NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 579 D 4.6145 8.2227 120.1953 54.4801 43.3568 177.4106 580 D 4.2784 7.9381 117.8931 55.3622 41.2617 174.6329 581 E 4.1669 8.3348 117.7060 59.0818 30.2660 177.7304 582 Y 4.1294 7.9058 120.2887 60.6378 39.0140 177.5197 583 T 3.8313 7.6295 116.1897 66.0460 68.5054 176.8231 584 K 3.9725 7.6950 120.3435 59.3997 32.3552 178.9774 585 L 3.9192 7.6678 118.8374 57.5978 41.3043 179.3294 586 L 3.7386 7.3218 117.7926 58.2591 41.6416 179.0783 587 H 4.4442 7.6660 113.7767 58.4065 28.8039 177.3043 588 D 4.4808 8.3491 120.8484 54.7189 40.9439 177.7742 589 G 3.9257 7.5707 107.0254 44.3461 0.0000 172.6589 590 I 4.0197 7.9863 119.4277 60.7785 37.7788 176.0444 591 Q 4.4370 8.3408 124.1629 53.8855 30.2399 173.7712 592 P 4.4601 0.0000 0.0000 61.9617 32.6514 177.4049 593 V 3.2625 8.6241 120.9673 64.9789 31.0038 177.8461 594 A 4.1086 7.8963 120.3791 53.4507 18.4420 177.4490 595 A 4.4245 8.0462 117.7670 52.7013 19.8335 178.8559 596 I 3.7285 7.5235 116.8638 63.4175 37.4439 176.3004 597 D 4.4409 7.4242 115.0800 53.2644 43.6648 176.5172 598 S 4.2102 9.1107 121.2468 60.5168 63.2118 174.2716 599 N 4.9082 8.8948 119.4041 53.1271 39.0277 175.5152 600 F 2.9369 8.2047 120.6670 60.6397 39.3660 175.6909 601 A 4.5947 7.9708 120.5947 51.6653 19.3233 175.7405 602 S 4.6061 7.8876 113.5697 57.4972 63.9387 175.3358 603 F 4.6135 8.4674 125.0718 60.8519 38.7653 176.7877 604 T 4.1847 8.3071 109.7697 63.3237 69.0490 174.4630 605 Y 4.1129 8.0351 124.6949 57.5394 39.4738 175.0408 606 T 4.2813 7.3061 117.1480 58.8609 69.3222 173.0000 607 P 4.3485 0.0000 0.0000 65.6140 31.3946 178.4819 608 R 4.1674 7.8279 116.0165 57.8872 30.0033 176.9735 609 S 4.4830 7.7618 113.3868 58.2987 63.3168 173.8867 610 L 4.3624 7.7530 123.8365 53.3672 42.7901 174.7052 611 P 4.3319 0.0000 0.0000 62.7010 32.2472 176.7817 612 E 3.9331 8.9728 122.1751 59.8211 29.1675 179.0682 613 D 4.4722 8.1201 117.1869 56.4138 41.0843 177.0937 614 D 4.7840 7.8666 118.1788 54.4509 41.2595 178.2401 615 T 3.5333 7.7410 112.2822 64.4252 68.9136 177.0918 616 S 4.2432 8.0294 117.7478 61.7288 62.9272 175.7413 617 M 4.0129 8.1984 120.2053 58.9233 31.8519 178.0143 618 A 4.0250 7.8544 120.8177 54.9371 18.5531 179.4754 619 I 4.0535 8.3022 118.5432 65.0086 37.3578 178.5527 620 L 4.1198 8.0235 119.1459 58.0139 41.3959 179.7802 621 S 4.1173 8.4459 115.3506 61.8468 62.6428 176.7775 622 M 3.7413 8.0939 121.3749 58.2690 31.8298 178.8451 623 L 3.8544 7.8699 119.1875 57.4859 41.7173 179.4162 624 Q 3.8754 8.1532 119.6235 59.3719 28.9047 177.8998 625 D 4.5420 8.0016 117.3326 57.0532 41.3616 177.1319 626 M 3.6794 7.8129 117.0595 54.9897 32.2529 176.3896 627 N 4.3586 8.3606 117.8621 54.1998 38.7169 175.7053 628 F 4.5407 7.5059 117.1958 60.6139 38.8128 177.8089 629 I 3.7349 7.6717 119.1982 64.3350 37.2095 177.5026 630 N 4.2449 8.1067 117.2630 56.9727 38.6084 176.1988 631 N 4.2366 7.8943 116.8567 56.3093 39.0988 175.4694 632 Y 4.7055 7.7194 114.9196 56.4804 38.8697 175.4662 633 K 3.9013 7.9048 118.3211 57.2900 30.4476 175.7962 634 I 3.9320 7.8485 118.8126 60.8737 37.7926 176.8899 635 D 4.4294 8.8289 125.0436 54.8997 42.2150 176.6694 636 C 4.1745 8.7081 124.7541 62.4020 28.4377 173.9747 637 P 4.3383 0.0000 0.0000 66.1246 30.8030 178.7257 638 T 4.1428 8.0731 115.3641 66.1369 68.4052 176.5677 639 L 4.0185 8.2488 122.1301 57.9441 41.9521 178.9767 640 A 4.0807 8.1825 120.8575 55.2852 18.3356 179.7911 641 R 3.8614 8.3461 116.7352 59.2370 30.1086 179.0074 642 F 4.0328 8.5162 120.6352 61.5630 39.4349 176.7661 643 C 3.9684 8.3994 118.2092 62.3733 31.5000 175.3575 644 L 3.7898 8.1469 120.9101 57.9350 40.9496 179.2817 645 M 3.8629 7.7863 117.2049 58.5201 32.4945 178.3809 646 V 3.5087 7.2725 112.5099 64.2426 31.6177 178.2250 647 K 2.9606 7.2069 119.2132 59.3007 31.5352 178.4765 648 K 4.1349 7.5770 117.9762 58.5295 32.2075 178.3305 649 G 3.6681 7.6366 104.3924 45.1609 0.0000 173.8176 650 Y 3.8637 6.9717 117.8824 58.0034 38.3560 176.6590 651 R 4.3855 8.4701 123.3986 55.9166 31.8327 175.6613 652 D 5.0710 8.1897 115.3648 52.2404 39.1896 173.5401 653 P 4.6044 0.0000 0.0000 62.3250 32.8023 174.6870 654 P 4.3589 0.0000 0.0000 65.3401 31.0387 175.9327 655 Y 4.4807 7.7691 114.9984 59.5977 41.1775 176.2216 656 H 4.2779 8.2427 117.3592 55.4273 27.6295 173.0538 657 N 5.3659 7.0386 118.7013 50.6411 40.8082 175.0591 658 W 3.5684 8.7838 125.8437 61.3188 30.6896 178.2149 659 M 3.6137 8.0519 118.0883 58.7472 31.2598 178.1040 660 H 3.7853 8.2152 117.5935 59.0859 29.9609 176.9615 661 A 3.6535 7.2536 122.3973 55.0289 18.0176 179.2316 662 F 3.4582 7.5540 120.1105 61.3216 39.4913 177.5728 663 S 3.7451 7.9135 113.7057 60.9079 62.7900 176.6367 664 V 3.4759 7.6017 122.2011 65.9028 31.3021 178.0233 665 S 3.7307 7.9770 115.2839 61.9058 62.6395 176.3201 666 H 4.1446 8.0598 121.0787 59.1420 29.4527 177.0830 667 F 4.1763 8.1098 122.1379 60.9934 39.1668 176.8080 668 C 4.1728 8.1392 118.8672 62.4047 31.2851 174.7028 669 Y 4.2690 8.2065 121.1298 60.9964 38.3479 178.3019 670 L 3.5107 7.8019 119.6589 57.4732 41.5066 179.6028 671 L 3.7495 7.7680 119.1661 57.6488 41.3231 178.5839 672 Y 3.9777 7.9799 119.5286 60.8618 38.4519 178.6893 673 K 3.7865 7.8106 117.9533 59.1284 32.2273 178.5485 674 N 4.3949 7.7689 114.8116 54.0947 39.0188 176.4652 675 L 4.3253 7.7542 118.1554 52.9189 43.9238 175.7180 676 E 3.5626 7.4371 117.3115 57.1815 26.8944 175.4576 677 L 4.1781 7.1597 120.2425 57.6548 42.5412 180.1728 678 T 3.8897 7.6918 107.6802 64.2099 68.6837 174.7061 679 N 4.5790 7.9625 117.9717 54.4567 38.9229 175.0181 680 Y 4.7014 8.9003 115.5158 58.4072 40.2605 175.4156 681 L 5.0655 7.8170 116.2550 52.2208 45.6374 176.1479 682 E 4.4960 9.2590 119.8253 55.8451 31.4526 178.1344 683 D 4.7073 8.7074 120.2201 57.9402 41.0017 179.0432 684 I 3.8746 8.0074 118.5818 64.0246 38.0498 177.6979 685 E 4.0639 8.2039 119.1994 59.3759 29.3982 179.0614 686 I 3.9057 8.0609 119.8737 64.5729 37.3548 178.0786 687 F 4.1654 8.5080 121.3604 61.5076 38.9562 177.0347 688 A 3.8888 8.2182 120.1218 54.5088 18.0931 179.4933 689 L 3.9462 7.9129 119.2517 58.2584 42.2959 178.8707 690 F 4.0964 8.5899 120.7179 61.5663 39.1931 177.2328 691 I 4.0114 7.7288 118.0082 64.3586 37.0168 178.2999 692 S 4.3822 8.5206 116.5290 61.8302 62.4662 176.2469 693 C 4.0124 8.1371 118.5667 63.3790 27.9521 175.9027 694 M 4.3106 7.7329 118.6018 58.0139 31.8080 177.6705 695 C 4.8109 8.2123 114.5766 60.0172 28.8651 175.0653 696 H 4.5631 8.4565 116.4910 57.2766 28.6814 175.3718 697 D 4.9082 7.9170 121.5894 53.9384 41.4999 177.8315 698 L 3.3264 7.7094 122.3544 57.2631 41.5863 178.0155 699 D 4.8764 8.0205 116.3965 53.6786 41.6803 175.2766 700 H 4.3295 8.2030 118.0600 56.0405 30.2351 174.6989 701 R 4.2745 9.0889 125.9664 55.5317 31.7502 177.5904 702 G 3.7784 8.7101 104.5533 45.7541 0.0000 173.8237 703 T 3.9113 7.6251 116.3298 62.9868 67.3808 174.0292 704 N 4.6971 8.4305 125.3151 51.6103 37.1115 174.4201 705 N 4.9428 8.4181 121.3389 52.6286 40.0344 174.3335 706 S 4.6535 7.6801 110.6024 56.1221 65.9151 173.9213 707 F 4.6331 8.5315 120.8153 57.8074 39.4695 178.2223 708 Q 4.0568 8.0574 118.1648 58.7804 28.8268 178.2147 709 V 3.8420 7.7121 118.2786 65.4487 31.6276 177.3972 710 A 4.0955 8.1233 120.0721 55.8152 17.8473 179.5555 711 S 4.0593 7.7483 112.1738 60.9852 62.8830 175.6252 712 K 4.3187 8.0913 119.0624 57.4458 33.7760 177.4146 713 S 4.5224 7.4918 112.3084 56.0050 65.9507 174.9526 714 V 3.4907 8.4641 128.8667 66.0892 31.3939 177.7622 715 L 3.7554 7.8103 119.3648 57.7116 41.8700 178.4214 716 A 4.1365 8.4949 121.1117 55.2171 18.1250 179.4369 717 A 3.9259 7.6453 118.0604 54.7441 18.3983 179.2739 718 L 4.0956 6.7641 116.9315 57.5469 41.7727 178.5452 719 Y 4.1313 7.7864 116.8239 59.9266 37.8904 176.6222 720 S 4.2838 7.8300 113.7661 58.4275 63.2956 174.0150 721 S 4.5899 8.6560 122.3542 58.5207 63.5773 172.6801 722 E 4.9058 9.7215 120.1685 54.4803 32.2242 175.6399 723 G 4.1157 8.2208 116.2023 46.4059 0.0000 174.2573 724 S 4.4300 8.1954 115.0812 59.3961 63.1357 174.9627 725 V 4.0306 7.9318 118.3500 64.3742 32.3742 175.0387 726 M 4.5714 7.5237 118.8767 52.9149 33.7447 175.2221 727 E 4.2094 8.7497 124.3065 56.4441 30.2270 175.9303 728 R 4.6673 8.3651 123.6991 54.8572 33.8171 174.5327 729 H 5.1193 8.5525 113.9872 55.7889 29.8814 176.8610 730 H 4.1834 8.3775 117.9742 58.9933 28.7351 176.6001 731 F 4.2011 8.4077 121.5699 61.5173 39.3726 176.6317 732 A 3.6393 8.0982 119.6541 55.3854 18.0831 179.4757 733 Q 3.8752 8.2455 116.1704 58.8293 28.7012 178.8035 734 A 3.9842 7.7812 121.9647 55.2276 18.3836 179.7743 735 I 3.5725 7.4874 118.1073 64.3642 36.8720 178.5485 736 A 3.9854 7.7646 120.7624 54.9728 18.4347 179.5204 737 I 3.7564 7.7291 118.3418 64.6614 37.0246 178.4594 738 L 4.1325 7.7957 118.2738 57.7603 41.4923 178.4674 739 N 4.7958 8.1677 113.8939 52.5004 39.1796 174.9830 740 T 4.2078 7.9973 119.6189 62.5432 69.4228 173.7816 741 H 4.1037 8.8324 125.0401 58.2156 29.9468 174.8780 742 G 3.8087 8.8293 113.2171 46.1472 0.0000 173.8587 743 C 4.8401 7.9620 114.3304 59.0372 29.8480 174.6259 744 N 4.5472 7.7436 120.0913 51.9554 36.9681 174.9918 745 I 3.5824 7.3290 117.1289 62.4263 38.0868 177.4857 746 F 4.2363 7.1824 119.5933 57.0186 38.8922 176.9258 747 D 4.2977 7.8183 123.6080 57.7235 40.8358 177.3994 748 H 4.7574 8.0563 113.0873 56.6391 29.3960 175.6451 749 F 4.5812 8.1279 118.7963 57.2239 39.5428 175.9204 750 S 4.4563 8.5582 118.4134 58.3027 64.9175 175.4789 751 R 4.0553 8.6504 121.7825 59.7245 29.8325 179.5063 752 K 4.0837 8.0394 117.5615 59.6405 32.1194 179.0466 753 D 4.4663 8.2498 118.9252 57.0312 40.6239 177.9536 754 Y 3.9892 8.7338 120.8500 61.0278 38.8784 178.1971 755 Q 4.0050 8.4497 118.7288 58.8912 28.7894 178.9375 756 R 3.8189 8.0683 119.6449 59.6882 30.0883 178.2035 757 M 3.7773 8.1859 118.1178 58.4678 32.0599 178.0578 758 L 3.9947 7.6882 119.1192 58.0279 41.9477 179.0412 759 D 4.2325 8.4811 118.9742 57.6134 40.7562 179.2331 760 L 3.9889 8.2247 119.5855 57.7952 41.5356 179.4055 761 M 4.2083 8.0229 120.0505 57.9139 32.1131 178.5708 762 R 3.3212 7.6778 118.9744 59.5625 30.1043 178.2763 763 D 4.3139 7.8360 118.2179 57.1749 40.5744 178.8486 764 I 3.8005 7.6679 119.5151 64.0970 37.5385 177.8628 765 I 3.8969 7.9069 120.9448 64.6258 37.1779 177.8029 766 L 3.9239 7.7883 120.1356 58.5010 41.5997 178.9920 767 A 3.7990 7.5689 118.6390 54.7750 18.2543 179.3511 768 T 4.0727 7.7207 114.2670 65.5520 68.8924 174.3648 769 D 4.6311 7.3070 119.3270 53.9436 41.5672 177.3018 770 L 4.1463 8.6449 126.5849 57.7805 41.5965 179.4169 771 A 4.0821 8.5588 120.9324 54.9638 18.3813 179.1418 772 H 4.0868 8.3657 117.2070 59.6478 29.4324 176.8860 773 H 4.2534 8.2792 119.5790 59.5053 29.5351 177.1067 774 L 3.9605 7.9610 119.5899 57.5806 41.4570 179.1407 775 R 4.0839 7.7851 118.0310 58.5499 30.2439 177.5648 776 I 4.2832 7.4493 110.5511 60.7264 37.8687 177.0940 777 F 3.9522 7.8132 123.6083 61.6119 39.1467 176.8647 778 K 3.9169 8.2077 118.6820 59.7964 32.0239 178.2680 779 D 4.3267 8.0483 118.5464 57.1839 40.7753 178.5372 780 L 3.8925 7.9427 119.6972 57.7751 41.6116 179.4221 781 Q 3.7628 7.9909 118.2750 58.8391 28.5779 179.0275 782 K 3.8724 8.2011 120.7415 59.6522 32.2343 178.2654 783 M 3.8725 8.0779 118.2412 58.8355 31.8654 178.1446 784 A 3.9493 7.7905 119.5060 54.8527 18.5245 178.9604 785 E 3.9468 7.8473 117.4369 59.7110 29.9272 179.3609 786 V 3.7859 7.9437 112.0013 61.6258 31.9136 177.2731 787 G 3.8780 7.9160 106.7654 45.5780 0.0000 172.8003 788 Y 4.0551 8.4699 124.5431 58.1995 39.2399 175.2977 789 D 4.4789 7.8407 124.8966 51.9057 42.3546 175.8210 790 R 3.7363 8.3360 127.5503 58.6733 30.1136 176.7339 791 N 4.5959 8.4868 113.4206 53.4453 39.3533 174.6622 792 N 4.6347 8.0060 119.1031 52.1613 40.1576 175.5466 793 K 4.0493 8.5604 127.9965 59.5742 32.2037 179.3097 794 Q 4.0611 8.4834 118.5934 59.1714 28.5527 178.2859 795 H 4.2708 8.5224 116.7975 59.2274 28.6803 177.1658 796 H 4.3641 8.2705 117.3456 59.1622 28.6799 177.9310 797 R 3.9960 8.0668 119.5238 59.3358 29.9396 179.0858 798 L 4.0151 8.3783 119.0198 57.7886 41.6878 179.2917 799 L 3.9874 8.4444 120.5450 58.3071 41.9974 178.9464 800 L 4.1221 8.2781 118.9529 58.0016 41.5041 179.2097 801 C 4.1277 8.1162 116.4807 62.8166 28.0785 175.6201 802 L 3.9460 8.0822 121.6898 58.5691 41.6263 179.2398 803 L 4.0162 8.4981 118.9819 57.7851 41.5301 179.1619 804 M 4.0478 8.2841 118.5616 58.9473 32.3712 178.4587 805 T 3.9045 8.0895 109.9485 64.9049 68.6083 176.5658 806 S 3.8681 8.0603 117.5807 61.4928 63.0837 176.1965 807 C 4.4065 8.1760 119.5230 62.8839 27.7189 175.6006 808 D 4.3885 8.0232 118.5132 56.5551 40.9293 177.2591 809 L 4.6203 7.5380 117.5162 54.5925 42.0075 178.3232 810 S 3.7406 7.6125 117.8481 59.7987 62.5692 175.5508 811 D 4.3739 8.1147 122.8825 57.7377 40.2880 177.8436 812 Q 4.3810 8.0546 115.8201 56.7115 28.9866 176.9642 813 T 4.1752 7.2580 110.1881 62.5993 69.7274 174.6386 814 K 4.4681 7.5688 122.1974 55.1405 34.7093 176.4040 815 G 3.8499 8.3609 107.7504 45.8500 0.0000 174.2587 816 W 4.4328 9.0004 129.6503 60.4776 30.5016 178.3836 817 K 3.3816 7.9172 117.7384 59.8192 31.6777 179.1458 818 T 3.7583 7.6213 117.2261 66.8988 68.3405 176.6286 819 T 3.9477 7.8031 117.1434 66.6409 68.5093 176.3515 820 R 3.8757 7.2949 120.3381 59.2819 30.0538 178.3384 821 K 3.8637 7.9856 119.4999 59.7058 32.1854 178.7582 822 I 3.8252 8.2518 120.1505 64.1964 37.1571 177.9935 823 A 4.0999 8.6210 123.5730 54.5789 18.1243 179.6017 824 E 3.9775 8.3236 115.8747 59.4872 29.6247 179.1238 825 L 4.0473 8.1721 120.0446 57.7043 41.6395 179.4241 826 I 3.5160 7.8318 118.3773 64.1176 37.7919 177.4680 827 Y 3.8483 8.0009 117.2461 61.1893 37.5486 178.8852 828 K 4.1126 8.4122 118.3862 59.3057 32.3772 178.8819 829 E 4.0604 8.3309 119.7619 59.4083 29.4733 178.7383 830 F 3.7392 8.0362 119.9959 60.9397 39.4896 175.7603 831 F 4.1385 7.5470 116.6991 57.8782 39.2785 176.5491 832 S 4.4836 7.3547 117.9324 57.4541 60.8364 172.0573 833 Q 4.0493 6.9859 122.4767 57.6106 31.7063 173.8093 *837 E 3.9809 7.8209 117.0078 55.2291 30.6793 175.5424 838 K 3.8498 8.7361 127.2037 56.2815 32.6502 176.2379 839 A 4.1239 8.4837 129.0459 52.3064 19.1295 176.0892 840 M 4.1529 8.3261 119.5379 56.4268 33.0792 177.0371 841 G 3.8942 8.6886 112.9891 44.1571 0.0000 172.8514 842 N 4.2090 7.5102 116.5590 54.5461 37.5083 176.0307 843 R 4.5498 7.8409 117.8173 52.7482 32.4317 174.6536 844 P 4.2872 0.0000 0.0000 65.8639 31.2778 177.9099 845 M 3.8765 8.1055 118.1503 58.5303 31.7590 178.2546 846 E 3.9676 7.7403 116.7612 60.0865 29.7538 179.6185 847 M 4.1155 7.8233 117.8411 58.1011 32.1215 178.2791 848 M 3.7823 7.8838 118.6411 58.8322 31.9648 178.1295 849 D 4.4284 7.8439 118.8432 57.2729 40.7228 178.8801 850 R 4.0952 7.5957 117.7542 58.7231 30.2648 178.1966 851 E 4.3077 8.2227 119.4757 59.0752 29.6905 178.6954 852 K 4.0466 8.2189 117.9696 58.6356 31.9318 179.1123 853 A 4.0518 7.5817 120.1641 55.0522 18.5788 178.5299 854 Y 4.1543 8.1137 113.6817 59.1372 38.0242 177.5843 855 I 3.4221 7.5059 122.3074 64.0489 37.1535 175.8796 856 P 3.9830 0.0000 0.0000 65.8131 31.2269 178.2907 857 E 3.9786 8.1842 116.4654 59.6569 29.4143 179.4564 858 L 4.0294 7.8717 118.8295 57.7384 41.5752 179.3655 859 Q 3.9099 8.2912 120.0615 58.8611 28.7777 178.2702 860 I 3.7037 7.9151 121.2239 64.5853 37.3199 178.1948 861 S 4.2566 8.2215 113.9090 61.5427 62.1119 176.1466 862 F 4.3635 8.2582 123.3667 61.3706 39.0951 177.1913 863 M 3.8004 8.4353 118.6963 58.5424 31.6023 178.7105 864 E 3.9444 8.4477 117.7038 58.9501 29.7357 178.1718 865 H 4.7733 7.8946 113.1329 55.9442 29.3289 174.9097 866 I 4.3118 7.2631 119.0941 62.3071 39.9294 177.4155 867 A 3.8308 7.6627 121.3061 55.4444 18.2004 179.5442 868 M 4.2163 8.1268 117.2505 58.2923 32.0397 177.0348 869 P 4.3668 0.0000 0.0000 65.8742 31.4860 178.4795 870 I 3.6444 7.4813 117.3420 64.7613 36.5148 177.9361 871 Y 4.2980 7.9442 116.5027 60.0021 37.7523 177.9369 872 K 3.5791 8.5957 121.6986 59.0036 32.2244 178.6180 873 L 3.8667 8.0559 119.4897 57.8629 41.5139 179.3105 874 L 4.0900 7.8523 118.6655 58.2070 41.4247 179.5740 875 Q 3.9505 7.8779 117.8003 59.3133 29.0003 177.7039 876 D 4.4212 8.0162 119.5361 56.9591 40.8513 178.2486 877 L 4.2147 7.5765 118.5555 55.4612 42.2895 176.7995 878 F 4.7009 8.5691 120.1600 54.4932 40.1439 173.6623 879 P 4.2902 0.0000 0.0000 65.7249 30.9674 178.2005 880 K 4.2533 8.1461 114.2259 58.0149 32.4336 177.7859 881 A 4.3457 8.3477 121.2235 52.2552 18.6058 178.7152 882 A 4.0549 8.2191 121.9049 55.4119 18.4846 179.9369 883 E 4.0692 8.3009 115.3910 59.5499 29.4370 179.3782 884 L 3.7218 7.6740 119.6024 57.5898 41.5891 178.6882 885 Y 4.1337 7.9316 118.9239 60.9518 38.9302 177.7490 886 E 3.7396 8.3817 119.3773 59.1391 29.3585 179.5376 887 R 3.7958 7.7767 119.0013 59.4146 30.2062 178.7293 888 V 3.5667 7.6564 117.7837 65.7872 31.3841 177.8820 889 A 3.7887 7.7734 120.9442 54.9741 18.1443 179.5919 890 S 3.9538 7.9891 111.7340 61.4766 62.4785 176.1010 891 N 4.4950 8.4648 119.7743 56.3269 38.3809 177.4905 892 R 4.3492 8.3089 116.9723 58.6620 29.5320 178.8313 893 E 3.8836 8.0190 120.1969 59.8342 29.2532 178.8131 894 H 3.7158 7.5607 114.8387 58.3453 28.7452 177.5783 895 W 4.4630 8.0961 121.0489 60.0179 28.7110 178.6410 896 T 3.9453 7.7121 108.3759 64.5567 68.2686 175.9915 897 K 4.0761 7.7797 120.6191 56.6376 32.1838 176.1354 898 V 4.3479 7.4306 119.3212 61.6884 32.7662 175.3958 899 S 4.1869 8.4492 120.9536 58.8207 62.5642 173.8483 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 579 D 8.22 4.61 0.00 2.74 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 0.00 580 D 7.94 4.28 0.00 2.84 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 581 E 8.33 4.17 0.00 2.24 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 2.36 2.36 0.00 582 Y 7.91 4.13 0.00 3.06 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 0.00 583 T 7.63 3.83 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 584 K 7.70 3.97 0.00 1.86 1.92 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.58 7.81 585 L 7.67 3.92 0.00 1.72 1.61 0.95 0.85 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 0.00 586 L 7.32 3.74 0.00 1.38 1.40 0.77 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 587 H 7.67 4.44 0.00 3.22 3.30 0.00 5.65 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 588 D 8.35 4.48 0.00 2.75 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 589 G 7.57 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 590 I 7.99 4.02 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.58 0.94 0.00 0.00 591 Q 8.34 4.44 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.95 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 592 P 0.00 4.46 0.00 2.18 2.14 0.00 3.67 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 2.03 1.92 0.00 593 V 8.62 3.26 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 0.89 0.00 0.00 594 A 7.90 4.11 1.30 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 0.00 595 A 8.05 4.42 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 0.00 596 I 7.52 3.73 1.18 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.22 0.67 0.00 0.00 597 D 7.42 4.44 0.00 2.79 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 0.00 598 S 9.11 4.21 0.00 4.05 4.02 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 0.00 599 N 8.89 4.91 0.00 2.96 3.01 0.00 0.00 6.64 7.26 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 0.00 600 F 8.20 2.94 0.00 2.98 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 0.00 601 A 7.97 4.59 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 0.00 602 S 7.89 4.61 0.00 3.86 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 0.00 603 F 8.47 4.61 0.00 3.26 3.03 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 0.00 604 T 8.31 4.18 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 605 Y 8.04 4.11 0.00 3.21 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 0.00 606 T 7.31 4.28 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 1.14 0.00 0.00 607 P 0.00 4.35 0.00 2.13 2.06 0.00 3.63 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 608 R 7.83 4.17 0.00 1.78 2.01 0.00 3.18 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 609 S 7.76 4.48 0.00 3.82 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 0.00 610 L 7.75 4.36 0.00 1.94 1.76 1.13 1.07 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 0.00 611 P 0.00 4.33 0.00 2.22 1.97 0.00 3.71 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 612 E 8.97 3.93 0.00 2.05 1.99 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 2.46 2.58 0.00 613 D 8.12 4.47 0.00 2.68 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 0.00 614 D 7.87 4.78 0.00 2.81 2.66 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 0.00 615 T 7.74 3.53 3.43 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 0.69 0.00 0.00 616 S 8.03 4.24 0.00 3.90 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 0.00 617 M 8.20 4.01 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.61 0.00 618 A 7.85 4.02 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 619 I 8.30 4.05 2.38 0.00 0.00 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 2.34 1.48 1.37 0.00 0.00 620 L 8.02 4.12 0.00 1.92 1.77 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 621 S 8.45 4.12 0.00 3.89 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 622 M 8.09 3.74 0.00 1.92 2.32 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 1.82 0.00 623 L 7.87 3.85 0.00 1.75 1.77 1.21 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 624 Q 8.15 3.88 0.00 2.12 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 625 D 8.00 4.54 0.00 2.82 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 626 M 7.81 3.68 0.00 0.78 1.71 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 1.51 0.00 627 N 8.36 4.36 0.00 2.78 2.65 0.00 0.00 7.14 7.71 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 0.00 628 F 7.51 4.54 0.00 3.10 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 0.00 629 I 7.67 3.73 1.89 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 1.59 0.85 0.95 0.00 0.00 630 N 8.11 4.24 0.00 2.76 2.77 0.00 0.00 6.73 6.71 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 0.00 631 N 7.89 4.24 0.00 2.61 2.61 0.00 0.00 7.31 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 0.00 632 Y 7.72 4.71 0.00 3.34 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 633 K 7.90 3.90 0.00 1.98 1.89 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.44 7.81 634 I 7.85 3.93 1.97 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.74 0.97 0.00 0.00 635 D 8.83 4.43 0.00 2.85 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 0.00 636 C 8.71 4.17 0.00 3.02 2.96 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 0.00 637 P 0.00 4.34 0.00 2.35 2.23 0.00 3.78 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 2.15 2.20 0.00 638 T 8.07 4.14 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 639 L 8.25 4.02 0.00 1.93 1.91 1.08 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 640 A 8.18 4.08 1.49 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 0.00 641 R 8.35 3.86 0.00 2.05 1.93 0.00 3.31 0.00 0.00 2.92 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.85 0.00 642 F 8.52 4.03 0.00 3.19 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 643 C 8.40 3.97 0.00 3.26 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 0.00 644 L 8.15 3.79 0.00 2.02 1.62 0.86 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 645 M 7.79 3.86 0.00 1.83 2.08 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 646 V 7.27 3.51 2.04 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 0.04 0.00 0.00 0.76 0.00 0.00 647 K 7.21 2.96 0.00 0.79 1.42 0.00 1.13 0.00 0.00 1.11 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.86 0.21 7.81 648 K 7.58 4.13 0.00 1.79 1.93 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.37 7.81 649 G 7.64 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 650 Y 6.97 3.86 0.00 3.40 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 0.00 651 R 8.47 4.39 0.00 1.89 1.96 0.00 3.17 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 652 D 8.19 5.07 0.00 2.78 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 0.00 653 P 0.00 4.60 0.00 2.54 2.17 0.00 3.98 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 654 P 0.00 4.36 0.00 2.32 2.25 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.15 0.00 655 Y 7.77 4.48 0.00 2.88 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 0.00 656 H 8.24 4.28 0.00 3.12 3.22 0.00 5.89 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 657 N 7.04 5.37 0.00 2.96 3.11 0.00 0.00 5.73 8.88 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 0.00 658 W 8.78 3.57 0.00 3.31 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 0.00 659 M 8.05 3.61 0.00 1.99 2.18 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.76 0.00 660 H 8.22 3.79 0.00 2.70 3.19 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 661 A 7.25 3.65 0.91 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 0.00 0.00 0.00 0.00 0.00 662 F 7.55 3.46 0.00 1.74 2.62 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 0.00 663 S 7.91 3.75 0.00 3.98 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 0.00 664 V 7.60 3.48 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 0.90 0.00 0.00 0.71 0.00 0.00 665 S 7.98 3.73 0.00 3.74 3.32 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 0.00 666 H 8.06 4.14 0.00 2.50 3.14 0.00 5.58 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 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8.06 4.06 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.93 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 709 V 7.71 3.84 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.97 0.00 0.00 710 A 8.12 4.10 1.27 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 0.00 0.00 711 S 7.75 4.06 0.00 4.19 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 0.00 712 K 8.09 4.32 0.00 1.86 1.81 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.85 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.32 1.40 7.81 713 S 7.49 4.52 0.00 3.90 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 714 V 8.46 3.49 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 0.79 0.00 0.00 0.88 0.00 0.00 715 L 7.81 3.76 0.00 1.65 1.33 0.83 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 716 A 8.49 4.14 1.72 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 832 S 7.35 4.48 0.00 3.99 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 0.00 833 Q 6.99 4.05 0.00 1.75 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.54 0.00 0.00 0.00 0.00 0.00 2.08 2.28 0.00 *837 E 7.82 3.98 0.00 2.00 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 2.19 2.31 0.00 838 K 8.74 3.85 0.00 1.75 1.72 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.44 7.81 839 A 8.48 4.12 1.24 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 0.00 0.00 840 M 8.33 4.15 0.00 2.03 1.93 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 2.66 2.48 0.00 841 G 8.69 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 842 N 7.51 4.21 0.00 2.77 2.82 0.00 0.00 6.95 7.54 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 0.00 843 R 7.84 4.55 0.00 1.78 1.77 0.00 3.18 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.54 0.00 844 P 0.00 4.29 0.00 2.22 2.27 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 845 M 8.11 3.88 0.00 2.03 2.18 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 2.70 2.60 0.00 846 E 7.74 3.97 0.00 2.25 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 2.33 2.41 0.00 847 M 7.82 4.12 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.66 0.00 848 M 7.88 3.78 0.00 2.20 2.05 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 849 D 7.84 4.43 0.00 2.93 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 0.00 850 R 7.60 4.10 0.00 1.94 2.11 0.00 3.20 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 851 E 8.22 4.31 0.00 2.37 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 2.26 2.76 0.00 852 K 8.22 4.05 0.00 2.05 1.83 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.54 7.81 853 A 7.58 4.05 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 0.00 854 Y 8.11 4.15 0.00 3.07 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 0.00 855 I 7.51 3.42 1.81 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 -0.05 0.54 0.00 0.00 856 P 0.00 3.98 0.00 2.24 2.43 0.00 3.81 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.61 0.00 857 E 8.18 3.98 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 858 L 7.87 4.03 0.00 1.83 1.67 1.05 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 859 Q 8.29 3.91 0.00 1.50 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.70 0.00 860 I 7.92 3.70 2.03 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.64 0.95 0.00 0.00 861 S 8.22 4.26 0.00 3.96 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 862 F 8.26 4.36 0.00 3.15 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 863 M 8.44 3.80 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 3.11 0.00 864 E 8.45 3.94 0.00 1.91 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 2.32 2.34 0.00 865 H 7.89 4.77 0.00 3.24 3.29 0.00 5.79 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 866 I 7.26 4.31 1.81 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 1.38 1.61 0.82 0.00 0.00 867 A 7.66 3.83 1.01 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 0.00 868 M 8.13 4.22 0.00 2.29 2.27 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.57 0.00 869 P 0.00 4.37 0.00 2.31 2.40 0.00 3.67 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.27 0.00 870 I 7.48 3.64 1.71 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.74 0.18 0.00 0.00 871 Y 7.94 4.30 0.00 3.35 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 872 K 8.60 3.58 0.00 1.38 1.67 0.00 1.47 0.00 0.00 1.54 0.00 0.00 3.08 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.14 0.75 7.81 873 L 8.06 3.87 0.00 1.85 1.63 0.57 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 874 L 7.85 4.09 0.00 1.96 1.87 1.05 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 875 Q 7.88 3.95 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.98 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 876 D 8.02 4.42 0.00 2.75 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 877 L 7.58 4.21 0.00 1.36 0.68 0.81 0.64 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 0.00 878 F 8.57 4.70 0.00 2.93 2.88 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 0.00 0.00 0.00 879 P 0.00 4.29 0.00 2.21 2.16 0.00 3.68 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 2.16 2.22 0.00 880 K 8.15 4.25 0.00 1.80 1.95 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.22 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.58 7.81 881 A 8.35 4.35 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 882 A 8.22 4.05 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 0.00 883 E 8.30 4.07 0.00 2.24 2.30 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 2.40 2.37 0.00 884 L 7.67 3.72 0.00 1.79 1.45 0.81 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 885 Y 7.93 4.13 0.00 3.28 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 886 E 8.38 3.74 0.00 2.06 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 2.35 2.39 0.00 887 R 7.78 3.80 0.00 2.00 1.89 0.00 3.14 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 888 V 7.66 3.57 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 0.92 0.00 0.00 0.56 0.00 0.00 889 A 7.77 3.79 0.99 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 0.00 0.00 890 S 7.99 3.95 0.00 4.05 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 891 N 8.46 4.49 0.00 3.00 3.13 0.00 0.00 6.78 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 892 R 8.31 4.35 0.00 2.16 2.38 0.00 2.83 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 893 E 8.02 3.88 0.00 2.07 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 0.00 2.38 2.39 0.00 894 H 7.56 3.72 0.00 2.49 1.44 0.00 5.66 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 0.00 895 W 8.10 4.46 0.00 3.56 3.36 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 0.00 896 T 7.71 3.95 4.26 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 1.31 0.00 0.00 897 K 7.78 4.08 0.00 1.77 1.86 0.00 1.60 0.00 0.00 1.43 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.34 7.81 898 V 7.43 4.35 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.90 0.00 0.00 899 S 8.45 4.19 0.00 3.97 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.