NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 595 T 4.5974 8.1744 117.3319 63.1943 69.9090 173.1502 596 F 4.2482 9.6687 130.1965 57.4074 40.1594 169.0191 597 V 4.0604 7.9490 125.9793 60.5204 33.8932 174.2545 598 D 4.1015 8.3091 127.7661 53.3523 41.5497 174.5753 599 P 4.4208 0.0000 0.0000 62.2635 32.5838 175.7172 *609 V 4.4645 8.1776 115.6945 62.8036 32.7717 177.0543 610 H 4.7328 7.8883 114.0527 56.2130 28.9966 176.0111 611 E 3.7560 8.0180 120.1181 58.1728 29.6153 176.9904 612 F 4.9033 7.8971 113.7070 56.6957 40.6709 174.1068 613 A 4.8727 7.8182 124.0678 49.8317 21.8121 175.5880 614 K 4.2622 8.4573 122.0463 56.1699 33.6325 175.8547 615 E 4.7229 8.7367 126.0420 55.8291 30.0011 175.7228 616 L 4.5278 8.9283 127.9919 53.6445 43.5113 176.2309 617 D 4.4792 8.5556 121.7654 53.3290 41.8315 177.1238 618 A 4.0140 8.6903 129.9988 55.1335 18.7050 178.9709 619 T 3.8644 8.0579 110.1600 65.1664 67.5080 174.5044 620 N 4.6446 8.5101 117.0414 53.7033 38.9836 173.9428 621 I 5.0695 7.5215 120.4012 59.3838 39.1881 175.2850 622 S 4.8271 9.0328 121.1289 56.5305 66.3987 172.7738 623 I 4.7284 8.3596 122.4221 60.1888 38.0287 175.0404 624 D 4.8250 8.9643 126.6265 54.9971 42.9251 176.8596 625 K 4.4350 7.7240 117.4391 55.3413 35.7131 174.1020 626 V 4.3901 8.4455 127.3589 62.0309 32.3421 175.2719 627 V 3.8637 9.0420 129.1660 63.6734 31.9322 176.3321 628 G 3.9467 7.2949 106.6644 46.2671 0.0000 170.9943 629 A 4.6995 8.4534 124.2118 51.4805 19.4671 176.9177 630 G 4.3422 9.1517 110.3224 43.2351 0.0000 173.5155 631 E 3.6131 8.9737 118.9136 58.6601 29.6548 177.5994 632 F 4.7909 8.7252 114.5207 56.3488 40.9917 176.0783 633 G 4.2686 6.6102 107.6284 46.1449 0.0000 171.7531 634 E 4.8294 7.7034 122.1660 55.7559 31.8519 176.0755 635 V 5.0657 8.8061 114.7666 60.0207 35.5394 174.9168 636 C 5.2439 9.4319 119.1594 57.4004 33.7502 172.2849 637 S 5.0842 9.0231 112.8384 56.7183 66.4022 173.2420 638 G 4.3026 8.0698 106.4008 46.8852 0.0000 172.4913 639 R 5.1981 8.5897 121.2271 54.2752 34.9715 174.2140 640 L 5.0859 8.9616 124.4052 53.1348 45.1416 174.9287 641 K 4.7270 8.9097 128.6947 55.2240 32.8225 176.5618 642 L 4.3825 9.1446 128.2785 53.4342 42.5153 176.4445 643 P 4.2264 0.0000 0.0000 65.6927 31.2621 177.9929 644 S 4.2677 7.8924 109.9376 58.6416 63.1353 175.0279 645 K 4.1222 8.2627 120.5672 56.2804 30.9759 176.9198 646 K 4.0674 7.4955 118.5572 56.6484 32.5441 175.2785 647 E 5.2872 8.6116 121.6084 54.5501 31.8549 175.3660 648 I 4.7315 8.5756 117.0285 58.8824 41.3971 174.9976 649 S 4.7594 8.5654 119.2900 58.8798 63.6465 174.0000 650 V 4.8391 8.6603 115.1312 59.8020 36.5056 174.0798 651 A 4.9591 9.0613 125.1741 51.2682 20.7590 176.5098 652 I 5.1935 9.0497 122.4054 59.3028 41.1399 174.7649 653 K 5.2898 9.2289 125.4042 55.3134 35.9645 175.2150 654 T 5.1233 8.8110 112.0985 59.8854 72.1174 172.4894 655 L 4.1004 7.9609 125.7294 53.2588 43.1155 176.5374 656 K 4.0534 9.1131 126.1610 57.0183 33.6144 176.6689 657 V 3.7441 8.3887 122.1413 64.3561 31.9882 175.7805 658 G 3.7599 8.7287 114.0643 46.3767 0.0000 173.3422 659 Y 4.4554 7.1553 115.9511 56.8033 38.6842 176.6275 660 T 4.3583 9.1143 113.0574 61.1916 71.4595 175.8551 661 E 4.1380 8.7230 121.4365 59.4707 29.3959 179.5840 662 K 3.9903 8.0987 119.2633 59.6610 32.2821 178.6737 663 Q 4.2818 8.1802 118.0947 59.0568 28.6016 178.8578 664 R 3.7045 8.2556 119.6626 59.3748 30.0933 178.7985 665 R 3.8918 8.1717 117.8866 59.4763 29.8794 178.8787 666 D 4.3330 8.1301 117.6187 57.0672 40.8682 178.3216 667 F 3.4533 7.8001 121.3395 61.2061 39.4615 177.3455 668 L 3.8527 8.1614 118.4643 57.0962 41.3010 179.4274 669 G 3.7279 8.0736 106.2884 47.7842 0.0000 175.0284 670 E 4.2000 7.9876 122.2696 58.6181 29.5326 178.9808 671 A 3.8978 7.5904 120.0361 55.2238 18.5610 179.6315 672 S 4.0846 8.0043 113.5016 61.3056 62.7962 176.9752 673 I 3.6264 7.4287 122.3030 64.2685 37.1980 177.7185 674 M 3.4722 8.0565 119.4209 58.5344 31.8015 178.3360 675 G 3.9231 7.7162 105.3985 46.4318 0.0000 174.9359 676 Q 3.6174 6.9836 118.8301 56.0635 29.0851 175.7199 677 F 5.1842 6.8253 118.7570 55.7269 41.0192 175.3787 678 D 4.5887 8.6745 123.2209 53.1664 42.1945 173.4134 679 H 4.6105 8.1587 124.1232 53.6895 32.8005 172.7244 680 P 4.3332 0.0000 0.0000 64.9895 31.4245 176.6838 681 N 4.9704 8.3581 115.8448 52.7573 39.0349 173.1436 682 I 5.0299 7.5531 118.9747 59.0934 40.0008 175.7309 683 I 3.8971 8.5897 127.7998 62.1893 37.7255 175.6383 684 R 4.2292 9.0616 127.6867 55.6996 31.4582 174.7886 685 L 4.5057 8.3924 128.6277 54.5509 42.1537 176.0236 686 E 4.1412 9.3613 127.5949 57.0323 30.4437 177.4758 687 G 3.9254 6.8592 105.1065 45.5427 0.0000 170.9074 688 V 4.8302 8.0860 111.7841 59.3726 35.3673 175.0974 689 V 4.7843 8.6353 121.5288 61.5633 32.7690 176.0625 690 T 4.4666 9.3563 116.7585 61.5396 70.3050 175.0210 691 K 4.3001 8.3966 119.5331 57.0223 32.5374 176.1493 692 S 4.7997 7.6433 112.1842 56.3946 66.2267 173.0849 693 K 4.7868 8.2608 119.6848 53.6016 34.8561 174.7432 694 P 4.4431 0.0000 0.0000 62.3384 32.2617 176.3344 695 V 4.0135 8.1306 120.6103 63.6255 32.7594 174.5362 696 M 5.5971 9.2294 125.7037 53.7243 36.7372 174.1398 697 I 4.6681 8.9022 122.2668 59.4667 40.4931 174.6085 698 V 4.9619 8.8528 127.4573 61.3657 33.8480 174.4854 699 T 5.1972 8.9425 117.4801 59.0946 72.9695 172.5741 700 E 4.1754 8.7671 122.7131 57.1965 29.9087 175.8889 701 Y 4.3293 8.7287 128.2823 57.7650 40.0919 174.8335 702 M 4.2964 7.7466 125.2326 52.9258 33.6641 175.4312 703 E 3.4606 8.3228 125.4675 58.6448 29.9118 177.3996 704 N 4.6263 7.7343 113.2420 52.1904 39.4403 177.1521 705 G 3.7746 7.6553 107.9032 45.9464 0.0000 173.2089 706 S 4.6790 8.3469 116.2834 58.1163 64.6785 174.7686 707 L 4.0765 8.8352 128.5256 58.1444 42.0332 179.1968 708 D 4.4341 8.1196 118.9658 56.6804 39.2310 178.6508 709 S 4.2217 8.0642 114.4073 60.7176 63.2808 175.6829 710 F 4.4303 8.4997 124.2703 61.3306 39.2132 177.2175 711 L 4.1991 8.4568 118.7117 57.8803 41.1640 179.7309 712 R 4.1195 7.9731 117.3768 58.9863 30.0595 178.6480 713 K 4.1654 7.6352 116.7155 57.8633 32.2756 177.0767 714 H 4.9226 7.8160 116.2231 53.6860 29.8339 172.5266 715 D 3.6424 8.2095 118.1754 55.8505 40.9663 175.9219 716 A 3.1595 5.8000 126.7788 53.0034 16.0689 177.4672 717 Q 4.1994 7.5525 116.4782 56.9310 29.5395 175.5754 718 F 5.1712 7.8006 116.9502 55.7388 41.5413 176.1967 719 T 4.3325 8.9554 113.7982 61.3722 70.7847 176.0330 720 V 3.6300 8.3350 121.3305 66.2944 31.5077 178.1575 721 I 3.6912 7.7500 117.9310 63.9870 37.9075 177.7105 722 Q 3.9613 8.1946 119.0418 58.9898 28.5908 178.8222 723 L 3.8886 7.9479 119.9527 57.7838 41.5528 179.7847 724 V 3.7175 8.2379 118.7079 65.7779 31.4042 178.2671 725 G 3.6090 8.3019 105.7175 47.9758 0.0000 175.4888 726 M 3.9962 7.8958 121.0202 58.2812 32.0055 178.9411 727 L 4.0862 8.0054 118.9881 57.7006 41.6718 179.6274 728 R 4.0266 8.5187 119.3158 59.2174 30.0510 178.6776 729 G 3.6620 8.0701 105.5926 47.9598 0.0000 175.5921 730 I 3.7265 7.7875 122.2558 64.0714 37.1048 178.3751 731 A 3.7256 8.3087 121.5820 55.0827 18.1369 179.6758 732 S 4.0881 8.4040 111.9405 61.3899 62.4780 176.5371 733 G 3.4602 8.0948 108.4222 48.1958 0.0000 175.6096 734 M 3.6488 7.8820 121.2370 57.4388 31.6016 178.7034 735 K 3.9470 7.9188 121.6640 58.9882 32.3539 178.2569 736 Y 4.1060 7.7776 119.6514 60.6494 38.7433 177.7285 737 L 3.4531 7.7332 120.1980 57.7646 41.7457 179.8074 738 S 4.1823 8.2196 114.3701 61.5087 62.7886 176.1301 739 D 4.4907 8.1197 121.9238 57.2430 40.7839 177.9165 740 M 4.3247 7.8594 117.3384 55.2152 31.8952 177.6905 741 G 4.0038 7.9489 107.4782 45.7467 0.0000 172.8783 742 F 4.2411 8.1154 121.9893 56.2778 40.0110 175.1728 743 V 4.1443 7.3395 127.9623 61.3330 32.4217 174.8065 744 H 3.8898 9.6642 128.3657 58.6892 29.8281 177.6279 745 R 4.1617 8.4214 114.3899 56.7074 28.7790 176.1445 746 D 4.7543 7.8890 115.3193 53.2422 42.1350 174.5392 747 L 3.7008 8.1177 119.0425 55.4367 42.1822 175.9899 748 A 4.5157 7.9723 126.3642 50.8125 21.9240 176.5291 749 A 4.0175 9.3377 124.2279 55.1630 18.6012 180.6247 750 R 4.5511 7.8049 110.3712 58.1912 29.8526 176.8719 751 N 4.8295 8.2578 115.8504 52.8647 39.9789 173.9345 752 I 4.8779 7.6493 120.8491 59.5388 39.8881 174.8063 753 L 5.1472 8.6765 125.9893 53.0271 45.1511 175.2258 754 I 4.8708 8.2917 121.1416 59.4071 41.5295 174.8882 755 N 5.0735 8.5055 127.3310 51.2981 39.6904 175.8081 756 S 4.2261 8.7052 112.3461 61.1684 63.0163 174.6309 757 N 4.6655 8.2071 116.2204 52.6684 38.3791 175.0292 758 L 3.4882 7.7709 116.2502 55.1848 39.8946 174.3699 759 V 3.8232 7.8915 120.2896 62.9403 32.4331 174.6058 760 C 5.2559 8.5694 125.2469 58.2429 30.1605 173.3176 761 K 4.7691 8.8360 121.5947 54.4459 36.4715 175.8955 762 V 3.8907 8.8630 125.1739 63.2356 32.6865 174.9775 763 S 4.9606 7.9944 121.8060 56.7534 65.6654 171.5034 764 D 4.2199 8.2732 113.6252 55.2595 37.9981 176.2631 765 F 4.6006 7.3698 122.2305 55.6273 39.0419 173.9030 *787 P 4.9569 0.0000 0.0000 62.0568 32.8032 178.4225 788 I 3.7172 8.7341 120.0178 65.7968 37.1898 178.4298 789 R 3.6386 8.1277 117.1229 58.1983 30.1325 177.3271 790 W 4.7166 8.6407 115.9297 56.7107 30.0285 175.5536 791 T 4.7066 7.5069 116.0841 61.7027 69.6628 175.5657 792 S 2.7900 7.9702 120.1628 57.0377 64.9870 173.6590 793 P 3.8797 0.0000 0.0000 65.6162 31.0689 178.8747 794 E 3.9085 7.7229 115.6889 59.1303 29.6142 178.9214 795 A 3.3143 7.2603 121.8275 54.5219 17.9941 179.7080 796 I 3.4885 7.2571 117.3009 64.3256 37.2509 178.2447 797 A 4.2561 7.8663 120.8287 54.7232 17.1031 179.2448 798 Y 4.7401 7.9652 115.1665 56.5727 38.3887 175.1863 799 R 3.7081 7.6204 116.3007 58.1673 28.0928 177.7060 800 K 3.8333 6.3071 118.6539 55.1418 30.4958 174.0282 801 F 4.6257 8.1901 121.9886 55.4640 40.6540 175.4594 802 T 4.7701 8.7923 115.1174 59.1153 72.2148 174.8711 803 S 4.2896 8.6878 116.2625 61.5656 62.5977 176.7120 804 A 4.0599 7.9263 124.0079 54.7568 18.0466 179.7359 805 S 4.2601 8.0536 112.9103 61.6108 63.0898 176.4742 806 D 4.6268 8.1957 122.2109 57.1670 40.6211 178.6208 807 V 3.3520 7.9637 119.0073 65.4225 31.5626 177.6184 808 W 4.6029 8.2120 129.5259 60.2197 30.4665 177.9990 809 S 4.7680 8.5511 116.2136 61.3975 62.2746 176.0655 810 Y 4.2124 8.8042 122.7037 60.7340 38.5493 178.3820 811 G 3.3491 8.3724 106.6369 47.8398 0.0000 175.7068 812 I 4.0533 7.9900 121.7129 64.2109 37.0849 178.6023 813 V 3.8951 8.2269 119.3730 65.9357 31.3253 177.6469 814 L 3.7400 7.9320 120.4137 57.9649 41.8695 178.8269 815 W 4.1083 8.3372 128.1291 60.4613 30.6841 177.6722 816 E 4.0158 8.9107 119.0214 59.4436 28.9564 179.5964 817 V 3.4181 8.0692 118.4287 66.3567 31.4855 178.0228 818 M 4.0007 7.7495 116.1829 57.3243 31.6654 177.8008 819 S 4.2658 7.5206 114.2890 57.2250 63.4401 173.3872 820 Y 3.8053 8.4811 118.6151 59.2495 35.4996 171.0031 821 G 3.9611 8.7643 104.3147 45.7500 0.0000 173.8945 822 E 4.1616 7.2918 119.3527 55.6172 30.3437 176.4834 823 R 4.2802 8.6280 124.5478 55.0812 30.8300 174.1343 824 P 3.2253 0.0000 0.0000 63.8576 31.8090 175.5103 825 Y 2.6801 6.5294 118.0096 57.4313 36.4622 170.8588 826 W 3.5125 6.5184 122.0158 58.5749 28.7990 175.6901 827 E 4.8304 8.9059 121.1118 56.6997 29.5308 175.8880 828 M 4.1619 8.0254 117.9911 55.3945 32.9439 177.4144 829 S 4.1284 8.6629 115.8663 58.9366 64.0598 175.0192 830 N 4.2226 8.8774 125.8461 56.8464 38.3752 177.4900 831 Q 3.9783 7.9970 118.6645 59.0667 28.7427 178.4894 832 D 4.3275 7.8492 119.5051 56.9574 41.0178 178.6854 833 V 3.2322 7.7415 118.8981 65.8773 31.4358 178.1456 834 I 3.4920 7.5732 119.3618 64.2485 36.9081 178.4493 835 K 3.8872 8.0456 120.1531 59.2441 32.0651 178.7117 836 A 3.9762 8.2326 121.4889 55.2094 18.3547 179.6789 837 V 3.9726 7.5260 117.9155 65.7382 31.3543 177.6071 838 D 4.3487 7.7979 116.4645 57.4407 41.1662 177.6627 839 E 4.2634 8.2984 116.9274 57.2156 29.7953 177.6720 840 G 4.0770 8.1564 107.9073 44.9534 0.0000 173.0827 841 Y 4.7025 8.2940 118.1907 58.0094 39.1743 175.0481 842 R 4.6110 9.2553 120.9782 53.8558 35.1017 174.6778 843 L 3.9761 7.6105 120.7712 54.4447 41.9198 175.7969 844 P 4.7443 0.0000 0.0000 61.1974 32.4544 174.2027 845 P 3.9215 0.0000 0.0000 61.8699 31.7910 174.7687 846 P 4.3001 0.0000 0.0000 62.1609 31.9486 175.3267 847 M 4.1404 8.4011 119.9237 57.3815 32.3846 175.6407 848 D 4.4288 8.7746 123.7812 55.3010 38.8104 173.0391 849 C 4.2757 7.7636 119.8070 58.1600 32.2535 171.2316 850 P 4.6463 0.0000 0.0000 62.9196 32.5250 176.9766 851 A 4.3736 9.3645 125.7445 54.7941 18.3094 180.0290 852 A 3.9305 7.9943 118.5197 55.3580 18.5000 179.7046 853 L 3.9833 7.8312 116.9759 57.8339 41.8542 178.8059 854 Y 4.1484 8.1716 119.6443 60.6397 38.6662 177.6778 855 Q 3.7349 8.4058 120.9007 59.0272 29.0458 178.0714 856 L 3.7661 7.7643 121.2871 58.2039 42.0572 178.7736 857 M 3.0207 7.5787 118.4540 58.1277 31.5531 178.7156 858 L 3.7752 6.8537 117.3160 57.7723 41.8493 179.1505 859 D 4.3746 7.9512 118.9448 57.5434 40.6335 178.6065 860 C 4.0675 7.9269 117.1752 61.6602 27.6636 175.0372 861 W 3.9211 6.8631 118.8087 55.1774 29.5760 176.2980 862 Q 4.1883 7.3008 118.8723 55.9018 28.7982 176.7272 863 K 4.0760 8.9835 123.9708 59.4893 32.5809 176.4635 864 D 4.5773 8.0764 120.7145 53.2636 40.8513 176.6112 865 R 4.0271 8.6938 124.5958 59.2165 29.5422 178.4543 866 N 4.4363 8.5595 115.1482 55.2922 38.5787 175.3670 867 N 4.7022 7.9578 114.1229 53.2665 39.2358 175.6964 868 R 4.3319 7.3829 118.0560 54.8609 30.8286 174.8244 869 P 4.4981 0.0000 0.0000 62.5157 32.2936 176.8806 870 K 4.1768 8.8999 119.7092 55.7148 34.1927 178.4678 871 F 4.1046 8.4633 119.6610 60.7720 38.7908 177.5748 872 E 3.9499 8.2555 118.5298 59.4058 29.3569 178.8150 873 Q 4.0014 7.8795 117.6760 58.7909 28.8761 178.4298 874 I 3.6131 7.7245 120.9038 64.3033 37.0589 178.5351 875 V 3.5873 7.9617 119.1731 66.2721 31.3419 178.2652 876 S 4.1323 8.0998 114.7857 61.5230 62.7474 176.7454 877 I 3.6822 8.0617 122.8595 64.4830 36.8450 178.5594 878 L 4.0557 8.0313 119.7523 57.7689 41.4021 179.1684 879 D 4.3552 8.4695 119.3525 57.3019 40.7168 178.8262 880 K 3.9467 8.1086 120.0889 59.4813 31.7575 178.9224 881 L 4.0103 7.8761 118.9535 57.7893 41.2780 179.5563 882 I 3.7985 7.7567 119.1069 64.4765 37.1150 178.4636 883 R 4.1638 8.1141 118.0177 57.5216 31.5177 176.5273 884 N 5.0216 8.1150 116.9950 50.5005 38.7641 172.7874 885 P 4.6144 0.0000 0.0000 64.8309 31.7943 178.6559 886 G 3.7305 8.2118 105.3781 47.9640 0.0000 175.4031 887 S 4.1845 8.2206 117.1728 61.5844 62.6246 176.3783 888 L 4.1896 7.6548 119.7351 56.4720 41.4680 178.8567 889 K 4.3632 7.8941 118.0328 57.3200 32.3151 176.9434 890 I 3.9840 7.3292 121.2659 60.9571 36.8631 174.6674 891 I 4.8176 7.9791 126.4550 59.0059 39.2144 176.3116 892 T 4.2099 8.6468 121.1280 64.0313 70.3953 176.5267 *900 N 4.6805 9.0035 127.6972 54.3301 39.5000 172.2199 901 L 4.7775 8.7504 125.5720 54.4485 43.3856 175.8605 902 L 4.8788 8.8644 122.0262 52.9032 44.2703 175.5639 903 L 3.8505 8.5370 125.9569 54.7779 42.5962 176.2176 904 D 4.6516 8.8077 126.2435 54.4094 40.8760 176.1761 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 595 T 8.17 4.60 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 1.31 0.00 0.00 596 F 9.67 4.25 0.00 3.14 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 597 V 7.95 4.06 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.87 0.00 0.00 598 D 8.31 4.10 0.00 2.72 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 0.00 599 P 0.00 4.42 0.00 2.09 2.02 0.00 3.82 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 2.05 1.99 0.00 *609 V 8.18 4.46 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 1.03 0.00 0.00 0.80 0.00 0.00 610 H 7.89 4.73 0.00 3.13 3.31 0.00 5.76 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 611 E 8.02 3.76 0.00 1.56 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 1.47 1.82 0.00 612 F 7.90 4.90 0.00 3.00 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 0.00 613 A 7.82 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 0.00 614 K 8.46 4.26 0.00 1.73 1.74 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.43 7.81 615 E 8.74 4.72 0.00 1.94 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 2.26 2.40 0.00 616 L 8.93 4.53 0.00 1.52 1.58 0.92 1.02 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 0.00 617 D 8.56 4.48 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 8.69 4.01 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 8.06 3.86 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 1.34 0.00 0.00 620 N 8.51 4.64 0.00 2.98 2.97 0.00 0.00 6.75 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 0.00 621 I 7.52 5.07 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 0.59 0.92 0.00 0.00 622 S 9.03 4.83 0.00 3.83 3.91 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 0.00 623 I 8.36 4.73 1.88 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 0.64 0.93 0.00 0.00 624 D 8.96 4.83 0.00 2.47 2.67 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 0.00 625 K 7.72 4.44 0.00 1.80 1.62 0.00 1.77 0.00 0.00 1.80 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.44 7.81 626 V 8.45 4.39 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 0.84 0.00 0.00 0.95 0.00 0.00 627 V 9.04 3.86 2.27 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 0.83 0.00 0.00 1.00 0.00 0.00 628 G 7.29 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 0.00 0.00 0.00 629 A 8.45 4.70 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 0.00 630 G 9.15 4.34 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 0.00 631 E 8.97 3.61 0.00 1.84 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 1.47 1.99 0.00 632 F 8.73 4.79 0.00 3.16 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 0.00 633 G 6.61 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 0.00 634 E 7.70 4.83 0.00 1.88 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 2.31 2.45 0.00 635 V 8.81 5.07 2.15 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 0.88 0.00 0.00 1.05 0.00 0.00 636 C 9.43 5.24 0.00 3.21 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 0.00 637 S 9.02 5.08 0.00 3.99 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 638 G 8.07 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 0.00 639 R 8.59 5.20 0.00 1.65 1.73 0.00 3.25 0.00 0.00 2.99 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 640 L 8.96 5.09 0.00 1.69 1.47 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 641 K 8.91 4.73 0.00 1.77 1.70 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.41 7.81 642 L 9.14 4.38 0.00 1.76 1.57 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 643 P 0.00 4.23 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 2.07 0.00 644 S 7.89 4.27 0.00 3.97 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 0.00 645 K 8.26 4.12 0.00 1.92 2.10 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.53 7.81 646 K 7.50 4.07 0.00 1.83 1.73 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.42 7.81 647 E 8.61 5.29 0.00 1.80 1.82 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 2.19 2.42 0.00 648 I 8.58 4.73 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 1.33 1.34 0.91 0.00 0.00 649 S 8.57 4.76 0.00 3.67 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 0.00 650 V 8.66 4.84 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 0.74 0.00 0.00 0.94 0.00 0.00 651 A 9.06 4.96 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 0.00 652 I 9.05 5.19 1.92 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 1.32 0.70 0.96 0.00 0.00 653 K 9.23 5.29 0.00 2.11 1.99 0.00 1.46 0.00 0.00 1.79 0.00 0.00 2.77 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.52 1.61 7.81 654 T 8.81 5.12 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 655 L 7.96 4.10 0.00 0.47 1.11 0.58 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 656 K 9.11 4.05 0.00 1.85 2.02 0.00 1.40 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.63 1.51 7.81 657 V 8.39 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 8.73 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 0.00 0.00 0.00 659 Y 7.16 4.46 0.00 3.14 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 0.00 660 T 9.11 4.36 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 661 E 8.72 4.14 0.00 2.05 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 0.00 2.45 2.36 0.00 662 K 8.10 3.99 0.00 1.88 1.89 0.00 1.78 0.00 0.00 1.89 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.76 1.59 7.81 663 Q 8.18 4.28 0.00 2.56 2.41 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 2.65 2.54 0.00 664 R 8.26 3.70 0.00 1.76 2.13 0.00 3.09 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.41 0.00 665 R 8.17 3.89 0.00 2.09 1.98 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 1.85 0.00 666 D 8.13 4.33 0.00 2.75 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 7.80 3.45 0.00 2.24 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 668 L 8.16 3.85 0.00 1.72 1.60 0.88 0.76 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 8.07 3.73 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 0.00 0.00 0.00 670 E 7.99 4.20 0.00 1.95 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 2.25 2.26 0.00 671 A 7.59 3.90 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 8.00 4.08 0.00 4.04 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 0.00 673 I 7.43 3.63 1.99 0.00 0.00 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 1.73 1.14 0.69 0.00 0.00 674 M 8.06 3.47 0.00 1.91 1.95 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.47 0.00 675 G 7.72 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.98 3.62 0.00 0.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.57 0.00 0.00 0.00 0.00 0.00 1.16 1.36 0.00 677 F 6.83 5.18 0.00 2.87 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 0.00 678 D 8.67 4.59 0.00 2.57 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 0.00 679 H 8.16 4.61 0.00 2.79 3.01 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 4.33 0.00 2.13 2.08 0.00 3.00 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 1.74 1.81 0.00 681 N 8.36 4.97 0.00 2.87 2.90 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 7.55 5.03 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.87 0.99 0.00 0.00 683 I 8.59 3.90 2.03 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 1.31 0.78 0.96 0.00 0.00 684 R 9.06 4.23 0.00 1.92 1.88 0.00 3.08 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 685 L 8.39 4.51 0.00 1.62 1.52 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 686 E 9.36 4.14 0.00 2.03 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 2.35 2.43 0.00 687 G 6.86 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 0.00 688 V 8.09 4.83 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.97 0.00 0.00 689 V 8.64 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 1.01 0.00 0.00 690 T 9.36 4.47 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 1.19 0.00 0.00 691 K 8.40 4.30 0.00 1.78 1.90 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.58 7.81 692 S 7.64 4.80 0.00 3.92 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 8.26 4.79 0.00 1.78 1.80 0.00 1.84 0.00 0.00 1.98 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.44 7.81 694 P 0.00 4.44 0.00 2.17 2.06 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 8.13 4.01 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 1.11 0.00 0.00 0.78 0.00 0.00 696 M 9.23 5.60 0.00 2.01 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 2.74 2.54 0.00 697 I 8.90 4.67 1.68 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.42 0.79 0.00 0.00 698 V 8.85 4.96 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 1.11 0.00 0.00 0.96 0.00 0.00 699 T 8.94 5.20 4.34 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 1.22 0.00 0.00 700 E 8.77 4.18 0.00 2.14 1.95 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 2.34 2.32 0.00 701 Y 8.73 4.33 0.00 2.97 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 0.00 702 M 7.75 4.30 0.00 1.97 1.75 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 703 E 8.32 3.46 0.00 1.95 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 816 E 8.91 4.02 0.00 2.35 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.87 0.00 817 V 8.07 3.42 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 0.88 0.00 0.00 0.93 0.00 0.00 818 M 7.75 4.00 0.00 1.94 1.96 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 2.59 2.81 0.00 819 S 7.52 4.27 0.00 3.18 3.27 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 0.00 820 Y 8.48 3.81 0.00 3.17 3.17 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 0.00 821 G 8.76 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 7.29 4.16 0.00 1.95 1.71 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 2.78 2.66 0.00 823 R 8.63 4.28 0.00 2.04 1.92 0.00 3.38 0.00 0.00 3.49 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.77 0.00 824 P 0.00 3.23 0.00 1.28 1.13 0.00 3.69 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 1.07 2.01 0.00 825 Y 6.53 2.68 0.00 2.84 2.80 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 0.00 826 W 6.52 3.51 0.00 3.63 2.52 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 0.00 0.00 0.00 0.00 827 E 8.91 4.83 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 2.30 2.41 0.00 828 M 8.03 4.16 0.00 2.05 2.16 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 3.08 2.63 0.00 829 S 8.66 4.13 0.00 3.88 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 0.00 830 N 8.88 4.22 0.00 2.82 2.82 0.00 0.00 7.15 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 0.00 831 Q 8.00 3.98 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 832 D 7.85 4.33 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 0.00 833 V 7.74 3.23 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.71 0.00 0.00 834 I 7.57 3.49 1.92 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.44 0.82 0.00 0.00 835 K 8.05 3.89 0.00 1.94 1.74 0.00 1.51 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.62 7.81 836 A 8.23 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 0.00 837 V 7.53 3.97 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 1.39 0.00 0.00 0.86 0.00 0.00 838 D 7.80 4.35 0.00 2.76 2.84 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 0.00 0.00 0.00 839 E 8.30 4.26 0.00 2.39 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 2.41 2.55 0.00 840 G 8.16 4.08 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 0.00 841 Y 8.29 4.70 0.00 3.06 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 0.00 842 R 9.26 4.61 0.00 1.92 1.78 0.00 3.18 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.92 0.00 843 L 7.61 3.98 0.00 0.66 0.37 -0.96 -1.10 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 4.74 0.00 2.34 2.37 0.00 3.91 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 845 P 0.00 3.92 0.00 1.88 1.01 0.00 3.68 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.58 0.00 846 P 0.00 4.30 0.00 2.05 1.68 0.00 3.61 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.29 0.00 847 M 8.40 4.14 0.00 1.96 1.97 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 2.57 2.56 0.00 848 D 8.77 4.43 0.00 2.88 2.75 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 0.00 0.00 0.00 849 C 7.76 4.28 0.00 3.10 2.76 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 0.00 850 P 0.00 4.65 0.00 2.21 2.10 0.00 3.68 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.29 0.00 851 A 9.36 4.37 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 7.99 3.93 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 3.98 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 8.17 4.15 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 0.00 855 Q 8.41 3.73 0.00 2.22 2.18 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 2.32 0.00 856 L 7.76 3.77 0.00 1.84 1.73 0.84 1.06 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 0.00 857 M 7.58 3.02 0.00 0.51 1.47 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 2.57 2.36 0.00 858 L 6.85 3.78 0.00 1.47 1.56 0.75 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 859 D 7.95 4.37 0.00 2.67 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 0.00 860 C 7.93 4.07 0.00 2.45 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 0.00 0.00 0.00 861 W 6.86 3.92 0.00 3.00 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 0.00 0.00 0.00 0.00 862 Q 7.30 4.19 0.00 2.06 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 2.59 2.45 0.00 863 K 8.98 4.08 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 2.94 0.00 0.00 0.00 0.00 1.46 1.47 7.81 864 D 8.08 4.58 0.00 2.74 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 8.69 4.03 0.00 2.05 2.33 0.00 2.98 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 866 N 8.56 4.44 0.00 2.88 2.93 0.00 0.00 6.97 8.18 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 0.00 867 N 7.96 4.70 0.00 2.86 2.85 0.00 0.00 7.01 7.18 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 0.00 868 R 7.38 4.33 0.00 1.89 1.81 0.00 3.36 0.00 0.00 3.63 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.64 0.00 869 P 0.00 4.50 0.00 2.04 1.96 0.00 3.70 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.86 0.00 870 K 8.90 4.18 0.00 1.74 1.75 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.60 7.81 871 F 8.46 4.10 0.00 3.04 2.93 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 0.00 872 E 8.26 3.95 0.00 2.07 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 2.39 2.42 0.00 873 Q 7.88 4.00 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 874 I 7.72 3.61 1.88 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.90 0.65 0.00 0.00 875 V 7.96 3.59 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.98 0.00 0.00 876 S 8.10 4.13 0.00 4.06 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 0.00 877 I 8.06 3.68 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 1.49 1.17 0.89 0.00 0.00 878 L 8.03 4.06 0.00 1.84 1.73 1.02 0.89 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 0.00 879 D 8.47 4.36 0.00 2.86 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 8.11 3.95 0.00 1.97 1.94 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 881 L 7.88 4.01 0.00 1.93 1.70 0.92 0.58 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 0.00 882 I 7.76 3.80 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 1.52 0.59 0.91 0.00 0.00 883 R 8.11 4.16 0.00 2.00 1.99 0.00 3.10 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 884 N 8.11 5.02 0.00 2.75 2.77 0.00 0.00 6.83 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 0.00 885 P 0.00 4.61 0.00 2.31 2.30 0.00 3.97 0.00 0.00 3.93 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 8.21 3.73 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 0.00 0.00 0.00 887 S 8.22 4.18 0.00 4.02 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 0.00 888 L 7.65 4.19 0.00 1.78 1.73 0.93 0.99 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 7.89 4.36 0.00 1.83 1.87 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.56 7.81 890 I 7.33 3.98 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 0.55 0.92 0.00 0.00 891 I 7.98 4.82 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 1.50 0.80 0.91 0.00 0.00 892 T 8.65 4.21 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 *900 N 9.00 4.68 0.00 2.71 2.78 0.00 0.00 6.86 7.78 0.00 0.00 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 8.75 4.78 0.00 1.72 1.93 1.04 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 902 L 8.86 4.88 0.00 1.76 1.68 1.02 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 903 L 8.54 3.85 0.00 0.85 1.36 0.42 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 904 D 8.81 4.65 0.00 2.56 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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.