8467 8.5927 125.9531 56.0493 42.7291 172.8418 528 E 4.2935 7.7923 126.9256 53.4073 31.6997 175.4898 529 K 3.9251 7.8850 126.4461 56.4119 33.0126 176.6251 530 E 4.5058 8.8652 119.3134 55.8338 30.5287 175.3271 531 S 4.6877 7.5959 114.2746 55.7444 65.1138 172.7897 532 P 4.2105 0.0000 0.0000 64.9259 31.3658 176.3664 533 Y 4.6314 7.6721 116.6455 57.9811 38.1727 175.5099 534 G 4.6797 7.7952 108.4655 45.0569 0.0000 173.2578 535 L 5.0315 8.2971 118.7071 52.7549 44.3821 177.5381 536 S 4.3603 8.8321 120.1530 58.6856 63.8811 173.4367 537 F 5.2786 8.0836 115.8747 55.8525 41.5365 173.7665 538 N 5.2091 10.2767 119.7468 52.1709 39.9957 175.0522 539 K 4.0048 8.3507 119.1544 57.8337 32.4637 178.5002 540 G 3.8327 8.9687 111.5337 45.3393 0.0000 173.8901 541 E 4.0506 7.6518 119.6982 56.2010 30.9601 175.9587 542 V 4.4574 7.8044 122.6910 61.5804 34.0145 174.4800 543 F 5.0315 8.5711 124.0448 55.6949 43.6405 173.7995 544 R 3.8010 8.7129 124.3807 55.3415 31.0492 175.6916 545 V 3.8540 8.2292 128.8704 62.5241 31.3787 176.3698 546 V 3.7949 8.5361 129.4333 64.4731 32.6780 175.7685 547 D 4.4867 7.3813 118.1655 53.5781 44.2555 176.1389 548 T 3.7907 8.6957 115.4898 61.8072 69.3240 173.4320 549 L 3.3734 9.6849 119.7490 57.0713 39.4189 173.3295 550 Y 3.8414 8.6140 126.1483 58.9425 37.2656 169.7606 551 N 4.3086 9.0587 108.3431 54.5618 36.6276 176.2257 552 G 4.2220 8.9408 105.4060 45.8435 0.0000 176.4244 553 K 4.2088 8.0738 119.0784 58.4183 32.0597 177.6610 554 L 4.4862 8.1039 117.3629 54.2327 41.8737 177.4766 555 G 3.9734 8.8969 109.4039 45.1895 0.0000 173.4176 556 S 5.2847 7.6974 113.6186 56.4731 66.7358 173.1976 557 W 5.2550 9.1283 120.8024 54.9051 33.4012 174.3677 558 L 4.9288 9.3187 124.9145 54.3092 42.8142 175.4071 559 A 5.2374 9.4013 127.6868 50.1835 23.3592 174.2926 560 I 5.0043 8.4985 120.0380 59.2099 40.3623 175.3594 561 R 3.5780 9.3021 128.5731 56.2024 31.0920 175.0769 562 I 4.5546 7.6999 127.7288 60.3268 38.6996 176.1824 563 G 4.1343 9.5631 115.9838 44.2739 0.0000 173.0724 564 K 4.3153 8.5306 118.6346 57.7995 33.1627 175.6836 565 N 3.9379 9.1878 116.4793 55.0979 37.3199 173.8492 566 H 4.5899 7.7847 109.0300 56.0172 27.1158 175.0898 567 K 4.3741 7.3531 116.7890 55.6698 33.8335 175.9736 568 E 4.6499 8.5744 120.8641 56.2895 28.9768 176.5685 569 V 4.0216 8.5749 124.8603 64.4411 32.0838 175.4951 570 E 4.8281 7.9822 120.4533 54.1739 33.2881 173.4235 571 R 5.0688 8.2583 125.4142 54.7093 32.9689 174.6551 572 G 4.2355 8.6236 111.7474 46.0220 0.0000 171.7335 573 I 5.0660 8.1968 113.8890 60.0871 39.5218 175.1946 574 I 5.0606 8.7034 117.8953 58.1127 41.3059 172.8006 575 P 4.7081 0.0000 0.0000 62.3068 32.1123 177.2210 576 N 3.1400 8.4009 121.0291 51.2186 39.8184 176.0243 577 K 3.6008 7.3817 119.6845 59.6473 32.1835 178.1488 578 N 4.1990 8.0829 116.0175 56.5918 38.5842 177.5334 579 R 3.7757 7.6973 118.5263 58.8325 30.1548 178.7140 580 A 3.2763 7.8305 121.0151 55.1372 18.0525 179.3536 581 E 3.6534 7.7261 115.7859 59.6056 29.9112 179.3769 582 Q 3.9592 7.8471 119.3618 59.1110 28.9554 178.1696 583 L 3.9102 7.7957 118.8980 57.1357 41.6512 178.5916 584 A 4.0960 7.0942 118.7808 53.4079 18.7033 178.5721 585 S 4.1673 7.5196 112.6325 60.5328 63.2559 175.6038 586 V 3.9421 7.6552 119.0458 64.0320 31.9899 175.9287 587 Q 4.5082 7.8146 117.2914 55.0452 29.6160 175.3321 588 Y 4.0864 8.8578 116.9141 58.3290 37.6955 176.1208 *626 V 3.3972 7.4711 119.5587 62.7148 31.1351 174.6951 627 Q 4.0679 7.8499 127.9507 56.0507 27.5190 174.5891 628 T 4.6177 7.7669 117.6371 60.3120 70.3839 173.8273 629 K 4.0628 8.3261 126.7648 57.1005 32.5372 177.3549 630 F 4.4593 7.4873 118.1792 56.4852 39.3782 173.5464 631 P 4.5589 0.0000 0.0000 62.3065 32.2744 176.7663 632 A 4.3823 8.8403 121.8667 55.2507 19.1631 176.8615 633 Y 5.5053 8.0093 111.8226 56.5293 39.9872 174.7375 634 E 4.7860 9.4037 126.4238 54.4961 31.8515 175.3444 635 R 4.8181 8.8210 126.5232 56.6154 31.2138 175.9588 636 V 5.3320 8.6722 122.5070 60.4285 34.9306 174.7228 637 V 4.7937 9.5253 121.1514 60.1985 35.0741 174.2016 638 L 4.0063 8.0805 122.6191 54.4996 42.4725 176.2437 639 R 4.5312 8.2402 121.9137 54.7112 33.9610 174.0129 640 E 4.3298 8.6265 124.6487 55.7926 30.4707 176.6942 641 A 3.8072 8.4767 126.8413 52.5944 18.7010 177.4233 642 G 4.0474 8.4232 111.9312 44.7796 0.0000 172.5907 643 F 4.5229 6.8085 112.7533 55.7571 39.7200 173.3194 644 L 4.0539 8.5842 121.6135 54.2387 41.3303 177.3439 645 R 4.5335 8.6454 124.3930 54.9942 30.7747 175.3050 646 P 4.7212 0.0000 0.0000 63.4010 32.8583 174.9799 647 V 4.8737 9.5078 121.9465 61.5843 34.4304 174.1306 648 T 4.7506 9.1577 124.9672 61.7432 71.0171 173.2208 649 I 4.8298 8.0560 126.5580 59.4541 39.7340 174.9352 650 F 5.0448 9.0775 125.4028 56.3345 42.9090 174.0582 651 G 4.2038 9.2147 106.3509 43.2150 0.0000 173.0289 652 P 4.5068 0.0000 0.0000 64.2570 31.4021 176.8562 653 I 4.4594 7.2272 111.6613 59.8496 38.4754 177.0063 654 A 3.8953 8.0739 126.4889 55.5686 17.9706 180.3207 655 D 4.2211 7.9327 117.4730 56.6479 39.5891 178.5457 656 V 3.5514 7.8162 119.5789 65.5151 31.4225 177.2695 657 A 4.3640 8.1343 120.4279 55.6003 18.2309 179.7303 658 R 3.8314 8.1328 116.2038 59.5395 30.1972 179.2518 659 E 3.9561 8.2180 118.1681 59.2419 29.4531 179.3204 660 K 3.8686 8.3360 119.9022 59.5215 32.2041 178.8272 661 L 4.0537 8.0160 119.0257 57.8847 41.2916 179.4496 662 A 4.1475 7.8349 119.4799 54.7341 18.3417 179.5108 663 R 4.0182 7.8986 116.8522 59.5903 30.3834 177.9621 664 E 4.3726 8.2802 116.3743 56.9819 31.4142 176.5972 665 E 4.8682 8.3362 117.9405 54.3239 29.6198 175.2037 666 P 4.6492 0.0000 0.0000 65.2391 32.0556 178.0038 667 D 4.5431 8.0639 117.7462 56.0352 41.5063 176.8522 668 I 4.0939 7.5881 119.0575 62.0034 39.2098 175.3271 669 Y 5.3811 8.0744 117.7223 56.2250 41.3490 175.5169 670 Q 4.6015 8.9614 123.3018 54.4479 33.0628 173.7553 671 I 4.4231 8.5841 127.3576 61.2343 37.7212 175.5858 672 A 4.2305 8.7373 130.6420 51.2080 18.7825 177.3287 673 K 4.0383 8.8336 124.3512 56.4689 33.0388 175.8941 674 S 4.9453 8.2270 119.0382 56.4048 65.6891 173.4149 675 E 4.2960 9.5086 122.2235 55.3572 30.0990 175.1674 676 P 4.3108 0.0000 0.0000 62.8391 32.0105 176.3691 677 R 3.9651 8.5960 123.8727 56.4480 31.0792 175.3738 678 D 4.5306 8.5457 124.2690 52.7665 41.7863 175.2995 679 A 3.9151 8.5711 127.3501 55.6118 18.2361 177.1905 680 G 4.0881 9.3428 113.0402 46.6229 0.0000 172.0983 681 T 4.6933 7.0149 108.8798 59.3145 71.7355 172.7178 682 D 4.6732 8.3775 120.8850 54.3556 41.5676 176.3563 683 Q 4.2393 8.2702 118.3162 56.4161 28.2125 177.3043 *687 G 3.8402 7.9858 102.5669 45.1529 0.0000 174.9518 688 I 3.7002 7.9023 113.8951 63.2372 37.6225 175.3209 689 I 4.7186 7.3810 122.9208 58.9350 37.5510 176.7708 690 R 4.1079 8.2547 124.6374 55.7116 32.0726 177.7053 691 L 3.2973 8.1571 121.3419 57.9419 41.6547 179.2107 692 H 4.1103 8.1868 117.7366 59.6616 29.3996 176.9695 693 T 3.9009 8.0005 116.8724 66.9721 68.2449 176.3193 694 I 3.8769 7.3037 121.0747 64.3515 37.0457 178.6242 695 K 4.1019 8.2585 119.3804 59.6195 31.6551 179.2710 696 Q 3.9702 7.9274 117.3047 59.0935 28.9259 178.8654 697 I 3.9627 7.5114 119.3777 64.3272 37.1401 178.3179 698 I 3.7819 8.2041 121.1031 64.6892 36.7847 177.9307 699 D 4.5535 8.2519 117.6509 56.0762 40.6615 176.9084 700 Q 4.3403 7.6879 118.0048 54.9927 29.0763 175.2049 701 D 4.3615 7.6938 115.6934 55.3723 39.8834 172.9626 702 K 4.7888 7.4658 115.0861 54.8627 37.2239 177.1116 703 H 4.6385 9.0679 120.1601 55.1726 30.0565 174.7115 704 A 4.6606 8.7944 126.1592 51.8182 19.6615 176.0161 705 L 4.8108 9.2486 124.4083 54.3938 43.0687 175.9731 706 L 4.7706 8.7662 124.9305 53.1246 43.5582 176.8131 707 D 4.5714 8.7734 124.5190 52.6990 39.8623 174.9619 708 V 4.5899 7.5398 116.9020 58.7872 36.2980 175.2008 709 T 4.6863 8.1222 113.8231 60.3898 70.0100 173.0493 710 P 4.3120 0.0000 0.0000 66.1383 31.3839 178.6599 711 N 4.3743 8.2667 114.2846 56.2002 38.4531 177.0386 712 A 4.0243 8.0737 121.7565 55.0657 18.5243 179.5582 713 V 3.5896 7.9525 116.6541 66.2737 31.6941 177.3288 714 D 4.5846 8.1606 117.8056 57.9866 41.0066 179.0159 715 R 4.0117 8.2098 118.0461 59.2478 29.9460 179.1153 716 L 4.0053 8.5027 119.2529 57.7396 41.6942 179.1809 717 N 4.1302 8.9300 116.8483 56.6182 38.3549 176.8010 718 Y 3.9730 8.1651 119.3706 60.3040 38.8980 176.9690 719 A 4.2787 7.9403 118.7448 51.7447 18.6389 177.1544 720 Q 3.1178 7.4349 115.4493 57.1566 26.4434 174.5714 721 W 4.3683 8.2342 117.9367 57.7329 29.9894 177.4907 722 Y 4.2092 7.1272 110.8589 57.9493 33.8150 170.1713 723 P 4.8397 0.0000 0.0000 62.7644 33.1191 176.9322 724 I 4.1332 8.8445 123.0582 61.1199 38.4775 175.1041 725 V 4.8503 8.6810 127.6046 61.3851 33.6124 173.9582 726 V 4.7460 8.8271 129.4196 61.2497 33.6040 174.0293 727 F 5.0748 8.7763 130.3968 56.6222 41.1682 174.1835 728 L 4.5623 8.0155 127.0077 53.1147 42.6740 175.4839 729 N 4.2023 8.7713 124.8867 51.2878 40.1285 172.8605 730 P 4.6915 0.0000 0.0000 62.2702 32.4127 176.1726 731 D 4.4958 8.8217 120.9269 56.1804 39.9473 176.0916 732 S 4.2794 7.5001 112.8282 55.3127 66.6362 175.2997 733 K 3.1224 7.3298 122.3437 59.5727 31.7274 178.3431 734 Q 3.9926 7.9200 117.7292 59.0219 28.5626 178.9562 735 G 3.8061 7.6262 107.3336 47.1014 0.0000 175.7767 736 V 3.5022 7.6169 120.4943 65.4727 31.6209 177.6672 737 K 3.7833 8.0243 119.4469 60.0323 31.8234 178.5131 738 T 3.8307 8.2089 115.9384 67.1065 68.3514 176.4327 739 M 4.0751 8.3138 120.7410 58.5920 31.8721 179.1561 740 R 3.9081 8.2887 118.3757 59.2978 29.9626 178.9971 741 M 4.0460 7.8346 117.9189 58.4279 32.0439 178.4784 742 R 4.0574 7.6624 117.7023 58.8550 30.3871 177.6744 743 L 4.5490 8.0554 117.4342 55.4106 44.0755 177.2575 744 C 4.8377 8.2623 113.7467 56.5642 30.2178 173.0115 745 P 4.3865 0.0000 0.0000 65.8094 31.6989 178.4118 746 E 4.0965 8.0538 117.8061 58.4024 29.8257 177.2014 747 S 4.1370 7.6950 113.8200 58.6746 62.6235 174.1324 748 R 4.3269 8.4220 122.5197 56.5347 30.2085 176.9661 749 K 4.0955 7.4866 118.6820 56.4748 32.7607 176.7027 750 S 4.4994 8.4603 115.8793 57.2062 63.8030 174.8838 751 A 3.9862 8.5934 131.1536 55.2243 18.2308 179.3076 752 R 3.8692 7.9700 116.6313 59.5330 30.1483 178.2088 753 K 3.8884 7.9756 119.2667 59.8385 32.1649 178.6641 754 L 4.0371 8.2067 119.1326 57.7690 41.5449 178.9407 755 Y 4.1110 8.4936 119.9584 60.8712 38.8411 177.8022 756 E 3.9406 8.7528 119.9983 59.3525 29.4428 179.3998 757 R 3.9298 8.3761 119.1317 59.5145 30.0428 178.7324 758 S 4.3115 8.1868 115.0582 61.7665 62.7844 176.2098 759 H 3.9567 8.0109 120.8215 59.0220 29.6583 177.0182 760 K 3.8440 8.0225 121.4270 59.5938 31.9549 178.4938 761 L 3.8136 8.1129 119.2944 57.9056 41.3908 179.4138 762 R 3.6607 7.9882 117.4078 59.2271 29.9909 178.1714 763 K 4.0172 7.7561 118.2633 59.2593 32.4543 177.9829 764 N 4.7505 7.9449 113.9350 53.8872 39.2818 175.5037 765 N 4.7821 7.8106 115.5484 52.4443 41.0082 175.7160 766 H 2.5800 7.8207 116.4444 58.0322 28.4485 176.8910 767 H 4.0836 7.3467 113.9017 57.2070 28.2646 175.7631 768 L 4.3127 6.9117 119.2045 55.6543 42.1770 177.1981 769 F 4.8075 7.5029 118.3816 58.1881 39.2425 175.3657 770 T 4.4407 9.1419 122.0500 65.9911 69.3618 174.8047 771 T 4.5306 7.5767 112.9345 61.6540 70.8291 172.1019 772 T 5.1470 8.5781 121.6144 61.8839 72.3840 173.2110 773 I 4.5225 8.6496 126.9573 59.4588 39.9778 174.5272 774 N 4.9268 8.7555 124.8143 52.7769 39.3207 174.7982 775 L 4.2529 9.1601 125.8287 54.3206 42.9884 176.1431 776 N 4.7557 8.7809 122.7009 51.7365 39.2688 175.5480 777 S 4.3183 8.4144 121.5801 60.9234 63.3550 175.7216 778 M 4.2249 8.8970 121.5475 57.7946 31.7902 175.6307 779 N 5.1371 7.9899 113.4217 51.8336 40.7172 173.3333 780 D 5.0592 8.4674 115.4937 54.3130 41.5550 179.3392 781 G 3.6383 8.1878 109.1940 47.3017 0.0000 175.7328 782 W 4.3318 8.2489 118.6788 59.7013 27.8157 177.7383 783 Y 3.4544 6.4346 120.3735 60.2771 38.2513 177.6987 784 G 3.4872 7.8304 105.8932 47.9636 0.0000 175.1090 785 A 4.0579 7.7733 122.1691 54.2319 18.3486 179.6099 786 L 3.8721 7.7548 119.3497 58.3493 41.9628 179.2627 787 K 3.8863 7.6041 118.4193 59.4699 31.9012 179.2818 788 E 3.9371 8.0214 118.1555 59.1800 29.3769 179.0257 789 A 4.0179 7.9636 120.8616 55.3371 18.3631 179.8400 790 I 3.6750 7.7438 118.1730 64.3927 36.9711 178.3549 791 Q 3.9398 7.5257 118.9685 59.3197 29.2889 178.0090 792 Q 4.1418 8.4365 119.2752 59.1954 28.8091 178.9524 793 Q 3.9832 8.4082 119.1958 59.2617 28.6169 178.9551 794 Q 4.0164 8.2680 119.1740 58.7481 29.0725 177.2168 795 N 4.6374 7.6239 114.6377 52.5242 39.3391 175.2039 796 Q 4.2883 7.2389 120.0962 54.9195 29.7907 175.8871 797 L 4.1359 8.1545 120.5423 54.9975 42.6761 176.4787 798 V 4.2155 8.5918 121.6893 60.7134 34.3024 174.7236 799 W 4.7655 8.4751 127.3037 56.4819 29.5042 175.7277 800 V 4.4283 9.1690 125.7197 60.5082 34.5241 174.9359 801 S 4.7886 8.6426 121.6105 59.0431 63.1233 174.2471 802 E 4.1442 8.8552 125.7893 56.6674 30.6791 176.9203 803 G 4.0714 8.6573 110.8657 45.8073 0.0000 173.4531 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 516 G 8.35 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 0.00 517 D 8.92 4.29 0.00 2.71 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 0.00 518 S 7.81 4.92 0.00 3.55 3.68 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 0.00 519 F 7.61 5.06 0.00 3.13 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 0.00 520 Y 8.95 5.23 0.00 3.17 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 0.00 521 I 8.75 5.27 1.84 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.59 1.18 0.00 0.00 522 R 8.96 5.01 0.00 1.79 1.93 0.00 3.19 0.00 0.00 3.02 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.36 0.00 523 T 8.49 4.68 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 0.22 0.00 0.00 524 H 8.92 5.24 0.00 3.32 3.36 0.00 5.62 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 0.00 525 F 7.98 5.12 0.00 3.03 2.97 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 0.00 526 E 8.37 4.65 0.00 2.25 1.94 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 2.28 2.27 0.00 527 Y 8.59 4.85 0.00 2.91 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 528 E 7.79 4.29 0.00 1.72 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.05 0.00 529 K 7.89 3.93 0.00 1.90 1.71 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.11 7.81 530 E 8.87 4.51 0.00 2.04 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 2.20 2.22 0.00 531 S 7.60 4.69 0.00 3.86 3.74 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 0.00 532 P 0.00 4.21 0.00 1.71 1.92 0.00 3.56 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.65 0.00 533 Y 7.67 4.63 0.00 3.13 2.99 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 0.00 0.00 0.00 534 G 7.80 4.68 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 0.00 0.00 0.00 535 L 8.30 5.03 0.00 1.77 1.81 1.36 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 536 S 8.83 4.36 0.00 3.69 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 537 F 8.08 5.28 0.00 3.31 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 538 N 10.28 5.21 0.00 2.66 2.84 0.00 0.00 6.98 7.49 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 0.00 539 K 8.35 4.00 0.00 1.33 1.57 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.46 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.37 7.81 540 G 8.97 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 0.00 541 E 7.65 4.05 0.00 1.94 1.60 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 2.35 2.32 0.00 542 V 7.80 4.46 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.28 0.00 0.00 543 F 8.57 5.03 0.00 2.77 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 0.00 544 R 8.71 3.80 0.00 1.74 1.62 0.00 3.15 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.12 0.00 0.00 648 T 9.16 4.75 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 0.68 0.00 0.00 649 I 8.06 4.83 1.77 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 0.54 0.85 0.00 0.00 650 F 9.08 5.04 0.00 3.14 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 0.00 651 G 9.21 4.20 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 0.00 0.00 0.00 652 P 0.00 4.51 0.00 2.17 2.24 0.00 3.62 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.97 0.00 653 I 7.23 4.46 1.47 0.00 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.16 0.67 0.00 0.00 654 A 8.07 3.90 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 0.00 655 D 7.93 4.22 0.00 2.91 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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2.00 2.24 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.54 0.00 742 R 7.66 4.06 0.00 1.77 2.11 0.00 3.27 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 743 L 8.06 4.55 0.00 1.73 1.75 1.14 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 744 C 8.26 4.84 0.00 3.02 3.02 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 0.00 745 P 0.00 4.39 0.00 2.20 2.35 0.00 3.76 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 746 E 8.05 4.10 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 747 S 7.69 4.14 0.00 3.86 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 0.00 748 R 8.42 4.33 0.00 1.94 2.03 0.00 3.15 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 749 K 7.49 4.10 0.00 1.73 1.80 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.39 7.81 750 S 8.46 4.50 0.00 3.89 3.74 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 0.00 751 A 8.59 3.99 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 0.00 752 R 7.97 3.87 0.00 1.91 1.97 0.00 3.22 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.75 0.00 753 K 7.98 3.89 0.00 1.91 1.99 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.53 7.81 754 L 8.21 4.04 0.00 1.93 1.74 1.00 0.67 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 0.00 755 Y 8.49 4.11 0.00 3.11 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 756 E 8.75 3.94 0.00 2.05 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 2.41 2.68 0.00 757 R 8.38 3.93 0.00 2.04 2.11 0.00 3.17 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 758 S 8.19 4.31 0.00 4.04 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 0.00 759 H 8.01 3.96 0.00 2.94 3.30 0.00 5.60 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 0.00 760 K 8.02 3.84 0.00 1.85 2.00 0.00 1.69 0.00 0.00 1.60 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.60 1.64 7.81 761 L 8.11 3.81 0.00 1.89 1.63 1.01 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 762 R 7.99 3.66 0.00 1.67 1.86 0.00 3.37 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 1.59 1.61 0.00 763 K 7.76 4.02 0.00 1.75 1.98 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.46 7.81 764 N 7.94 4.75 0.00 2.70 2.84 0.00 0.00 6.87 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 0.00 765 N 7.81 4.78 0.00 2.66 2.35 0.00 0.00 6.56 8.31 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 0.00 766 H 7.82 2.58 0.00 3.02 3.51 0.00 5.46 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 767 H 7.35 4.08 0.00 3.32 3.19 0.00 5.71 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 0.00 768 L 6.91 4.31 0.00 1.60 1.84 0.91 0.76 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 0.00 769 F 7.50 4.81 0.00 3.15 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 0.00 770 T 9.14 4.44 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 1.29 0.00 0.00 771 T 7.58 4.53 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 772 T 8.58 5.15 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 1.41 0.00 0.00 773 I 8.65 4.52 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.88 0.98 0.00 0.00 774 N 8.76 4.93 0.00 2.63 2.77 0.00 0.00 7.16 7.85 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 0.00 775 L 9.16 4.25 0.00 1.54 1.53 0.73 0.69 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 0.00 776 N 8.78 4.76 0.00 2.76 2.77 0.00 0.00 6.97 7.24 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 0.00 777 S 8.41 4.32 0.00 4.10 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 778 M 8.90 4.22 0.00 2.00 2.33 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.74 0.00 779 N 7.99 5.14 0.00 2.83 2.78 0.00 0.00 6.92 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 780 D 8.47 5.06 0.00 2.68 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 781 G 8.19 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 0.00 782 W 8.25 4.33 0.00 3.63 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 783 Y 6.43 3.45 0.00 1.43 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 784 G 7.83 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 785 A 7.77 4.06 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 786 L 7.75 3.87 0.00 2.06 1.75 0.94 0.37 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 0.00 787 K 7.60 3.89 0.00 1.74 1.72 0.00 1.56 0.00 0.00 1.36 0.00 0.00 2.13 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.23 0.91 7.81 788 E 8.02 3.94 0.00 1.95 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 2.27 2.43 0.00 789 A 7.96 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 0.00 790 I 7.74 3.67 1.93 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 1.42 0.77 0.91 0.00 0.00 791 Q 7.53 3.94 0.00 2.01 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 792 Q 8.44 4.14 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.55 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 793 Q 8.41 3.98 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 794 Q 8.27 4.02 0.00 2.09 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 795 N 7.62 4.64 0.00 2.88 2.80 0.00 0.00 7.03 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 796 Q 7.24 4.29 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.90 0.00 0.00 0.00 0.00 0.00 2.57 2.46 0.00 797 L 8.15 4.14 0.00 1.10 1.21 0.70 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 798 V 8.59 4.22 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 0.63 0.00 0.00 0.79 0.00 0.00 799 W 8.48 4.77 0.00 3.10 3.02 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 0.00 800 V 9.17 4.43 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.81 0.00 0.00 801 S 8.64 4.79 0.00 4.04 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 0.00 802 E 8.86 4.14 0.00 2.12 1.93 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 2.38 2.35 0.00 803 G 8.66 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.