NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 609 E 4.2263 8.4449 121.4652 54.0177 31.9821 174.7350 610 I 4.1545 7.9968 121.2960 58.0468 39.2833 174.1975 611 D 4.0192 8.4790 125.3153 54.4412 42.4106 177.2088 612 V 3.5586 8.2697 126.1676 65.6384 31.8343 177.8204 613 S 4.2803 7.8980 113.6944 60.8042 62.9072 174.6469 614 Y 4.6246 8.1245 118.4103 58.7751 38.1134 174.5202 615 V 4.7943 7.6084 120.3534 60.7728 33.6697 174.5490 616 K 4.5018 9.0044 129.7616 54.5797 34.3456 174.9567 617 I 4.1905 8.4214 129.3605 61.4202 37.4366 175.3976 618 E 4.6165 8.6779 130.9120 56.8897 32.3234 174.7158 619 E 3.6211 7.9944 119.9765 52.9418 31.8759 177.6481 620 V 4.2519 8.4202 127.6556 62.6920 31.6732 175.2473 621 I 4.4449 8.8000 121.3293 61.5320 40.0184 175.0403 622 G 4.2999 7.7826 107.9418 45.3643 0.0000 171.1725 623 A 5.1237 8.6246 120.7049 50.2036 21.6374 176.1463 624 G 4.3629 9.1247 112.5398 43.5835 0.0000 172.2776 625 E 3.8808 8.9818 118.8483 58.6242 29.5919 178.1784 626 F 4.7646 8.5875 113.7055 56.3819 40.8651 176.5457 627 G 4.0844 7.1758 106.6279 45.8796 0.0000 171.6865 628 E 4.6700 8.0733 119.9857 56.2477 31.4524 175.9616 629 V 4.9518 8.5158 121.5129 61.5208 34.2908 174.3110 630 C 5.3503 9.5168 124.6433 57.9379 32.7015 172.8257 631 R 4.4416 8.7549 121.9597 55.6332 31.5280 175.7235 632 G 4.4168 8.6940 111.8055 45.5627 0.0000 171.0755 633 R 5.1346 8.9784 118.0445 54.1248 33.9494 174.7036 634 L 5.1054 9.1022 125.7728 53.1626 44.6620 175.0251 635 K 4.7419 9.2446 127.3686 54.9500 34.5799 175.0040 636 A 3.8176 8.2172 130.2734 48.8172 21.3870 173.8158 637 P 4.1846 0.0000 0.0000 64.5760 31.6779 177.0413 638 G 4.0097 9.1356 111.2244 44.8599 0.0000 173.2733 639 K 4.6401 7.3065 117.7465 53.9958 35.2021 176.3565 640 K 4.1689 8.3250 120.9871 55.9353 32.7396 176.6477 641 E 4.4324 8.5033 122.5508 56.7075 30.3722 176.0295 642 S 4.8253 9.1450 119.7422 56.5429 67.0916 172.3653 643 C 4.8115 8.6480 121.5801 59.3129 32.2809 173.0394 644 V 4.8933 8.7564 118.1008 59.5606 36.0619 174.4268 645 A 5.0635 8.7855 125.2109 51.4941 20.6690 176.5319 646 I 5.0373 9.0251 121.9600 59.5567 41.0344 174.5991 647 K 5.1931 9.1798 127.4094 55.2546 33.6981 175.8219 648 T 5.1785 8.7350 114.2288 60.1573 71.9686 173.1874 649 L 4.7214 7.7524 127.1058 54.7696 44.5484 176.1978 *654 T 4.2459 8.5660 106.5482 59.2769 70.6665 170.2444 655 E 3.8730 7.9484 120.0839 58.0328 30.0933 176.1151 656 R 3.9731 7.8947 118.6309 60.3599 30.2986 179.5533 657 Q 4.0756 7.9611 120.4358 59.8331 28.0120 180.2562 658 R 3.9929 7.8849 121.3457 60.4189 30.2171 179.3984 659 R 4.0121 8.0554 122.6126 61.7349 29.0928 181.0810 660 E 4.1505 8.0110 117.6558 61.1184 29.5665 181.5455 661 F 4.1452 8.0825 122.5277 61.2586 39.4351 177.2821 662 L 4.0183 8.1688 118.2315 57.0090 41.3632 179.2268 663 S 4.3266 8.1175 116.1779 60.8311 62.5010 176.2738 664 E 4.0197 7.8073 121.3155 59.0368 29.2491 178.7383 665 A 3.8914 7.7334 120.5988 54.9725 18.4025 179.5660 666 S 3.9546 7.8150 112.7629 61.5663 62.9772 176.8960 667 I 3.3229 7.9054 123.8217 64.1755 36.9015 177.8527 668 M 3.6239 8.0813 119.3837 58.6618 31.7351 178.1276 669 G 3.6402 7.9297 103.9442 46.5265 0.0000 174.9105 670 Q 3.9581 7.4675 119.4769 56.1885 29.1861 175.7104 671 F 5.3316 6.8296 118.1728 55.6631 41.4004 175.2464 672 E 4.3872 9.2627 125.1593 55.4674 30.9695 173.8236 673 H 4.4176 7.9746 124.1504 53.9174 32.5895 172.7532 674 P 4.3067 0.0000 0.0000 64.9468 31.4370 176.6083 675 N 4.9759 8.2424 116.0568 52.7573 39.1362 173.1639 676 I 5.0540 7.4697 118.6743 59.0099 40.3568 175.4047 677 I 3.8207 8.6096 127.4745 61.8559 38.6207 174.9879 678 R 4.2872 9.3804 130.5445 55.5087 31.3282 174.8120 679 L 4.4858 8.4432 128.9073 55.1562 42.3829 175.9494 680 E 4.2037 9.3330 126.8832 57.3036 30.6502 176.7654 681 G 3.9111 6.8854 104.3791 46.0818 0.0000 171.2734 682 V 4.7954 7.4198 110.6826 59.5234 35.7459 174.6727 683 V 4.5648 8.5393 121.3075 61.5210 32.7160 176.0972 684 T 4.3705 8.2852 115.2992 62.7190 70.8737 175.4642 685 N 4.2799 8.2239 117.1283 54.4489 38.8026 173.9171 686 S 4.7579 7.4370 114.1258 56.8982 65.5251 173.0796 687 M 4.8347 8.1420 119.6529 51.6084 34.5248 172.3402 688 P 4.5146 0.0000 0.0000 61.4470 32.5898 176.0862 689 V 4.0896 8.0566 119.9322 63.3851 32.7137 174.6610 690 M 5.5418 9.3362 126.4403 53.6976 36.5334 174.2878 691 I 4.8646 8.6876 121.5919 59.5392 40.6539 174.4456 692 L 5.3773 9.2512 127.2807 53.1962 44.6951 175.7575 693 T 5.2834 8.7649 112.6984 59.1885 72.9092 172.7979 694 E 4.3391 8.7211 119.9362 56.9746 30.1642 176.2434 695 F 4.7868 8.7422 123.4724 57.4128 41.0980 174.9529 696 M 4.1313 7.7573 125.9649 53.4009 31.9873 176.5285 697 E 3.5901 8.2884 124.6415 58.6457 29.8124 178.0093 698 N 4.5455 7.9210 113.9016 52.0202 39.5123 177.1446 699 G 3.6871 7.5416 107.4022 45.6640 0.0000 172.9724 700 A 4.5157 8.2463 121.6565 51.8218 20.3679 178.5043 701 L 4.0704 8.7622 125.5491 58.0629 41.7247 179.5217 702 D 4.4323 8.1150 119.1097 56.6145 39.5486 178.6382 703 S 4.2370 8.1136 115.6948 60.8625 62.9628 175.9654 704 F 4.3274 8.3313 123.5447 61.1398 39.4515 176.8637 705 L 4.3075 8.4831 118.8639 57.8200 41.2398 179.5469 706 R 4.1713 7.8568 118.3694 58.7486 30.1547 178.6838 707 L 4.1052 7.9857 118.5294 56.9067 42.3376 176.8537 708 N 4.7841 7.8216 116.8760 52.0699 39.2677 173.8220 709 D 3.7594 7.9072 118.0672 55.6021 41.4219 176.2725 710 G 3.3439 5.5646 113.8487 45.6843 0.0000 173.4002 711 Q 4.1821 7.2106 117.0382 55.3305 29.5574 175.4583 712 F 5.3668 7.7554 116.4729 55.5993 42.0292 175.7993 713 T 4.3997 8.8412 114.5085 61.1048 70.9604 176.0749 714 V 3.6197 8.3658 120.8330 66.4908 31.4417 178.2803 715 I 3.7491 7.7214 118.9632 64.3310 37.0983 178.2647 716 Q 4.0048 8.0455 118.5698 58.9265 28.5129 178.7866 717 L 3.9375 8.0873 120.0769 57.7183 41.5456 179.7436 718 V 3.6873 8.2307 118.7641 65.7934 31.4579 178.2518 719 G 3.6360 8.1363 105.6025 48.0377 0.0000 175.5590 720 M 4.0514 7.9201 120.7802 58.2642 31.9511 178.9207 721 L 4.1120 8.0868 119.1101 57.6727 41.6985 179.6585 722 R 4.0210 8.4439 119.4037 59.2322 30.0459 178.7157 723 G 3.6459 8.1907 105.5572 47.9631 0.0000 175.6514 724 I 3.7443 7.9371 122.2905 64.0852 37.1745 178.4536 725 A 3.7522 8.4324 121.7739 54.9671 18.1085 179.7058 726 S 4.1128 8.3698 111.9849 61.2957 62.5084 176.3275 727 G 3.5442 7.9579 108.4707 48.3609 0.0000 175.4785 728 M 3.7147 7.8481 121.6942 57.4060 31.6962 178.6665 729 R 3.8963 8.0961 119.3282 59.7115 30.1891 177.8623 730 Y 3.9890 7.9716 118.9622 60.6990 38.7492 178.0419 731 L 3.6411 7.8792 119.6107 57.6337 41.7484 179.3322 732 A 4.0599 8.1670 120.9558 55.2416 18.1213 179.2703 733 E 3.9390 8.0678 116.7319 59.4486 29.7115 178.0571 734 M 4.2808 7.6038 115.8884 54.5611 31.9900 176.1779 735 S 3.7494 7.7204 113.7760 59.5714 61.2433 171.1383 736 Y 4.4802 8.3450 121.5637 55.9511 39.4955 174.7105 737 V 4.3508 7.5452 127.0000 61.6276 32.9496 174.8356 738 H 4.3815 10.0866 127.8363 58.8836 29.9661 177.4169 739 R 4.3490 8.8704 115.6459 56.3327 29.1581 175.7926 740 D 4.7808 7.5865 115.8908 53.2249 41.5709 175.2247 741 L 3.9616 8.2959 120.3154 54.6672 42.6501 175.2811 742 A 4.5703 8.0248 126.9448 50.6369 22.0749 176.4210 743 A 4.1143 9.5337 124.2607 55.1844 18.6103 180.6655 744 R 4.1670 7.8376 110.5328 58.2229 29.6386 177.0227 745 N 4.6605 8.3849 115.1371 52.9381 39.0732 173.6693 746 I 4.8608 7.5547 121.0174 59.7007 39.2874 174.7478 747 L 5.0711 8.8122 126.8845 52.9933 44.6864 175.5135 748 V 4.7243 8.3736 121.8730 61.1072 34.5195 175.0458 749 N 5.1939 8.5597 125.7015 51.1037 39.5167 176.0701 750 S 4.0453 8.9838 113.5497 61.1990 62.9108 174.9245 751 N 4.6002 8.1836 116.2772 52.7473 38.2660 175.1884 752 L 3.4989 8.0029 116.8875 55.1261 39.9588 174.5072 753 V 3.7175 7.9203 120.2445 62.8056 31.8815 174.4090 754 C 5.1026 8.4518 124.8433 58.3561 29.7189 173.2456 755 K 4.7460 8.9303 122.5929 54.3169 35.9939 175.8527 756 V 4.0962 9.0851 125.5633 63.0749 32.7212 175.1028 757 S 5.1690 8.2676 121.7475 57.3360 66.4172 170.8730 758 D 4.4485 8.9754 119.7042 54.5565 37.9353 172.7793 759 F 4.7228 8.2723 120.2531 54.5952 39.4333 173.1178 *782 I 3.9621 7.6828 120.9521 60.2229 38.3258 175.0589 783 P 4.7208 0.0000 0.0000 61.7792 29.9018 176.5899 784 I 3.6915 8.5186 128.2938 65.2244 37.2532 178.3108 785 R 3.9024 8.0307 112.6186 56.9940 29.5078 176.6468 786 W 4.7133 8.7072 118.4932 57.0025 30.0453 175.4828 787 T 4.6667 7.6145 115.7603 61.4507 69.8666 175.1270 788 A 2.5800 8.1186 127.3393 50.7615 20.3770 176.8859 789 P 3.7827 0.0000 0.0000 65.9471 31.0624 178.8552 790 E 3.5685 7.6946 116.4491 58.8637 29.7836 178.8253 791 A 3.8559 7.3673 122.5644 53.9273 18.1482 179.5426 792 I 3.4456 7.1557 117.4748 64.4018 37.2982 178.0969 793 A 3.8304 7.2766 119.9673 54.4156 18.1633 178.7976 794 F 5.0277 7.9663 115.8480 56.8041 39.7014 176.8255 795 R 3.8325 7.5077 114.9108 56.7432 27.0103 181.8267 796 K 4.2058 7.1653 121.5373 56.4907 30.6777 174.6203 797 F 4.8143 8.4458 123.7820 56.0206 40.0601 176.0883 798 T 4.8470 9.1230 115.9701 59.1592 73.2879 174.8504 799 S 4.3370 8.7364 115.8486 61.6908 62.5278 176.8519 800 A 4.0987 8.0751 123.5269 54.9173 18.2743 179.5957 801 S 4.2423 8.1599 112.5360 61.7661 62.9460 176.4884 802 D 4.6565 8.5668 122.3461 57.2140 40.5965 178.5878 803 A 3.8817 8.1686 121.4436 54.6469 18.4322 179.2379 804 W 4.7545 8.1356 128.2148 60.4800 30.7667 178.2948 805 S 4.8511 8.6089 116.2236 61.3987 62.2818 176.1622 806 Y 4.2427 8.9045 122.6724 60.6069 38.5968 178.0905 807 G 3.4919 8.4054 106.7118 47.9795 0.0000 175.5417 808 I 3.9935 8.1039 121.7795 64.2165 37.0968 178.5048 809 V 3.9192 8.1907 119.1397 66.4423 31.1995 177.7798 810 M 3.8291 8.1048 118.6045 58.2111 31.8112 178.5261 811 W 4.0495 8.3136 128.2570 60.4818 30.8573 177.7276 812 E 4.0150 8.8938 118.9680 59.4820 28.9836 179.6195 813 V 3.4250 8.0195 118.4290 66.2899 31.4577 177.9648 814 M 3.9630 7.8821 116.7328 56.9716 32.0934 177.7080 815 S 4.3448 7.3859 113.6769 56.6594 63.3983 173.9562 816 F 3.8641 8.7417 120.3395 59.0374 36.8075 176.4992 817 G 3.9177 8.6116 104.0642 45.9407 0.0000 174.0106 818 E 4.2145 7.3645 118.6806 55.3940 30.4306 176.3689 819 R 4.2554 8.5302 123.9735 55.0303 30.8619 174.1542 820 P 3.0929 0.0000 0.0000 64.0950 31.7819 175.5562 821 Y 3.2511 6.4395 118.1010 58.2020 36.7989 172.8251 822 W 3.5301 7.0599 124.4051 58.7775 29.6936 176.6717 823 D 4.8457 9.4122 127.5439 53.7937 40.2871 177.7195 824 M 4.0467 7.9173 118.1249 56.9489 32.6705 177.2096 825 S 4.4685 8.3229 116.9850 57.5571 65.6844 175.1020 826 N 4.1494 8.5591 119.3233 56.6624 38.1717 177.4166 827 Q 3.8716 7.9104 120.1282 59.2197 29.1759 177.5801 828 D 4.2659 8.0649 119.9289 57.3870 40.8453 179.0733 829 V 3.1899 7.9755 118.9262 65.9383 31.3136 178.1023 830 I 3.5371 7.8280 119.9026 64.4904 36.9138 178.1963 831 N 4.3365 8.4959 117.3880 55.7522 38.3040 177.5182 832 A 3.9363 8.1356 122.7368 55.1847 18.4736 179.6812 833 I 3.9026 7.7689 118.3192 64.7276 37.0211 178.3593 834 E 3.9717 7.7635 118.5555 58.5401 29.3398 177.6676 835 Q 4.5543 7.6765 116.5003 55.6591 29.7776 176.0006 836 D 4.7926 8.1222 118.0072 54.5000 39.1016 174.1525 837 Y 4.2963 8.0423 120.8395 57.4897 39.3739 175.1481 838 R 4.2381 7.0676 123.6481 53.5896 34.2377 175.1326 839 L 3.6290 7.3263 120.7419 54.3634 41.9321 175.6831 840 P 4.7127 0.0000 0.0000 60.8651 32.5839 174.0587 841 P 4.2786 0.0000 0.0000 62.1732 31.6684 174.7457 842 P 4.4053 0.0000 0.0000 61.4500 31.9730 173.8815 843 P 4.4052 0.0000 0.0000 64.6665 31.5410 176.5278 844 D 4.4028 8.8256 119.3759 54.7934 38.7879 173.3822 845 C 4.2385 7.9944 120.6775 58.0849 32.1948 172.0672 846 P 4.4913 0.0000 0.0000 63.4238 32.6322 177.4072 847 T 3.9178 8.8677 119.6249 66.7906 68.5786 177.1545 848 S 4.2142 8.1153 115.6454 61.5075 62.7689 176.5389 849 L 3.9843 7.6947 122.0558 57.7557 41.4993 178.5817 850 H 4.0909 8.1505 118.0620 59.1422 29.7769 177.1370 851 Q 3.7986 8.4933 122.0054 58.9518 28.8577 177.9532 852 L 3.9881 7.7105 121.0450 58.1868 42.1913 178.7743 853 M 3.1384 7.6537 118.6630 58.1159 31.5240 178.7572 854 L 3.8135 7.1004 117.6169 57.6025 41.8482 179.0891 855 D 4.3994 7.8230 118.8920 57.6189 40.7316 178.6236 856 C 4.1018 7.7490 116.9836 61.6367 27.6719 175.0054 857 W 4.2478 6.8225 118.5938 55.3041 29.8564 176.2974 858 Q 4.2834 7.3497 118.7372 55.6462 28.8120 176.7348 859 K 4.1109 8.8840 123.5641 59.4022 32.7396 176.3907 860 D 4.5342 8.1040 119.9587 53.5808 40.8967 176.5430 861 R 4.0969 8.6746 124.8211 59.1942 29.6572 178.5805 862 N 4.3908 8.2528 114.8259 55.2531 38.6548 175.8896 863 A 4.2580 7.7724 120.1707 53.6292 19.1303 178.2321 864 R 4.2685 7.3058 115.3961 55.1680 30.6746 174.9794 865 P 4.4118 0.0000 0.0000 62.7411 32.1343 177.1760 866 R 4.0623 9.0825 120.7697 55.6330 32.1732 178.0705 867 F 4.1356 8.4525 118.8363 60.2415 38.8395 176.2124 868 P 4.3032 0.0000 0.0000 65.7140 31.0778 178.6138 869 Q 4.5280 7.9293 117.7576 58.2291 28.6549 178.6115 870 V 3.4845 7.7343 119.3610 66.0120 31.5498 178.2527 871 V 3.5762 7.8752 118.0703 66.0284 31.3811 178.0502 872 S 4.1453 8.2354 113.8088 61.3363 62.8477 176.2854 873 A 3.9377 8.2538 124.5666 54.9432 18.1773 179.6300 874 L 3.9644 7.8841 117.4401 58.0517 41.6126 179.4123 875 D 4.3838 8.5546 119.2339 57.3693 40.8533 178.9438 876 K 3.9103 8.2282 118.9313 59.9364 32.1795 179.2943 877 M 4.1180 7.9768 118.3615 58.3432 31.6138 178.9291 878 I 3.8423 7.7031 119.2374 64.4553 37.3532 178.3809 879 R 4.1108 8.1700 118.2215 57.8863 31.4062 176.7045 880 N 5.0502 7.7453 115.1653 50.9179 38.7984 173.0437 881 P 4.3721 0.0000 0.0000 64.2781 31.9035 177.9827 882 A 3.9812 8.1471 120.1892 55.5433 17.9392 179.4429 883 S 4.1029 8.0211 111.0055 61.5912 62.8343 176.0364 884 L 4.2901 7.8177 120.0978 55.5834 41.7258 177.9935 885 K 4.1249 7.9971 118.5482 58.7392 32.5000 177.7389 886 I 3.8896 7.6912 120.8557 61.1360 37.5220 176.1550 887 V 4.1242 8.1775 124.1067 63.0757 31.7164 174.7926 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 609 E 8.44 4.23 0.00 1.91 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 2.24 2.40 0.00 610 I 8.00 4.15 1.87 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 1.23 0.89 0.99 0.00 0.00 611 D 8.48 4.02 0.00 1.90 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 612 V 8.27 3.56 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.89 0.00 0.00 613 S 7.90 4.28 0.00 4.13 3.99 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 0.00 614 Y 8.12 4.62 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 615 V 7.61 4.79 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 0.76 0.00 0.00 0.97 0.00 0.00 616 K 9.00 4.50 0.00 1.83 1.63 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.37 7.81 617 I 8.42 4.19 1.87 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 1.35 0.66 0.91 0.00 0.00 618 E 8.68 4.62 0.00 1.87 1.86 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 2.23 2.31 0.00 619 E 7.99 3.62 0.00 2.05 1.74 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 2.39 2.38 0.00 620 V 8.42 4.25 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 0.88 0.00 0.00 1.00 0.00 0.00 621 I 8.80 4.44 1.98 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.93 0.98 0.00 0.00 622 G 7.78 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 0.00 0.00 0.00 0.00 623 A 8.62 5.12 1.21 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 0.00 0.00 624 G 9.12 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 0.00 0.00 0.00 0.00 625 E 8.98 3.88 0.00 1.85 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 0.00 1.49 2.05 0.00 626 F 8.59 4.76 0.00 3.15 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 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0.00 1.67 1.61 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.28 1.30 7.81 636 A 8.22 3.82 1.08 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 0.00 0.00 637 P 0.00 4.18 0.00 1.96 1.96 0.00 3.07 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 638 G 9.14 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 0.00 0.00 0.00 639 K 7.31 4.64 0.00 1.67 1.65 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.45 7.81 640 K 8.32 4.17 0.00 1.99 1.73 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.44 0.99 7.81 641 E 8.50 4.43 0.00 1.95 1.83 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 2.28 2.41 0.00 642 S 9.15 4.83 0.00 3.85 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 0.00 643 C 8.65 4.81 0.00 3.03 2.96 0.00 0.00 0.00 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0.00 0.00 0.00 818 E 7.36 4.21 0.00 2.10 1.75 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 2.83 2.45 0.00 819 R 8.53 4.26 0.00 2.02 1.88 0.00 3.37 0.00 0.00 3.61 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 820 P 0.00 3.09 0.00 1.42 1.11 0.00 3.72 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.87 0.00 821 Y 6.44 3.25 0.00 2.92 2.89 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 0.00 822 W 7.06 3.53 0.00 3.62 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 823 D 9.41 4.85 0.00 2.69 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 824 M 7.92 4.05 0.00 1.94 2.19 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.48 0.00 825 S 8.32 4.47 0.00 4.02 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 826 N 8.56 4.15 0.00 2.79 2.86 0.00 0.00 6.44 7.74 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 0.00 827 Q 7.91 3.87 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.88 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 828 D 8.06 4.27 0.00 2.89 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 0.00 829 V 7.98 3.19 1.87 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 0.04 0.00 0.00 0.51 0.00 0.00 830 I 7.83 3.54 1.90 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 1.36 0.99 0.78 0.00 0.00 831 N 8.50 4.34 0.00 2.64 2.81 0.00 0.00 6.91 7.68 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 0.00 832 A 8.14 3.94 1.26 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 0.00 833 I 7.77 3.90 1.80 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.84 0.97 0.00 0.00 834 E 7.76 3.97 0.00 1.83 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 835 Q 7.68 4.55 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 5.64 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 836 D 8.12 4.79 0.00 2.90 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 0.00 837 Y 8.04 4.30 0.00 2.96 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 0.00 838 R 7.07 4.24 0.00 1.65 1.73 0.00 3.37 0.00 0.00 3.09 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 839 L 7.33 3.63 0.00 0.79 0.79 -1.34 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 840 P 0.00 4.71 0.00 2.33 2.21 0.00 4.03 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 841 P 0.00 4.28 0.00 2.16 1.96 0.00 3.75 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.87 0.00 842 P 0.00 4.41 0.00 2.01 1.62 0.00 3.56 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.16 0.00 843 P 0.00 4.41 0.00 2.05 2.02 0.00 3.79 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 2.07 2.17 0.00 844 D 8.83 4.40 0.00 2.86 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 0.00 845 C 7.99 4.24 0.00 2.94 2.87 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 0.00 846 P 0.00 4.49 0.00 2.18 2.13 0.00 3.63 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.33 0.00 847 T 8.87 3.92 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 1.22 0.00 0.00 848 S 8.12 4.21 0.00 4.02 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 0.00 849 L 7.69 3.98 0.00 1.84 1.70 0.89 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 850 H 8.15 4.09 0.00 3.21 3.42 0.00 5.59 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 0.00 851 Q 8.49 3.80 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 852 L 7.71 3.99 0.00 1.85 1.72 0.83 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 853 M 7.65 3.14 0.00 0.51 1.54 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 2.53 2.35 0.00 854 L 7.10 3.81 0.00 1.58 1.64 0.93 0.98 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 0.00 855 D 7.82 4.40 0.00 2.72 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 0.00 856 C 7.75 4.10 0.00 2.53 2.89 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 0.00 857 W 6.82 4.25 0.00 2.97 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 0.00 0.00 0.00 858 Q 7.35 4.28 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.96 0.00 0.00 0.00 0.00 0.00 2.43 2.57 0.00 859 K 8.88 4.11 0.00 2.09 1.92 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.42 1.00 7.81 860 D 8.10 4.53 0.00 2.83 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 0.00 861 R 8.67 4.10 0.00 2.09 2.23 0.00 3.05 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 862 N 8.25 4.39 0.00 2.92 2.93 0.00 0.00 6.97 7.36 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 0.00 863 A 7.77 4.26 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 0.00 864 R 7.31 4.27 0.00 1.91 1.85 0.00 3.39 0.00 0.00 3.64 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.66 0.00 865 P 0.00 4.41 0.00 2.04 1.96 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.87 0.00 866 R 9.08 4.06 0.00 1.87 1.87 0.00 3.12 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 867 F 8.45 4.14 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 0.00 868 P 0.00 4.30 0.00 2.16 2.12 0.00 3.56 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 869 Q 7.93 4.53 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.89 0.00 0.00 0.00 0.00 0.00 2.42 2.24 0.00 870 V 7.73 3.48 2.13 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 0.72 0.00 0.00 0.72 0.00 0.00 871 V 7.88 3.58 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 1.05 0.00 0.00 0.96 0.00 0.00 872 S 8.24 4.15 0.00 4.09 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 0.00 873 A 8.25 3.94 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 0.00 874 L 7.88 3.96 0.00 1.90 1.75 1.04 1.17 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 0.00 875 D 8.55 4.38 0.00 2.80 2.72 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 0.00 876 K 8.23 3.91 0.00 2.10 1.86 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.36 7.81 877 M 7.98 4.12 0.00 2.09 2.25 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 2.77 2.57 0.00 878 I 7.70 3.84 2.00 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 1.52 0.59 0.91 0.00 0.00 879 R 8.17 4.11 0.00 1.96 1.99 0.00 3.10 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 880 N 7.75 5.05 0.00 2.76 2.71 0.00 0.00 7.17 7.34 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 0.00 881 P 0.00 4.37 0.00 2.20 2.09 0.00 3.97 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 882 A 8.15 3.98 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 883 S 8.02 4.10 0.00 4.02 4.03 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 0.00 0.00 0.00 884 L 7.82 4.29 0.00 1.75 1.75 0.96 1.16 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 0.00 885 K 8.00 4.12 0.00 1.76 1.87 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.61 1.56 7.81 886 I 7.69 3.89 1.87 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 1.30 0.72 0.91 0.00 0.00 887 V 8.18 4.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.01 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.