NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 609 V 4.0871 7.9133 120.2997 61.9225 33.4221 176.7594 610 H 4.8979 7.9418 114.9029 55.4810 28.8821 172.7653 611 E 3.7733 8.8704 122.0027 58.3304 30.7474 176.8229 612 F 4.8568 8.1389 114.0466 56.6889 40.3658 174.1671 613 A 4.8861 7.6076 124.0171 49.9422 21.7370 175.8296 614 K 4.3653 8.5813 123.0112 56.2805 33.4399 175.9061 615 E 4.6020 8.7716 126.5323 56.0803 30.0032 175.8719 616 L 4.5437 8.9468 127.8390 53.5987 43.5979 176.1408 617 D 4.4892 8.5350 121.5235 53.2633 41.7376 177.1478 618 A 4.0337 8.7083 130.3898 55.0554 18.6261 179.1423 619 T 3.9753 7.9706 105.5114 64.3183 69.0275 175.0005 620 N 4.6397 8.4236 118.8955 53.6571 39.0316 173.9804 621 I 5.0831 7.5236 120.3021 59.2810 39.5380 175.1133 622 S 4.7463 9.0944 121.8449 56.5617 65.5345 172.8949 623 I 4.5765 8.4490 125.3824 60.1755 37.5757 175.0358 624 D 4.9365 8.7901 126.4877 54.2630 43.3403 176.5740 625 K 4.3650 7.5648 117.0660 55.3035 35.6642 174.1406 626 V 4.1358 8.5742 127.8003 63.0041 31.6726 175.6822 627 V 4.0719 8.7492 121.4516 62.3081 33.3342 176.2729 628 G 3.8572 7.1268 105.3024 45.9301 0.0000 170.3532 629 A 4.8730 8.7185 122.3239 50.3533 20.8379 176.9969 630 G 4.2068 8.9865 112.9024 43.4633 0.0000 173.7458 631 E 3.6347 8.8043 118.9370 58.5619 29.7032 177.6916 632 F 4.7330 9.1436 114.7788 56.5071 40.6057 176.1231 633 G 3.8251 6.5068 106.6347 45.7565 0.0000 171.6442 634 E 4.7238 8.1047 119.3685 56.1325 31.4600 175.8716 635 V 4.8881 8.9594 122.1048 61.5307 34.3970 174.3663 636 C 5.5148 9.6406 124.9001 57.9772 32.7637 172.6672 637 S 5.0668 8.7508 114.2925 57.0837 65.9845 173.8200 638 G 4.2702 8.1721 106.1650 46.8164 0.0000 172.1797 639 R 5.2909 8.5628 119.8718 54.3574 34.9996 174.2322 640 L 5.1094 8.9384 124.4072 53.1412 45.1614 174.8659 641 K 4.7547 9.0460 128.5098 55.1585 32.9865 176.5131 642 L 4.4019 9.1138 128.2000 53.3113 42.6128 176.2773 643 P 4.2700 0.0000 0.0000 65.8019 31.2237 178.1581 644 S 4.2146 7.8513 110.1928 59.0579 63.0535 175.0263 645 K 4.1152 8.2885 120.7445 56.1097 31.0726 176.7009 646 K 4.0453 7.6799 120.6365 56.4332 32.6651 174.8050 647 E 5.2861 8.6353 124.9133 54.5926 31.4594 175.2556 648 I 4.7164 8.5826 117.2896 58.8978 41.3448 174.9186 649 S 4.8742 8.5837 119.4303 58.8204 63.6523 173.9796 650 V 4.7590 8.9142 115.7711 59.7655 36.5060 174.0430 651 A 4.9685 8.8882 124.6434 50.9678 21.0945 176.5142 652 I 4.8719 8.9451 121.8826 59.6037 40.7905 174.5393 653 K 5.1727 9.2389 127.8313 54.9219 34.0289 175.7891 654 T 5.1485 8.7837 114.7363 59.7221 72.0009 172.8326 655 L 4.0589 8.0852 126.2613 53.5741 43.0588 176.6774 656 K 4.1253 9.0863 126.1393 56.9063 33.7488 176.6351 657 V 3.7362 8.2900 121.8526 64.3951 32.0263 176.0829 658 G 3.7884 8.8015 114.2711 45.9130 0.0000 173.0914 659 Y 4.4504 7.0778 116.0527 56.9978 38.5465 176.8335 660 T 4.3483 8.9604 112.8216 60.9410 71.5010 175.5674 661 E 4.0706 8.6906 121.8834 59.3645 29.5302 178.8458 662 K 3.9724 8.0874 119.1525 59.6712 32.2851 178.5473 663 Q 4.2309 8.2916 118.3129 59.1013 28.6220 178.9171 664 R 3.6897 8.2373 119.6123 59.3180 30.0415 178.7911 665 R 3.8931 8.1777 117.8725 59.4878 30.0049 178.8504 666 D 4.3455 8.3691 118.9026 57.1542 40.6058 178.4651 667 F 3.3117 7.8861 121.2436 61.2590 39.3117 177.3324 668 L 3.7875 8.1989 118.5116 57.1983 41.3741 179.6339 669 G 3.5952 8.3193 106.5533 47.8515 0.0000 175.5883 670 E 3.9678 7.8365 120.7268 59.0621 29.3700 179.2576 671 A 3.8303 7.2306 120.4626 55.0646 18.1733 179.5116 672 S 4.0114 7.9058 110.7779 61.5456 62.7240 176.3494 673 I 3.3373 7.4798 122.2607 64.4570 36.8869 177.9590 674 M 3.5851 7.9283 119.3396 58.5354 31.7887 178.3633 675 G 4.1141 7.8702 105.8788 46.6535 0.0000 175.0215 676 Q 3.7151 7.1499 118.8404 56.2480 29.0161 175.7816 677 F 5.0245 6.9554 119.0690 55.7874 40.5872 175.3672 678 D 4.6611 8.7348 123.4021 52.9512 42.4006 173.4779 679 H 4.6581 8.1992 124.4107 53.6121 32.8732 172.6687 680 P 4.3229 0.0000 0.0000 64.9892 31.4317 176.7063 681 N 4.9680 8.3348 115.6463 52.7183 39.0907 173.1072 682 I 4.9603 7.4513 118.6558 58.9509 39.9643 175.4936 683 I 3.8326 8.5564 127.2315 61.8740 38.6703 175.0134 684 R 4.2817 9.2276 130.3654 55.4862 31.2185 174.8606 685 L 4.4547 8.5020 129.3990 55.0149 41.9803 176.2410 686 E 4.1553 9.3483 127.5261 56.8914 30.5080 177.4232 687 G 3.9686 6.9254 105.4921 45.3866 0.0000 170.9285 688 V 4.8137 8.0368 111.7610 59.4256 35.5682 175.1480 689 V 4.7824 8.6460 121.4886 61.5817 32.7083 176.0367 690 T 4.4030 9.5182 117.4485 62.1807 70.5642 175.7150 691 K 4.1864 8.4025 118.8979 57.0292 32.4061 176.0742 692 S 4.7833 7.4918 112.9413 56.5408 66.2495 173.2094 693 K 4.8101 8.2232 119.4184 53.5458 35.0112 174.7798 694 P 4.4485 0.0000 0.0000 62.4236 32.1749 176.3645 695 V 4.0450 8.0631 120.2867 63.5836 32.8530 174.5620 696 M 5.5184 9.1909 125.3979 53.7651 36.6968 174.0630 697 I 4.6668 9.0272 122.9086 59.4355 40.4577 174.6218 698 V 4.8942 8.7904 127.1509 61.3384 33.8562 174.4533 699 T 5.2459 8.7701 117.7084 58.7153 72.2624 175.1731 700 E 4.5204 8.6102 119.6998 56.0253 31.7886 179.4553 *702 M 4.1410 8.7009 117.3369 54.6577 32.0839 175.2474 703 E 3.9127 8.6524 125.2551 58.8204 30.0073 177.3724 704 N 4.6294 7.9402 113.6621 52.3192 39.4507 177.2164 705 G 3.8311 7.8707 107.7667 45.9961 0.0000 173.3880 706 S 4.6573 8.3623 116.4031 58.2275 64.7940 174.8320 707 L 4.0953 8.8340 128.0515 58.1370 42.0292 179.2959 708 D 4.4336 8.1108 119.0082 56.6738 39.2630 178.6483 709 S 4.2227 8.0639 114.4304 60.6836 63.4213 175.6775 710 F 4.4649 8.5204 124.2898 61.3745 39.1868 177.2317 711 L 4.1886 8.5234 118.8292 57.8419 41.1565 179.7180 712 R 4.1022 7.9511 117.3952 59.0030 30.0584 178.6119 713 K 4.1503 7.6679 116.0224 57.7907 32.6472 176.6190 714 H 4.9157 8.0734 117.0184 53.2699 29.8557 173.0026 715 D 3.6622 8.1816 118.2559 55.5806 41.2600 175.2848 716 A 3.2318 5.8000 127.5287 53.1526 15.7189 177.4783 717 Q 4.2211 7.3703 117.5341 57.2041 29.8182 175.7201 718 F 5.2097 7.8674 116.6726 55.7512 41.5702 176.1155 719 T 4.3731 8.9130 113.7382 61.2512 70.8903 176.0566 720 V 3.6215 8.3267 121.2182 66.3436 31.5137 178.1401 721 I 3.7150 7.7466 117.8655 63.8868 37.8820 177.7673 722 Q 3.9480 8.1597 119.1150 58.9800 28.6234 178.6969 723 L 3.8738 7.9005 119.9305 57.8262 41.5964 179.8354 724 V 3.7134 8.2635 118.7003 65.7146 31.4355 178.1317 725 G 3.6920 8.2309 105.6581 48.1669 0.0000 175.4356 726 M 4.0083 7.8833 121.1289 58.1615 31.9830 178.9459 727 L 4.0784 7.9818 119.0327 57.7349 41.7671 179.5603 728 R 4.0270 8.6007 119.3604 59.2307 29.9605 178.7633 729 G 3.6370 8.0624 105.5018 47.9488 0.0000 175.6592 730 I 3.7110 7.8168 122.4446 64.0288 37.0757 178.4213 731 A 3.7498 8.3317 121.6393 55.0795 18.2310 179.6908 732 S 4.1062 8.3082 111.8755 61.3607 62.4151 176.6041 733 G 3.4223 8.2036 108.5761 48.0847 0.0000 175.6282 734 M 3.6073 7.8981 121.3181 57.5167 31.6207 178.6649 735 K 3.8711 7.9611 120.2271 59.7033 32.3588 178.2689 736 Y 4.1378 7.7586 119.4948 60.5152 38.8092 177.3652 737 L 3.6920 7.8905 121.7428 58.1420 42.1380 179.1933 738 S 4.3631 8.2407 114.3967 61.5956 62.8050 175.9943 739 D 4.4301 8.1500 121.8476 57.2199 40.6506 177.9009 740 M 4.3280 7.7001 116.3220 55.1980 32.3905 177.0905 741 G 3.8473 8.1608 108.3951 45.6192 0.0000 172.3430 742 Y 4.7939 7.7382 116.5135 56.0067 39.7058 175.2529 743 V 4.5628 8.3554 123.8084 61.4155 33.1826 175.9904 744 H 4.0911 10.1908 128.0545 59.0248 29.8523 177.6268 745 R 4.3031 8.7546 114.4391 56.7376 28.9158 175.7914 746 D 4.7682 7.8138 117.0756 53.2727 41.6079 175.2206 747 L 3.9050 8.2768 120.3826 54.6058 42.3903 175.2614 748 A 4.5675 7.9327 127.2215 50.5402 22.0714 176.5080 749 A 4.0681 9.3610 123.9427 55.0994 18.6112 180.6512 750 R 4.5234 7.7725 110.5257 58.2441 29.8674 176.8810 751 N 4.7475 8.3051 115.5652 52.9454 39.9487 174.0562 752 I 4.8307 7.5881 121.4111 59.6530 39.4491 174.8310 753 L 5.1399 8.6500 126.4061 53.0882 44.8991 175.2648 754 I 4.8980 8.3811 121.3637 59.4135 41.5340 174.8826 755 N 5.1799 8.5385 127.3855 51.3232 39.6652 175.8235 756 S 4.0827 8.7171 112.3910 61.1646 62.9543 174.6645 757 N 4.6442 8.2053 116.0730 52.5501 38.3931 174.9516 758 L 3.4669 7.7358 116.3102 55.2684 39.9339 174.3679 759 V 3.7932 7.8756 120.3780 63.0343 32.3277 174.6702 760 C 5.2430 8.5752 125.4024 58.3970 30.1031 173.3250 761 K 4.7538 8.8185 121.3326 54.5570 36.5843 175.8528 762 V 4.0039 8.8296 125.4504 63.1386 32.6855 175.2503 763 S 4.5649 7.8900 121.2607 57.9781 66.3781 172.1221 764 D 4.1001 8.4539 118.0565 55.3205 38.2689 172.7056 765 F 4.6900 7.3559 119.4021 55.8972 39.5311 178.3367 766 G 3.6990 8.2075 113.2398 48.1910 0.0000 175.1516 767 L 4.4596 7.5777 116.4923 54.4317 42.5425 176.8141 768 S 4.7524 7.6322 116.1271 58.8532 64.1199 173.6075 769 R 4.7428 8.8627 121.2522 54.2295 34.5453 174.8867 770 V 3.4547 8.1769 121.9873 62.7113 32.4770 176.3913 771 L 4.0521 8.3191 127.9279 54.5644 40.1495 176.8249 *785 K 4.3180 8.4813 122.4269 56.0417 34.0328 176.9735 786 I 3.9040 7.6522 117.9205 60.0693 38.5238 174.1806 787 P 4.7229 0.0000 0.0000 61.7197 30.4427 176.4124 788 I 3.7303 8.5209 127.6358 65.1125 37.3180 178.9961 789 R 3.6935 8.1637 117.1036 58.1425 29.8906 177.2860 790 W 4.7385 8.7525 116.2022 56.7325 30.0347 175.5858 791 T 4.7323 7.6157 115.8869 61.7088 69.6599 175.5652 792 S 2.7900 8.0414 120.1578 57.0994 64.9490 173.6983 793 P 3.8946 0.0000 0.0000 65.5809 31.0759 178.8822 794 E 3.9088 7.7324 115.7296 59.1002 29.5937 178.9616 795 A 3.3240 7.2994 121.6231 54.6836 18.0493 179.6664 796 I 3.5399 7.2718 117.1552 64.2574 37.1921 178.3240 797 A 4.2592 7.8364 121.1835 54.7289 17.1574 179.2112 798 Y 4.7235 7.9544 114.9277 56.7051 38.4322 175.4429 799 R 3.8988 7.7215 116.3793 58.1176 28.0756 177.6315 800 K 3.8657 6.3401 120.6457 55.2726 30.3491 174.1961 801 F 4.6588 8.1851 121.6374 55.5815 40.5935 175.4609 802 T 4.8219 8.8448 114.9446 59.1082 72.2249 174.9008 803 S 4.3569 8.7456 116.4057 61.5821 62.5962 176.7522 804 A 4.0729 7.9669 124.0667 54.8600 18.0396 179.7594 805 S 4.2846 8.1234 113.0416 61.6533 63.0947 176.4799 806 D 4.6727 8.2751 122.2038 57.1979 40.5765 178.6273 807 V 3.3803 8.0232 118.9540 65.4911 31.5736 177.5119 808 W 4.6670 8.2559 129.5294 60.2558 30.4587 177.8411 809 S 4.7892 8.6347 116.1063 61.4151 62.3292 176.2249 810 Y 4.2140 8.8321 122.5520 60.7040 38.5705 178.2753 811 G 3.3547 8.4586 106.8098 47.8823 0.0000 175.6750 812 I 4.0476 7.9777 121.6350 64.2382 37.0823 178.6582 813 V 3.9396 8.1968 119.3087 65.9304 31.3389 177.7249 814 L 3.7426 7.9744 120.4891 57.8365 41.8842 178.8159 815 W 4.1049 8.3372 128.2232 60.4776 30.6908 177.6635 816 E 4.0248 8.9345 119.0459 59.4951 28.9448 179.6441 817 V 3.4286 8.0753 118.3970 66.3480 31.4754 178.0358 818 M 4.0024 7.7750 116.2940 57.3107 31.8509 177.7937 819 S 4.3638 7.4928 114.5468 56.9675 63.2847 173.5634 820 Y 3.4788 8.6023 118.3721 59.2168 35.7043 171.6303 821 G 3.9645 8.6652 104.1857 45.6318 0.0000 173.8551 822 E 4.0975 7.5047 119.8252 55.8288 30.2290 176.6419 823 R 4.2224 8.6486 124.9173 55.1985 30.7554 174.0921 824 P 3.2398 0.0000 0.0000 64.0601 31.7679 175.5667 825 Y 2.7617 6.5691 118.0386 57.3538 36.3992 170.6083 826 W 3.4566 6.6994 121.8271 58.6598 28.6466 175.2140 827 E 4.7747 9.0324 123.5083 57.1067 29.2845 175.6819 828 M 4.1910 8.0135 118.3762 55.5979 32.7148 177.4503 829 S 4.2322 8.6033 117.7203 58.9904 64.8333 175.5207 830 N 4.2120 8.7986 122.5431 56.7993 38.2909 177.6945 831 Q 3.9393 7.9854 118.7111 59.1043 28.7774 178.5212 832 D 4.2799 7.8544 119.4295 57.0007 41.0066 178.6402 833 V 3.2325 7.8710 119.0892 65.9385 31.4067 178.2005 834 I 3.4945 7.7335 119.4769 64.1893 36.9776 178.4073 835 K 3.8672 8.1435 120.3005 59.3216 32.0612 178.7071 836 A 3.9943 8.2500 121.4328 55.2084 18.3802 179.7170 837 V 3.9193 7.5518 118.0457 65.7657 31.3777 177.6316 838 D 4.3411 7.8012 116.4777 57.4342 41.1413 177.7552 839 E 4.2332 8.2291 117.4385 57.2009 29.8041 177.6530 840 G 4.1027 8.1200 106.9058 45.0110 0.0000 173.2308 841 Y 4.6891 8.2313 118.3773 58.0986 39.1933 175.1642 842 R 4.5469 9.1503 120.9703 53.8737 35.0304 174.7286 843 L 4.0399 7.6132 121.1411 54.4349 41.9646 175.7049 844 P 4.7909 0.0000 0.0000 61.0675 32.5596 174.1173 845 P 3.9739 0.0000 0.0000 61.8243 31.8179 174.7613 846 P 4.2870 0.0000 0.0000 62.2475 31.9326 175.3270 847 M 4.1703 8.4516 120.0234 57.3835 32.3708 175.6503 848 D 4.4085 8.7174 124.2795 55.3252 38.9235 173.0236 849 C 4.2955 7.7797 119.3463 58.0531 32.2900 171.0712 850 P 4.7168 0.0000 0.0000 62.9877 32.5176 176.8173 851 A 4.2564 9.2985 125.8073 54.7823 18.3264 179.9501 852 A 3.9501 8.0614 118.4451 55.4456 18.4380 179.6950 853 L 3.9908 7.8267 116.8537 57.8092 41.8913 178.8094 854 Y 4.1265 8.1239 119.6610 60.6579 38.6674 177.6338 855 Q 3.7529 8.4787 120.9850 59.0044 29.0303 178.0636 856 L 3.7710 7.7731 121.3253 58.1742 42.0661 178.7273 857 M 3.0034 7.5444 118.4748 58.1622 31.5572 178.7066 858 L 3.8133 6.8216 117.2370 57.8022 41.8457 179.1774 859 D 4.3903 7.9882 118.9707 57.5709 40.6590 178.6382 860 C 4.1466 7.9545 117.1059 61.6459 27.6665 175.0331 861 W 4.1170 6.9596 118.9266 55.2535 29.4114 176.2911 862 Q 4.2045 7.3748 118.7774 55.8572 28.7969 176.6329 863 K 4.0579 9.0041 123.9776 59.4855 32.5488 176.4331 864 D 4.6068 8.0742 120.7005 53.1677 41.2858 176.6741 865 R 4.0486 8.6702 124.5864 59.1661 29.6700 178.6399 866 N 4.4343 8.3929 115.3728 55.7048 38.5343 175.4827 867 N 4.6521 8.0157 113.8229 53.6647 39.1260 175.6958 868 R 4.3822 7.4612 117.9389 54.7381 30.8993 174.8071 869 P 4.4972 0.0000 0.0000 62.5235 32.2608 176.9688 870 K 4.1530 8.9078 119.8846 55.8130 34.1118 178.4686 871 F 4.0463 8.4663 119.7858 60.8092 38.7892 177.4937 872 E 3.9556 8.3109 118.4155 59.5527 29.3198 178.8660 873 Q 4.0069 7.8772 117.5273 58.7554 28.8227 178.4297 874 I 3.6052 7.7624 120.9093 64.2971 37.0643 178.4205 875 V 3.5551 7.8905 119.1350 66.1365 31.2533 177.9001 876 S 4.0647 8.0150 112.6157 61.4556 62.3604 176.0312 877 I 3.6729 8.0242 122.7560 64.5824 36.8426 178.4634 878 L 4.0376 8.0870 119.6613 57.8736 41.3445 179.2619 879 D 4.3630 8.4725 119.2394 57.3347 40.7443 179.0130 880 K 3.9659 8.2959 119.0871 59.4833 31.7122 179.4294 881 L 4.0431 7.8112 118.9350 57.7295 41.2800 179.6201 882 I 3.7313 7.7604 119.1932 64.4039 37.1290 178.2242 883 R 4.1062 8.1939 118.8043 57.9068 31.5189 176.0633 884 N 5.0209 8.0278 116.5828 50.2694 38.8563 172.6338 885 P 4.6175 0.0000 0.0000 64.9809 31.7826 178.6846 886 G 3.7183 8.2421 105.3937 47.6593 0.0000 175.3987 887 S 4.2039 8.1996 116.3884 61.4398 62.6223 176.2798 888 L 4.1765 7.8026 120.7090 56.3977 41.4570 178.7900 889 K 4.3646 7.7348 118.0434 57.4268 32.3217 176.9668 890 I 3.9414 7.3041 120.6682 60.9686 36.8076 175.2026 891 I 4.7455 7.9647 126.3741 59.9480 39.4569 178.4160 892 T 4.2333 8.0496 122.6537 63.5026 68.1825 176.4722 *897 R 4.2471 8.6428 124.0021 56.9031 31.5979 175.3970 898 P 4.5065 0.0000 0.0000 64.3217 31.8191 175.5897 899 S 4.6892 7.5391 111.9027 56.7859 66.0091 173.9405 900 N 4.4296 8.8214 118.5752 56.5124 38.4115 176.0302 901 L 4.7518 7.7883 115.8783 54.3382 43.1930 176.0544 902 L 4.9075 9.0510 121.8518 52.8856 44.5221 175.6075 903 L 3.9297 8.5105 125.8612 54.3627 42.5264 175.8867 904 D 4.6298 8.4733 127.9119 53.2006 40.7979 176.2463 905 Q 4.1001 8.6175 127.1001 58.3218 29.2078 176.7456 906 S 4.2967 7.8681 116.6987 58.6995 62.7548 174.0530 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 V 7.91 4.09 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 0.47 0.00 0.00 0.86 0.00 0.00 610 H 7.94 4.90 0.00 3.21 3.33 0.00 5.77 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 611 E 8.87 3.77 0.00 1.62 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 1.47 1.70 0.00 612 F 8.14 4.86 0.00 3.04 2.86 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 0.00 0.00 0.00 613 A 7.61 4.89 1.25 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 0.00 614 K 8.58 4.37 0.00 1.73 1.75 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.44 7.81 615 E 8.77 4.60 0.00 1.86 1.80 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 2.25 2.39 0.00 616 L 8.95 4.54 0.00 1.52 1.57 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 617 D 8.54 4.49 0.00 2.67 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 0.00 618 A 8.71 4.03 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 619 T 7.97 3.98 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 1.27 0.00 0.00 620 N 8.42 4.64 0.00 2.98 3.03 0.00 0.00 6.65 8.45 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 0.00 621 I 7.52 5.08 1.99 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 1.29 0.60 0.93 0.00 0.00 622 S 9.09 4.75 0.00 3.84 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 0.00 623 I 8.45 4.58 1.89 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 1.36 0.62 0.93 0.00 0.00 624 D 8.79 4.94 0.00 2.52 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 0.00 625 K 7.56 4.36 0.00 1.79 1.60 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.40 7.81 626 V 8.57 4.14 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 0.95 0.00 0.00 627 V 8.75 4.07 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 0.72 0.00 0.00 1.02 0.00 0.00 628 G 7.13 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 629 A 8.72 4.87 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 0.00 630 G 8.99 4.21 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 0.00 631 E 8.80 3.63 0.00 1.74 1.62 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 1.47 1.93 0.00 632 F 9.14 4.73 0.00 3.20 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 0.00 633 G 6.51 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 0.00 634 E 8.10 4.72 0.00 1.97 1.90 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 2.41 2.32 0.00 635 V 8.96 4.89 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 1.09 0.00 0.00 1.00 0.00 0.00 636 C 9.64 5.51 0.00 2.86 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 0.00 637 S 8.75 5.07 0.00 3.82 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 0.00 638 G 8.17 4.27 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 0.00 639 R 8.56 5.29 0.00 1.68 1.77 0.00 3.23 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 640 L 8.94 5.11 0.00 1.71 1.47 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 641 K 9.05 4.75 0.00 1.75 1.70 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.53 7.81 642 L 9.11 4.40 0.00 1.76 1.57 0.92 0.86 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 0.00 643 P 0.00 4.27 0.00 2.03 2.11 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 644 S 7.85 4.21 0.00 3.97 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 0.00 645 K 8.29 4.12 0.00 1.90 2.14 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.49 7.81 646 K 7.68 4.05 0.00 1.77 1.67 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.41 7.81 647 E 8.64 5.29 0.00 1.87 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 2.22 2.44 0.00 648 I 8.58 4.72 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 1.33 1.23 0.91 0.00 0.00 649 S 8.58 4.87 0.00 3.78 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 0.00 650 V 8.91 4.76 2.17 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 0.70 0.00 0.00 0.97 0.00 0.00 651 A 8.89 4.97 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 0.00 652 I 8.95 4.87 1.90 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 1.25 1.03 0.95 0.00 0.00 653 K 9.24 5.17 0.00 1.80 2.04 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.44 7.81 654 T 8.78 5.15 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 655 L 8.09 4.06 0.00 0.36 1.08 0.47 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 656 K 9.09 4.13 0.00 1.84 2.02 0.00 1.39 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.56 1.47 7.81 657 V 8.29 3.74 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 0.80 0.00 0.00 0.96 0.00 0.00 658 G 8.80 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 659 Y 7.08 4.45 0.00 3.15 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 0.00 660 T 8.96 4.35 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 661 E 8.69 4.07 0.00 2.16 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 0.00 2.42 2.48 0.00 662 K 8.09 3.97 0.00 1.91 1.86 0.00 1.82 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.60 7.81 663 Q 8.29 4.23 0.00 2.58 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 664 R 8.24 3.69 0.00 1.72 2.13 0.00 2.89 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.48 0.00 665 R 8.18 3.89 0.00 2.10 1.97 0.00 3.20 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 1.66 2.03 0.00 666 D 8.37 4.35 0.00 2.80 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 0.00 667 F 7.89 3.31 0.00 2.35 2.86 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 0.00 0.00 0.00 668 L 8.20 3.79 0.00 1.76 1.61 0.88 0.70 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 0.00 669 G 8.32 3.60 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 0.00 0.00 0.00 670 E 7.84 3.97 0.00 1.97 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 2.37 2.50 0.00 671 A 7.23 3.83 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 0.00 672 S 7.91 4.01 0.00 3.84 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 0.00 673 I 7.48 3.34 1.82 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.69 0.38 0.00 0.00 674 M 7.93 3.59 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.55 0.00 675 G 7.87 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 0.00 0.00 0.00 676 Q 7.15 3.72 0.00 0.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.57 0.00 0.00 0.00 0.00 0.00 1.16 1.62 0.00 677 F 6.96 5.02 0.00 3.06 2.94 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 0.00 678 D 8.73 4.66 0.00 2.59 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 679 H 8.20 4.66 0.00 2.90 3.03 0.00 5.73 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 680 P 0.00 4.32 0.00 2.13 2.07 0.00 2.98 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.80 0.00 681 N 8.33 4.97 0.00 2.87 2.89 0.00 0.00 6.93 7.23 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 0.00 682 I 7.45 4.96 1.92 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.54 0.94 0.00 0.00 683 I 8.56 3.83 1.93 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 1.15 0.65 1.16 0.00 0.00 684 R 9.23 4.28 0.00 2.00 1.84 0.00 3.13 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 685 L 8.50 4.45 0.00 1.65 1.55 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 686 E 9.35 4.16 0.00 2.02 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 2.34 2.41 0.00 687 G 6.93 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 0.00 688 V 8.04 4.81 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 0.64 0.00 0.00 0.99 0.00 0.00 689 V 8.65 4.78 2.11 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 1.12 0.00 0.00 1.00 0.00 0.00 690 T 9.52 4.40 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 1.20 0.00 0.00 691 K 8.40 4.19 0.00 1.78 1.90 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.59 7.81 692 S 7.49 4.78 0.00 3.96 3.79 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 0.00 0.00 0.00 693 K 8.22 4.81 0.00 1.77 1.80 0.00 1.85 0.00 0.00 2.03 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.44 7.81 694 P 0.00 4.45 0.00 2.16 2.07 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 695 V 8.06 4.04 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 1.20 0.00 0.00 0.83 0.00 0.00 696 M 9.19 5.52 0.00 2.01 1.92 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 2.75 2.54 0.00 697 I 9.03 4.67 1.68 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 0.81 0.41 0.78 0.00 0.00 698 V 8.79 4.89 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.95 0.00 0.00 699 T 8.77 5.25 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 1.21 0.00 0.00 700 E 8.61 4.52 0.00 1.99 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 2.31 2.30 0.00 *702 M 8.70 4.14 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.63 0.00 703 E 8.65 3.91 0.00 1.90 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 2.30 2.34 0.00 704 N 7.94 4.63 0.00 2.41 1.87 0.00 0.00 7.04 7.67 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 0.00 705 G 7.87 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 0.00 706 S 8.36 4.66 0.00 3.91 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 0.00 707 L 8.83 4.10 0.00 1.83 1.88 1.00 1.29 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 0.00 708 D 8.11 4.43 0.00 3.02 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 0.00 709 S 8.06 4.22 0.00 4.12 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 0.00 710 F 8.52 4.46 0.00 3.42 3.35 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 0.00 711 L 8.52 4.19 0.00 1.81 1.83 0.86 1.20 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 0.00 712 R 7.95 4.10 0.00 2.01 2.03 0.00 3.23 0.00 0.00 3.29 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.91 0.00 713 K 7.67 4.15 0.00 1.57 1.52 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.60 7.81 714 H 8.07 4.92 0.00 2.94 2.68 0.00 5.64 0.00 0.00 0.00 0.00 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.82 0.00 819 S 7.49 4.36 0.00 3.30 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 0.00 820 Y 8.60 3.48 0.00 3.14 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 0.00 821 G 8.67 3.96 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 0.00 0.00 0.00 822 E 7.50 4.10 0.00 1.88 1.69 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 2.75 2.60 0.00 823 R 8.65 4.22 0.00 2.03 1.91 0.00 3.39 0.00 0.00 3.63 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.78 0.00 824 P 0.00 3.24 0.00 1.26 1.17 0.00 3.68 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 2.02 0.00 825 Y 6.57 2.76 0.00 2.89 2.86 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 0.00 0.00 0.00 826 W 6.70 3.46 0.00 3.63 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.03 4.77 0.00 2.03 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 2.36 2.33 0.00 828 M 8.01 4.19 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.07 2.67 0.00 829 S 8.60 4.23 0.00 3.94 3.79 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 0.00 0.00 0.00 830 N 8.80 4.21 0.00 2.71 2.84 0.00 0.00 7.08 8.10 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 0.00 831 Q 7.99 3.94 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 832 D 7.85 4.28 0.00 2.77 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 0.00 833 V 7.87 3.23 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 0.04 0.00 0.00 0.70 0.00 0.00 834 I 7.73 3.49 1.92 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 1.28 0.47 0.83 0.00 0.00 835 K 8.14 3.87 0.00 1.89 1.75 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.44 7.81 836 A 8.25 3.99 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 0.00 837 V 7.55 3.92 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 1.38 0.00 0.00 0.86 0.00 0.00 838 D 7.80 4.34 0.00 2.70 2.86 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 0.00 0.00 0.00 839 E 8.23 4.23 0.00 2.40 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 840 G 8.12 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 0.00 0.00 0.00 841 Y 8.23 4.69 0.00 3.09 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 0.00 842 R 9.15 4.55 0.00 1.78 1.81 0.00 3.19 0.00 0.00 3.05 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.85 0.00 843 L 7.61 4.04 0.00 0.69 0.34 -0.96 -1.06 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 0.00 844 P 0.00 4.79 0.00 2.34 2.40 0.00 3.92 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 845 P 0.00 3.97 0.00 1.90 1.11 0.00 3.67 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.48 0.00 846 P 0.00 4.29 0.00 2.06 1.72 0.00 3.63 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.30 0.00 847 M 8.45 4.17 0.00 1.96 1.98 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 2.57 2.56 0.00 848 D 8.72 4.41 0.00 2.87 2.74 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 0.00 849 C 7.78 4.30 0.00 3.09 2.77 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 0.00 0.00 0.00 850 P 0.00 4.72 0.00 2.21 2.11 0.00 3.68 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.30 0.00 851 A 9.30 4.26 1.34 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 0.00 0.00 852 A 8.06 3.95 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 0.00 853 L 7.83 3.99 0.00 1.85 1.72 0.92 0.79 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 0.00 854 Y 8.12 4.13 0.00 3.07 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 0.00 855 Q 8.48 3.75 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 856 L 7.77 3.77 0.00 1.85 1.73 0.84 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 857 M 7.54 3.00 0.00 0.51 1.46 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.31 0.00 858 L 6.82 3.81 0.00 1.49 1.71 0.78 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 859 D 7.99 4.39 0.00 2.68 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 0.00 860 C 7.95 4.15 0.00 2.48 2.94 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 0.00 861 W 6.96 4.12 0.00 3.04 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 862 Q 7.37 4.20 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.93 0.00 0.00 0.00 0.00 0.00 2.69 2.60 0.00 863 K 9.00 4.06 0.00 1.81 1.91 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.48 7.81 864 D 8.07 4.61 0.00 2.75 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 865 R 8.67 4.05 0.00 2.07 2.22 0.00 3.03 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 866 N 8.39 4.43 0.00 2.90 2.94 0.00 0.00 7.01 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 867 N 8.02 4.65 0.00 2.89 2.86 0.00 0.00 7.03 7.17 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 0.00 868 R 7.46 4.38 0.00 1.95 1.83 0.00 3.38 0.00 0.00 3.66 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.64 0.00 869 P 0.00 4.50 0.00 2.05 1.97 0.00 3.72 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 0.00 870 K 8.91 4.15 0.00 1.75 1.76 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.57 1.61 7.81 871 F 8.47 4.05 0.00 3.06 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 0.00 872 E 8.31 3.96 0.00 2.07 1.97 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 2.39 2.43 0.00 873 Q 7.88 4.01 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 874 I 7.76 3.61 1.88 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.57 0.63 0.00 0.00 875 V 7.89 3.56 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 1.09 0.00 0.00 0.99 0.00 0.00 876 S 8.02 4.06 0.00 3.94 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 0.00 877 I 8.02 3.67 2.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.03 0.89 0.00 0.00 878 L 8.09 4.04 0.00 1.83 1.73 1.02 0.98 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 0.00 879 D 8.47 4.36 0.00 2.88 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 0.00 880 K 8.30 3.97 0.00 1.98 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.63 7.81 881 L 7.81 4.04 0.00 1.89 1.72 0.92 0.60 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 0.00 882 I 7.76 3.73 2.02 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 1.41 0.60 0.91 0.00 0.00 883 R 8.19 4.11 0.00 1.85 2.19 0.00 3.20 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 884 N 8.03 5.02 0.00 2.79 2.76 0.00 0.00 6.86 7.13 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 0.00 885 P 0.00 4.62 0.00 2.31 2.30 0.00 3.93 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.90 0.00 886 G 8.24 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 0.00 0.00 0.00 887 S 8.20 4.20 0.00 4.08 4.15 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 0.00 888 L 7.80 4.18 0.00 1.79 1.78 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 889 K 7.73 4.36 0.00 1.87 1.88 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.55 7.81 890 I 7.30 3.94 1.88 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 1.30 0.53 0.92 0.00 0.00 891 I 7.96 4.75 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 1.54 0.79 0.93 0.00 0.00 892 T 8.05 4.23 4.15 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 1.18 0.00 0.00 *897 R 8.64 4.25 0.00 1.82 2.02 0.00 3.25 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 898 P 0.00 4.51 0.00 2.27 2.19 0.00 3.88 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 899 S 7.54 4.69 0.00 3.95 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 0.00 900 N 8.82 4.43 0.00 2.76 2.74 0.00 0.00 6.96 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 0.00 901 L 7.79 4.75 0.00 1.68 1.94 1.05 1.10 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 0.00 902 L 9.05 4.91 0.00 1.74 1.68 1.02 0.62 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 0.00 903 L 8.51 3.93 0.00 0.96 1.40 0.27 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 904 D 8.47 4.63 0.00 2.73 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 0.00 905 Q 8.62 4.10 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 906 S 7.87 4.30 0.00 3.94 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 * Residues marked with a * may have inaccurate shift predictions.