NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 642 N 4.9005 8.2676 118.1270 53.3455 40.1860 174.8327 643 S 4.2446 8.7811 118.1590 59.7820 64.8935 172.5417 644 I 5.0474 8.5148 122.2235 59.6842 41.5529 175.6749 645 T 4.7315 9.0502 123.4037 61.6759 72.1625 173.0363 646 V 4.6948 8.5989 126.8480 60.9203 34.7192 174.3566 647 R 4.6549 9.0157 126.6093 54.4379 33.2240 175.4743 648 N 4.0741 8.8272 125.6768 54.2747 38.2351 172.9944 649 A 4.7608 8.1251 120.3448 50.7571 21.8977 177.5984 650 T 4.9373 8.2285 118.3827 61.6601 72.0609 173.2985 651 F 5.2937 9.2048 123.9484 55.9430 43.4311 173.8612 652 T 4.8610 8.8512 115.9325 60.3701 70.5527 174.5003 653 W 4.6495 8.9345 124.8572 57.7363 30.3220 176.7377 654 A 4.4427 8.0908 120.3964 51.3333 21.3455 177.4315 655 R 4.1091 8.7902 123.2809 58.8988 30.3960 178.4753 656 S 4.2812 8.0846 111.5401 60.1026 63.3121 173.3024 657 D 5.0290 7.6209 119.0707 51.1502 44.3631 173.5085 658 P 4.3912 0.0000 0.0000 62.1033 31.8201 175.1149 659 P 4.4592 0.0000 0.0000 63.3524 32.2447 176.8311 660 T 4.2963 8.5877 117.5796 65.6810 69.9682 174.5759 661 L 5.3686 8.2082 121.2112 52.8701 44.9522 175.6592 662 N 5.0118 8.8628 120.8658 51.6479 41.6310 174.7635 663 G 3.9975 8.6384 113.1852 47.2892 0.0000 173.7053 664 I 4.1013 8.1849 120.9765 61.3396 38.3847 176.1198 665 T 5.1865 8.4478 123.2981 62.1840 71.8254 173.0928 666 F 4.9296 8.4780 119.8203 56.3213 41.6389 173.1250 667 S 5.1444 8.8608 114.9056 56.8722 66.8660 173.5150 668 I 4.6039 8.8546 124.2970 58.7199 39.8060 173.5057 669 P 4.8522 0.0000 0.0000 61.5670 32.5723 175.7171 670 E 3.9941 8.8165 124.1021 58.2766 29.7227 177.2894 671 G 4.0671 9.0622 114.2023 44.4802 0.0000 173.2612 672 A 4.4361 7.8708 121.8827 51.5814 20.2503 176.5531 673 L 4.9892 9.2962 122.7254 53.4879 44.1759 175.4653 674 V 4.9242 8.9397 126.7660 61.0910 34.5344 174.4594 675 A 5.0640 8.9068 129.8134 51.1496 21.1709 175.9677 676 V 4.7654 8.6400 119.7805 61.2634 34.4733 175.0816 677 V 4.6643 9.5196 120.2059 58.8495 36.3235 174.7707 678 G 4.4700 8.2781 111.2500 45.5868 0.0000 171.9829 679 Q 3.8219 8.0876 121.0120 55.6692 29.3215 176.1802 680 V 3.6014 8.2126 122.2945 65.1158 31.6138 176.2730 681 G 3.9828 9.0487 114.7778 45.6103 0.0000 173.5239 682 C 4.2171 7.9748 114.4589 58.7077 30.3088 174.9555 683 G 4.2589 8.4142 110.1936 45.8422 0.0000 175.8195 684 K 3.9613 8.4862 120.7525 59.5412 32.0079 179.3111 685 S 4.3901 8.1347 114.8135 61.7963 62.7624 176.8013 686 S 4.4099 8.2290 117.4757 61.4203 62.6229 176.1865 687 L 3.8340 8.0146 123.0918 58.1887 41.8196 179.1136 688 L 3.9309 7.7463 118.5860 57.9125 41.5011 179.5554 689 S 3.9873 8.3459 115.0282 61.5118 62.7901 176.6651 690 A 3.3519 7.9665 123.6494 55.0057 17.7287 179.7842 691 L 3.8988 7.4014 116.0243 57.3682 41.7115 178.7964 692 L 4.1066 7.4002 116.2503 53.8907 41.7759 176.4317 693 A 3.6536 7.5872 120.7404 53.5413 16.3380 178.2459 694 E 4.4302 8.1833 117.9168 58.1039 30.4098 175.7666 695 M 4.1994 7.3343 118.2542 53.4801 35.3004 174.0755 696 D 4.7439 8.2638 119.3796 52.6578 42.9797 175.6185 697 K 4.1310 8.6181 128.7171 56.1084 31.9871 176.6391 698 V 3.8412 8.6251 129.8813 65.7889 32.0832 175.5198 699 E 4.4746 7.7985 115.6039 56.0097 32.5622 174.2247 700 G 3.9941 8.7823 105.9078 44.6285 0.0000 171.9133 701 H 4.9174 8.9215 118.0929 54.1554 32.3812 173.0793 702 V 4.7808 8.1035 124.0081 61.0351 34.3934 174.1045 703 A 4.6476 9.1598 129.5527 50.1497 21.8438 174.5049 704 I 4.7687 8.3888 123.1169 59.4481 40.0687 175.1048 705 K 4.1741 9.1609 130.0923 57.9302 32.6802 175.9942 706 G 3.8526 8.8580 113.5958 43.9807 0.0000 171.8572 707 S 4.4201 8.8011 113.0224 58.0548 64.5033 173.5560 708 V 4.7611 8.1649 120.4838 61.1346 33.8402 174.4132 709 A 4.7303 8.5242 129.2161 50.3129 22.2383 174.4413 710 Y 5.1793 8.1760 119.1952 56.0152 42.3670 174.7542 711 V 4.1661 8.8470 127.0493 60.2727 33.3827 173.4098 712 P 4.1867 0.0000 0.0000 61.5448 32.2563 176.5130 713 Q 4.4773 8.5475 119.0913 57.6536 29.0986 175.6110 714 Q 4.4691 7.8239 118.1365 53.5182 30.4793 174.6390 715 A 4.0381 8.5730 128.9632 51.9855 19.0592 176.1492 716 W 5.2782 7.6121 117.0025 54.5925 31.5108 174.5847 717 I 4.7215 8.4377 119.2285 59.5618 39.7045 175.3539 718 Q 4.4808 9.4687 126.3688 55.5363 29.7264 175.8698 719 N 4.8241 8.6275 121.3131 53.5964 38.0811 173.3117 720 D 4.5986 8.1535 122.1204 53.4056 46.2429 174.7678 721 S 4.7315 8.2438 114.0058 58.0744 64.0567 175.2851 722 L 3.9369 8.8698 122.8812 58.2816 41.6985 179.0761 723 R 4.0727 8.4335 120.2869 59.1058 29.9257 178.3987 724 E 4.0240 8.3995 117.7323 59.1163 29.1690 179.0198 725 N 4.6125 8.0386 116.0604 55.8031 38.2507 177.1312 726 I 4.0495 7.5412 120.9810 64.0648 37.5194 178.1848 727 L 3.8036 8.2836 120.1438 56.4073 42.2049 177.4880 728 F 3.5044 9.5074 118.9277 59.0830 38.0870 175.3390 729 G 4.0764 8.2149 107.8530 45.7196 0.0000 173.1931 730 C 4.5887 7.7521 116.5902 59.0264 29.1945 173.2764 731 Q 4.3081 8.3565 120.3851 55.1022 29.2979 175.8091 732 L 4.1700 8.2822 123.5223 54.7681 42.8293 175.9898 733 E 4.8164 9.5307 125.2409 54.6092 32.6220 174.7636 734 E 5.1488 8.7500 122.5236 54.4108 32.1212 174.4330 735 P 4.7799 0.0000 0.0000 63.2915 31.6946 177.2413 736 Y 4.2219 8.0752 121.2011 61.3968 38.6392 177.2890 737 Y 4.2252 8.7152 120.7579 60.9066 38.9579 177.8826 738 R 3.9508 8.6613 119.9061 59.7123 30.0579 178.5515 739 S 4.0864 8.0196 113.8191 61.2625 62.9867 176.7391 740 V 3.3341 7.4541 121.8063 65.6176 31.2737 177.9064 741 I 3.4619 7.4335 119.7075 64.4258 37.0110 178.2068 742 Q 3.8625 7.9931 119.8467 59.2229 28.7248 178.1210 743 A 4.0376 7.8867 120.5327 54.7940 18.3961 178.3349 744 C 4.3652 7.8285 112.6638 58.7988 28.3936 173.4451 745 A 3.6106 7.5681 121.7608 53.5518 16.1742 179.8289 746 L 4.4019 7.7568 120.5218 57.7621 41.8863 178.6711 747 L 3.9362 7.8015 119.4082 57.4992 41.4170 177.4127 748 P 4.2793 0.0000 0.0000 65.4609 31.6062 178.2653 749 D 4.4625 7.9347 117.3614 57.4238 40.9800 178.4767 750 L 4.0027 8.1409 119.7713 57.8246 41.3764 179.2005 751 E 4.0318 8.2114 118.5046 58.1918 29.5270 177.3218 752 I 4.3241 7.3060 109.5073 60.2785 38.4155 175.1500 753 L 4.5501 7.6959 122.4912 52.9275 42.6922 176.1211 754 P 4.3598 0.0000 0.0000 65.3492 31.5851 177.0670 755 S 4.7113 8.2070 114.5687 57.5587 65.0771 174.8933 756 G 3.7230 7.7753 110.8763 46.7343 0.0000 177.1434 757 D 4.5306 8.6137 121.4053 55.3284 39.5671 177.9048 758 R 4.2559 7.8323 117.9544 57.0116 30.6130 176.7146 759 T 4.0084 7.8286 117.1356 63.5985 69.6503 173.4883 760 E 4.5833 8.9537 126.5286 56.4442 30.9526 176.0652 761 I 4.7278 8.8285 117.7769 59.8372 41.6495 175.6031 762 G 3.8243 8.5152 107.7978 44.5382 0.0000 172.1021 763 E 4.0990 8.6560 119.9836 58.0642 29.7909 177.4456 764 K 3.9620 8.9951 120.8454 56.7929 30.2734 175.8264 765 G 4.4982 7.5177 107.4078 44.8609 0.0000 173.1753 766 V 3.7867 8.1772 121.7729 63.1368 32.3358 177.3205 767 N 4.7079 8.7048 126.8642 52.3392 38.5692 174.3576 768 L 4.4051 8.3090 126.2268 54.0952 42.7363 178.1105 769 S 4.5755 9.1212 118.0634 57.5900 65.2836 175.7376 770 G 3.7557 8.6450 108.5058 48.0103 0.0000 176.0617 771 G 3.6272 8.0141 107.6349 47.3954 0.0000 175.6616 772 Q 4.0005 8.0345 120.5781 58.6754 28.6615 179.0330 773 K 3.9356 8.3227 119.7805 59.4957 31.9711 179.1926 774 Q 3.8872 8.0764 119.8504 59.2306 28.9572 178.5280 775 R 3.8840 8.0527 119.2091 59.0349 29.9549 179.2226 776 V 3.5109 7.7833 118.2424 65.9345 31.4966 178.0522 777 S 3.7593 8.1798 113.1612 61.1545 62.0969 176.0660 778 L 4.0092 8.1957 121.7960 57.8932 41.4219 179.4237 779 A 3.9710 8.0956 120.6620 54.9133 18.0243 179.4646 780 R 4.1124 8.2267 117.8416 58.9614 30.2575 178.3781 781 A 4.1454 7.7883 119.9025 55.2511 18.5030 179.7428 782 V 3.7318 8.3069 117.2558 66.4579 31.3693 177.5802 783 Y 4.1696 8.5289 118.9285 60.5982 38.7113 177.8959 784 S 4.2633 8.1113 114.0687 58.7901 64.1399 173.3208 785 N 4.1597 8.1777 120.2750 54.5739 37.3461 172.8070 786 A 4.3503 7.7954 120.0738 51.7933 20.1779 177.7755 787 D 4.6771 8.7221 119.0654 56.5250 42.2659 177.2227 788 I 5.1071 8.0874 118.7467 59.5346 41.1824 174.2966 789 Y 4.5255 9.2649 124.1758 55.9616 40.8855 174.6154 790 L 5.0037 8.6628 124.7763 53.2538 44.1115 175.4694 791 F 5.0074 9.3493 124.7417 56.1111 41.0513 175.1066 792 D 5.0407 9.4546 126.1355 52.6630 40.5709 174.9593 793 D 4.8447 8.8334 128.5306 54.3748 39.7889 173.0746 794 P 4.4636 0.0000 0.0000 64.6135 32.3607 177.3950 795 L 4.5419 7.6600 117.9457 54.4919 42.4823 177.9633 796 S 4.0761 7.9131 114.4593 61.0295 62.0400 174.6810 797 A 4.4355 7.9667 120.4914 52.2638 19.1000 176.5726 798 V 4.4026 7.1091 109.4106 58.8888 34.4599 175.7782 799 D 4.6690 8.2805 121.8661 52.8736 41.5567 177.2216 800 A 4.0381 8.4247 120.8330 55.4423 18.2863 179.3060 801 H 4.0992 8.2276 116.2658 59.4745 30.0512 177.5080 802 V 3.6564 8.8244 120.5930 65.8988 31.2570 178.0789 803 G 3.6469 8.5133 105.9294 47.7418 0.0000 175.5168 804 K 4.4362 8.2480 123.4673 58.9502 32.1628 178.2916 805 H 4.0075 8.1519 118.5149 59.4337 29.6983 177.3630 806 I 3.6140 7.9630 121.6937 64.1163 36.9225 178.1437 807 F 3.6182 8.2671 121.8802 61.2780 38.8461 177.1117 808 E 3.9102 8.3941 118.2827 59.0269 29.1883 178.5417 809 N 4.5348 8.2300 115.6020 53.7502 38.2166 176.5776 810 V 3.8534 7.7571 118.1583 64.1400 33.0476 177.1940 811 I 3.9104 7.0532 116.7956 62.7464 38.1077 176.3189 812 G 3.2791 7.2753 108.8502 43.1489 0.0000 172.2276 813 P 4.2246 0.0000 0.0000 64.7119 31.1936 177.1049 814 K 4.3123 7.7719 116.3723 55.9240 32.7696 176.2070 815 G 3.8039 7.6601 110.1300 43.2731 0.0000 174.6877 816 M 4.1992 8.4921 116.5201 56.8759 31.4193 177.1726 817 L 4.5942 7.1449 120.4712 54.2672 42.0051 178.4537 818 K 3.8482 7.6556 120.5811 59.3812 32.3333 177.2992 819 N 4.6843 7.9653 114.5833 53.2029 39.2654 174.8270 820 K 4.5506 7.9023 119.0851 55.5137 34.6160 176.0178 821 T 4.5324 8.3497 118.7142 63.6210 69.8354 174.2341 822 R 5.2132 9.2554 124.9382 54.6277 34.1874 174.1349 823 I 4.7978 9.1902 125.7058 59.6687 39.5495 174.5582 824 L 4.9693 9.3296 130.4124 52.9648 43.3984 174.7431 825 V 4.5331 8.7323 126.3547 62.4775 32.6184 174.5354 826 T 5.2563 8.3599 121.0835 61.3367 70.3581 172.9237 827 H 4.9335 9.3268 121.4716 55.8761 29.4938 174.5853 828 S 5.1710 7.9327 115.6527 56.9294 64.1307 173.6494 829 M 4.5225 8.4383 122.4724 56.2662 31.9716 178.1322 830 S 3.7780 7.7974 116.3180 61.4498 63.2621 174.8763 831 Y 4.2491 7.4319 114.2005 57.3407 38.5626 177.3620 832 L 4.1216 7.8912 122.1367 57.3644 41.8564 177.7143 833 P 3.8810 0.0000 0.0000 64.6030 31.2045 176.7960 834 Q 4.4238 7.7822 115.3884 55.7760 29.1727 176.0356 835 V 4.2653 7.2456 111.8453 60.4199 33.0669 176.0445 836 D 4.6284 8.9449 121.8204 57.0975 41.2363 177.5870 837 V 4.6400 7.6319 116.2748 61.2255 35.7127 173.6266 838 I 4.8108 8.8326 127.0435 59.5081 40.2750 174.4048 839 I 4.6309 8.7439 127.9379 59.6116 39.3949 174.6099 840 V 4.5860 8.6119 128.0641 61.6508 33.0631 174.6032 841 M 5.1918 8.7461 127.6781 54.0501 34.9336 175.6281 842 S 4.4344 9.2880 114.8626 58.4225 65.9217 174.7518 843 G 3.7272 9.7142 116.2412 46.8411 0.0000 174.1618 844 G 4.3342 8.3715 104.4427 45.8757 0.0000 173.8886 845 K 4.9545 7.8917 118.1763 54.1572 35.8151 175.1866 846 I 4.5512 8.1628 121.2877 60.7202 38.0431 176.4091 847 S 4.3974 9.1793 123.0423 60.8915 63.3265 174.0652 848 E 4.8619 7.5084 114.9552 56.0781 32.2611 174.2467 849 M 5.1484 8.6159 119.1338 53.1882 36.5066 174.9838 850 G 4.0350 7.9605 108.7021 46.2018 0.0000 171.9973 851 S 4.6524 8.4929 114.9381 57.7370 63.9492 174.6460 852 Y 3.8565 8.7987 121.5769 61.3404 38.3458 178.6284 853 Q 4.0377 8.2400 118.1202 58.7937 28.7491 178.4449 854 E 3.9387 8.2427 119.6373 59.5781 29.3728 179.4830 855 L 4.0288 7.8970 117.8797 57.4674 41.9741 178.9509 856 L 4.1033 8.1505 120.4133 58.2427 41.7965 179.0339 857 A 4.0579 7.6542 118.8932 55.0700 18.3443 179.5618 858 R 3.9027 7.7690 115.7361 57.0104 30.9054 176.1519 859 D 4.4466 7.7971 117.0097 55.7095 41.2752 173.1766 860 G 4.1741 7.1640 112.5440 45.3448 0.0000 175.3859 861 A 4.0936 9.0580 124.8364 54.8778 18.0849 179.3149 862 F 4.3471 9.1790 119.4687 61.4892 39.5404 177.1894 863 A 3.7315 8.0577 119.9709 55.0864 18.1903 179.0806 864 E 3.6969 8.2901 117.7973 59.0838 29.6890 178.5488 865 F 4.1842 8.4587 121.0874 61.5363 39.2137 177.1468 866 L 3.5715 7.4671 116.9098 57.8003 41.4297 179.5451 867 R 3.9438 7.6059 116.8577 58.5515 30.0146 177.7181 868 T 4.2676 7.3709 112.7485 63.8165 71.0623 174.3207 869 Y 4.6418 7.1778 116.4417 58.9350 39.6707 176.4279 870 A 3.9014 7.1698 122.4072 52.5870 18.6526 177.3337 871 S 4.4132 8.7343 115.6115 59.1695 65.1909 174.6519 *872 H 4.5154 8.1521 122.9805 55.0555 28.4136 177.8761 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 642 N 8.27 4.90 0.00 2.77 3.05 0.00 0.00 6.76 6.68 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 0.00 643 S 8.78 4.24 0.00 3.91 4.13 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 I 8.51 5.05 1.95 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 1.35 0.65 0.83 0.00 0.00 645 T 9.05 4.73 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 1.19 0.00 0.00 646 V 8.60 4.69 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 1.01 0.00 0.00 0.44 0.00 0.00 647 R 9.02 4.65 0.00 1.72 1.76 0.00 3.28 0.00 0.00 3.05 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 648 N 8.83 4.07 0.00 2.80 2.70 0.00 0.00 6.56 8.09 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 0.00 649 A 8.13 4.76 1.09 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 0.00 0.00 0.00 0.00 0.00 0.00 650 T 8.23 4.94 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 651 F 9.20 5.29 0.00 2.74 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 652 T 8.85 4.86 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 1.25 0.00 0.00 653 W 8.93 4.65 0.00 3.34 3.16 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 0.00 654 A 8.09 4.44 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 0.00 655 R 8.79 4.11 0.00 1.83 2.02 0.00 3.37 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 656 S 8.08 4.28 0.00 3.99 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 0.00 657 D 7.62 5.03 0.00 2.73 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 0.00 658 P 0.00 4.39 0.00 2.07 2.02 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 659 P 0.00 4.46 0.00 2.05 2.08 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 660 T 8.59 4.30 4.31 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 1.42 0.00 0.00 661 L 8.21 5.37 0.00 1.83 1.71 0.86 0.70 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.96 0.00 670 E 8.82 3.99 0.00 1.93 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 2.35 0.00 671 G 9.06 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 672 A 7.87 4.44 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 0.00 673 L 9.30 4.99 0.00 1.76 1.58 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 674 V 8.94 4.92 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 0.84 0.00 0.00 0.96 0.00 0.00 675 A 8.91 5.06 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 0.00 676 V 8.64 4.77 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.82 0.00 0.00 677 V 9.52 4.66 0.72 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 0.58 0.00 0.00 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0.00 4.17 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 0.00 687 L 8.01 3.83 0.00 1.76 1.84 1.05 0.35 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 0.00 688 L 7.75 3.93 0.00 1.89 1.67 1.13 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 689 S 8.35 3.99 0.00 4.03 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 0.00 690 A 7.97 3.35 0.10 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 0.00 691 L 7.40 3.90 0.00 1.68 1.67 1.01 1.08 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 0.00 692 L 7.40 4.11 0.00 1.55 1.62 -0.19 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 693 A 7.59 3.65 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 0.00 694 E 8.18 4.43 0.00 2.08 2.08 0.00 0.00 0.00 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0.00 2.68 2.82 0.00 0.00 6.75 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 720 D 8.15 4.60 0.00 2.74 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 721 S 8.24 4.73 0.00 4.11 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 0.00 722 L 8.87 3.94 0.00 1.74 1.89 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 723 R 8.43 4.07 0.00 2.08 1.91 0.00 3.08 0.00 0.00 3.01 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.30 0.00 724 E 8.40 4.02 0.00 2.10 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 2.29 2.45 0.00 725 N 8.04 4.61 0.00 2.94 2.92 0.00 0.00 7.01 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 726 I 7.54 4.05 2.09 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.28 0.87 0.00 0.00 727 L 8.28 3.80 0.00 1.78 1.91 0.79 0.37 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 0.00 2.40 2.26 0.00 761 I 8.83 4.73 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 1.29 1.01 0.97 0.00 0.00 762 G 8.52 3.82 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 0.00 0.00 0.00 763 E 8.66 4.10 0.00 1.97 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 2.57 2.47 0.00 764 K 9.00 3.96 0.00 1.93 1.95 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.43 7.81 765 G 7.52 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 766 V 8.18 3.79 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 0.74 0.00 0.00 0.94 0.00 0.00 767 N 8.70 4.71 0.00 2.76 2.76 0.00 0.00 7.14 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 0.00 768 L 8.31 4.41 0.00 1.68 1.58 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.68 2.73 0.00 0.00 7.14 7.95 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 0.00 786 A 7.80 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 787 D 8.72 4.68 0.00 2.76 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 0.00 788 I 8.09 5.11 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.69 0.90 0.00 0.00 789 Y 9.26 4.53 0.00 2.69 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 0.00 0.00 0.00 790 L 8.66 5.00 0.00 1.66 1.66 0.76 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 791 F 9.35 5.01 0.00 3.08 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 0.00 792 D 9.45 5.04 0.00 2.85 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 0.00 793 D 8.83 4.84 0.00 3.04 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 0.00 794 P 0.00 4.46 0.00 2.15 2.30 0.00 3.90 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 1.89 1.81 0.00 795 L 7.66 4.54 0.00 1.74 1.73 0.83 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 796 S 7.91 4.08 0.00 3.89 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 0.00 797 A 7.97 4.44 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 0.00 798 V 7.11 4.40 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.98 0.00 0.00 799 D 8.28 4.67 0.00 2.96 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 0.00 800 A 8.42 4.04 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 801 H 8.23 4.10 0.00 3.27 3.47 0.00 5.88 0.00 0.00 0.00 0.00 6.90 0.00 0.00 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0.00 1.84 2.02 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.39 7.81 819 N 7.97 4.68 0.00 2.72 2.89 0.00 0.00 6.92 7.61 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 0.00 820 K 7.90 4.55 0.00 1.79 2.04 0.00 1.94 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.56 7.81 821 T 8.35 4.53 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 822 R 9.26 5.21 0.00 1.82 2.09 0.00 3.29 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.71 0.00 823 I 9.19 4.80 1.94 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 1.18 1.02 0.94 0.00 0.00 824 L 9.33 4.97 0.00 1.83 1.63 0.91 1.04 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 0.00 825 V 8.73 4.53 2.32 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 1.40 0.00 0.00 1.00 0.00 0.00 826 T 8.36 5.26 4.31 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 1.38 0.00 0.00 827 H 9.33 4.93 0.00 3.51 3.65 0.00 5.29 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 828 S 7.93 5.17 0.00 3.78 3.78 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 0.00 0.00 0.00 0.00 829 M 8.44 4.52 0.00 2.28 2.40 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 2.59 2.52 0.00 830 S 7.80 3.78 0.00 3.53 3.18 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 0.00 0.00 0.00 0.00 831 Y 7.43 4.25 0.00 2.65 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 0.00 0.00 0.00 832 L 7.89 4.12 0.00 2.09 2.08 1.47 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 833 P 0.00 3.88 0.00 1.73 1.60 0.00 3.29 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.62 0.00 834 Q 7.78 4.42 0.00 2.29 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 835 V 7.25 4.27 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 0.86 0.00 0.00 1.07 0.00 0.00 836 D 8.94 4.63 0.00 2.69 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 0.00 837 V 7.63 4.64 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 1.04 0.00 0.00 0.94 0.00 0.00 838 I 8.83 4.81 1.54 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.53 0.58 0.00 0.00 839 I 8.74 4.63 1.67 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.59 0.70 0.00 0.00 840 V 8.61 4.59 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 0.99 0.00 0.00 0.99 0.00 0.00 841 M 8.75 5.19 0.00 1.89 1.92 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 2.48 2.42 0.00 842 S 9.29 4.43 0.00 3.84 3.69 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 0.00 0.00 0.00 843 G 9.71 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 0.00 844 G 8.37 4.33 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 0.00 845 K 7.89 4.95 0.00 1.96 1.70 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.59 1.40 7.81 846 I 8.16 4.55 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.54 0.96 0.00 0.00 847 S 9.18 4.40 0.00 3.94 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 0.00 848 E 7.51 4.86 0.00 1.99 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 2.26 2.30 0.00 849 M 8.62 5.15 0.00 1.83 1.93 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 850 G 7.96 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 851 S 8.49 4.65 0.00 4.04 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 0.00 852 Y 8.80 3.86 0.00 3.23 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 0.00 853 Q 8.24 4.04 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.69 0.00 0.00 0.00 0.00 0.00 2.67 2.50 0.00 854 E 8.24 3.94 0.00 2.15 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 0.00 2.33 2.36 0.00 855 L 7.90 4.03 0.00 1.28 1.75 0.70 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 856 L 8.15 4.10 0.00 1.51 1.54 0.78 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 857 A 7.65 4.06 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 858 R 7.77 3.90 0.00 1.97 2.03 0.00 3.33 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 859 D 7.80 4.45 0.00 2.74 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 0.00 860 G 7.16 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 0.00 0.00 0.00 861 A 9.06 4.09 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 862 F 9.18 4.35 0.00 3.12 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 0.00 863 A 8.06 3.73 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 0.00 864 E 8.29 3.70 0.00 2.06 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 2.27 1.98 0.00 865 F 8.46 4.18 0.00 3.37 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 0.00 866 L 7.47 3.57 0.00 1.50 1.47 0.56 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 867 R 7.61 3.94 0.00 1.66 1.81 0.00 3.01 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 868 T 7.37 4.27 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 1.06 0.00 0.00 869 Y 7.18 4.64 0.00 2.87 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 0.00 870 A 7.17 3.90 0.70 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 0.00 0.00 871 S 8.73 4.41 0.00 3.93 3.88 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 *872 H 8.15 4.52 0.00 2.70 2.92 0.00 5.87 0.00 0.00 0.00 0.00 6.91 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.