NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 595 T 4.5875 8.1744 117.3305 63.4336 69.7350 173.2651 596 Y 4.1726 9.8617 128.7652 57.2752 40.2572 169.3433 597 V 4.2293 7.9531 118.4751 59.0470 34.9068 174.6798 598 D 4.2206 8.3444 125.0329 52.7317 41.4987 173.9318 599 P 4.3290 0.0000 0.0000 65.0990 31.6131 176.1156 600 H 4.7796 7.8806 112.3329 53.5925 31.2557 173.6449 *603 E 4.1270 8.4879 122.9689 56.0064 29.9842 174.8936 604 D 4.5650 7.7160 120.0150 52.1927 40.9420 175.3056 605 P 4.3927 0.0000 0.0000 66.1674 30.3875 176.3803 606 T 4.5117 7.1049 112.6866 62.9416 73.8920 173.2564 607 Q 4.3574 7.7792 123.6591 55.0379 29.9127 175.8669 608 T 4.2075 8.4301 117.7450 62.5449 68.1670 176.7419 609 V 3.7124 7.6034 120.8882 66.8777 31.7553 177.4236 610 H 4.6105 7.8906 114.5308 57.4380 28.8751 176.1392 611 E 3.7515 7.5780 119.2622 58.2399 29.7142 177.2394 612 F 4.8678 7.8197 113.7240 56.6029 40.2753 173.8793 613 A 4.8634 8.2430 124.4298 49.8863 21.9036 175.7161 614 K 4.2179 8.5046 124.5103 56.1550 33.7203 175.3544 615 E 4.7064 8.7690 128.7078 56.0592 30.0117 175.7374 616 L 4.5637 8.8167 127.9482 53.5624 43.6273 176.0736 617 D 4.5047 8.5220 121.5017 53.2522 41.8493 177.2132 618 A 4.0581 8.6723 130.1149 54.8721 18.6652 179.1128 619 T 3.9647 8.0904 105.6193 64.2720 68.9013 174.9635 620 N 4.6481 8.4318 118.8412 53.5452 39.0782 173.9576 621 I 5.0540 7.4976 120.3674 59.3513 39.2855 175.2346 622 S 4.8454 8.9849 121.3045 56.5535 66.0220 172.8476 623 I 4.2944 8.3455 122.8952 60.3273 38.1884 173.9337 624 D 4.7671 9.4327 127.3417 54.8286 41.1879 175.8753 625 K 4.7419 8.0505 115.7106 55.0875 37.0129 174.9230 626 V 4.2489 8.3797 121.6731 63.2780 31.7313 175.9499 627 V 4.4005 8.7417 119.6864 60.7652 33.7484 175.0055 628 G 4.1196 7.3847 106.3882 45.9496 0.0000 171.8751 629 A 5.1462 8.7568 120.5794 50.0805 22.3586 175.7911 630 G 4.2078 9.0323 110.1976 42.9784 0.0000 173.4297 631 E 3.7653 8.7819 119.0812 58.5321 29.5285 177.3910 632 F 4.7489 9.1989 114.5289 56.5148 40.5878 176.0528 633 G 3.7703 6.5166 105.7883 45.5833 0.0000 171.7493 634 E 4.6088 7.4045 119.1606 56.0452 31.4581 176.0442 635 V 4.9354 8.5379 121.2957 61.5379 34.3568 174.3442 636 C 5.4875 9.5132 124.5709 58.0574 32.8214 172.9135 637 S 5.0641 8.6485 115.1255 57.4231 65.6783 174.0657 638 G 3.9938 8.0084 105.3258 46.6913 0.0000 172.1617 639 R 5.2556 8.4011 118.6537 54.3217 34.8819 174.2494 640 L 5.1175 8.9951 124.5244 53.1414 45.0878 174.8642 641 K 4.7404 8.8852 128.5902 55.2551 32.9798 176.5475 642 L 4.4274 9.0695 128.1933 53.2167 42.6979 176.2628 643 P 4.2212 0.0000 0.0000 65.7438 31.2325 178.1459 644 S 4.2256 7.8627 110.1868 58.9215 63.1190 175.0459 645 K 4.1025 8.1970 120.4976 56.1445 31.0367 176.6781 646 K 4.0556 7.6189 120.9212 56.4585 32.6835 174.8051 647 E 5.3155 8.6226 124.4810 54.5599 31.6692 175.2506 648 I 4.7284 8.5890 117.1005 58.8896 41.4470 174.8587 649 S 4.9217 8.5725 119.1384 58.8125 63.6976 173.9968 650 V 4.7524 8.8072 115.4053 59.8860 36.5664 173.8641 651 A 5.1339 8.9438 124.4017 50.7355 21.4711 176.2406 652 I 4.9322 9.1065 121.6882 59.4498 40.8295 174.6068 653 K 5.2530 9.2995 127.0454 54.8267 34.5536 175.3904 654 T 5.0731 8.6358 114.7246 59.8049 71.8815 172.8605 655 L 4.0812 8.0712 126.3077 53.3555 43.0972 176.6127 656 K 4.1693 9.0204 126.3509 56.7626 33.7997 176.7522 657 V 3.7601 8.3182 121.8720 64.3797 32.0160 175.9839 658 G 3.7830 8.7867 114.0089 46.1229 0.0000 173.1792 659 Y 4.4576 7.1556 116.0510 56.8949 38.5875 176.8814 660 T 4.2798 9.1201 113.1360 61.3579 71.3434 175.6820 661 E 4.1219 8.7135 122.3468 59.2347 29.6330 179.0652 662 K 4.0273 8.0959 119.5742 59.4812 32.2727 178.6359 663 Q 4.2705 8.2116 118.4752 59.0497 28.6232 178.7431 664 R 3.6945 8.2272 119.6934 59.4179 30.0874 178.8647 665 R 3.8955 8.0676 117.8711 59.3199 29.7980 178.8061 666 D 4.3452 8.3061 118.8965 57.1983 39.8446 178.3924 667 F 3.5076 7.7933 121.3708 61.3003 39.3641 177.3200 668 L 4.0379 8.1970 118.4950 57.1355 41.2977 179.6561 669 G 3.6629 8.0770 106.2807 47.0125 0.0000 175.1603 670 E 4.2209 8.0503 122.4342 58.5438 29.5539 178.8687 671 A 3.8652 7.2584 121.2525 55.1092 18.1227 179.7594 672 S 4.0716 7.9694 112.5510 61.0228 63.0353 176.8709 673 I 3.5625 7.3783 123.4569 64.2610 37.1534 177.5374 674 M 3.4513 7.9396 119.3460 58.5808 31.7942 178.2970 675 G 4.0194 7.7060 105.0588 46.3361 0.0000 174.9552 676 Q 3.6624 7.0695 119.0531 56.0550 28.9733 175.7141 677 F 5.1426 6.9597 118.9467 55.5970 40.9586 174.9927 678 D 4.6898 8.8003 123.6812 52.8267 42.3372 173.5067 679 H 4.6321 8.1799 124.3718 53.5997 32.8751 172.6941 680 P 4.3070 0.0000 0.0000 65.0871 31.4001 176.7119 681 N 4.9687 8.4000 115.4917 52.7210 39.0033 173.1788 682 I 5.0654 7.5117 118.7833 59.0943 40.0133 175.7453 683 I 3.9409 8.6188 127.7397 62.0965 37.9046 175.5616 684 R 4.2338 9.2320 127.8629 55.5683 31.3243 174.8596 685 L 4.5066 8.4491 129.1193 54.8018 42.0413 176.1438 686 E 4.1258 9.3385 127.7166 57.2511 30.4109 177.3009 687 G 4.0056 6.8670 103.5569 46.4810 0.0000 171.4490 688 V 5.0635 8.2534 112.2541 59.4366 36.3857 175.3295 689 V 4.8887 8.7160 122.7178 61.7153 33.0586 176.0090 690 T 4.4275 9.6584 117.4644 61.5929 70.3746 174.9688 691 K 4.3416 8.3802 119.4043 56.8397 32.5198 176.3015 692 S 4.7679 7.6169 112.3053 56.4438 66.1097 173.1722 693 K 4.7844 8.2734 120.3157 53.5627 34.6489 174.6697 694 P 4.3991 0.0000 0.0000 62.5106 32.1085 176.3419 695 V 4.0374 8.1286 120.8210 63.5758 32.8072 174.5041 696 M 5.5733 9.2664 125.5981 53.7437 36.6913 174.1099 697 I 4.6870 8.9192 122.4858 59.4384 40.5523 174.5983 698 V 4.9398 8.8664 127.2787 61.3063 33.9209 174.4643 699 T 5.2272 8.8569 117.5462 58.8991 72.3494 174.9622 700 E 4.5461 8.5554 119.5337 56.0137 31.7013 179.0264 *702 M 4.1381 8.6858 118.0898 54.7203 32.1877 175.2794 703 E 3.9048 8.7261 125.4425 58.9099 29.9440 177.3967 704 N 4.6250 7.8949 113.1660 52.3699 39.4375 177.2159 705 G 3.8422 7.8989 107.7994 45.9870 0.0000 173.2716 706 S 4.6592 8.3711 116.3521 58.1922 64.8287 174.8389 707 L 4.1047 8.8258 128.1228 58.1041 42.0217 179.2505 708 D 4.4377 8.1271 119.0141 56.6654 39.2455 178.6279 709 S 4.2087 8.0791 114.4440 60.7230 63.2652 175.6164 710 F 4.4304 8.4029 124.2988 61.3344 39.2165 177.2225 711 L 4.2075 8.4310 118.5910 57.8692 41.1659 179.7335 712 R 4.1434 7.9573 117.3148 58.8803 30.0536 178.5217 713 K 4.1797 7.6367 116.1852 57.5500 32.5267 176.7675 714 H 4.8909 7.8955 116.8406 53.4127 29.8215 172.7912 715 D 3.7254 8.2377 118.1204 55.8251 41.0877 175.6617 716 A 3.1631 5.8000 126.8896 52.9910 15.6770 177.5030 717 Q 4.2231 7.5212 116.4632 56.9028 29.6076 175.5502 718 F 5.2126 7.7809 116.8056 55.6806 41.6032 176.1812 719 T 4.3227 8.9683 113.8642 61.3697 70.7575 176.0067 720 V 3.6337 8.3507 121.3223 66.4392 31.5243 178.3957 721 I 3.7288 7.7659 119.0193 64.2794 36.9981 178.2523 722 Q 3.9635 8.1899 119.0313 58.9820 28.5995 178.8320 723 L 3.8915 7.9029 119.9744 57.8007 41.6145 179.7982 724 V 3.7248 8.2364 118.6874 65.7370 31.4518 178.2232 725 G 3.6478 8.2689 105.6793 48.0684 0.0000 175.4533 726 M 4.0161 7.8780 121.0945 58.2316 31.9522 178.9759 727 L 4.0935 8.0122 119.0092 57.6679 41.6787 179.5393 728 R 4.0171 8.6151 119.4140 59.2328 29.9936 178.7701 729 G 3.6195 8.0467 105.4346 47.9271 0.0000 175.5948 730 I 3.7190 7.8011 122.5186 64.0825 37.1008 178.4136 731 A 3.7308 8.3732 121.6257 55.0315 18.2499 179.6675 732 S 4.0802 8.4122 112.0527 61.3894 62.4856 176.5914 733 G 3.4491 8.1518 108.4723 48.1539 0.0000 175.6176 734 M 3.6506 7.8721 121.2923 57.4638 31.5860 178.7687 735 K 3.9565 7.8280 121.4969 59.0764 32.3709 178.2943 736 Y 4.1273 7.7303 119.4091 60.5670 38.7122 177.7453 737 L 3.4071 7.7819 120.2298 57.6423 41.4078 179.7111 738 S 4.1703 8.2116 114.4969 61.5584 62.7361 176.1647 739 D 4.4622 8.1017 121.8459 57.1700 40.5412 177.8920 740 M 4.3316 7.7871 117.3033 55.2172 31.9290 177.5933 741 G 3.9601 7.8868 107.4048 45.9177 0.0000 172.3825 742 Y 4.1703 7.8259 120.6809 55.5263 39.5554 174.9447 743 V 4.1515 7.4073 127.0753 61.4271 32.7699 174.8514 744 H 3.9503 9.6715 128.1931 58.8862 29.8318 177.5667 745 R 4.1571 8.3922 114.4616 56.6375 28.7233 176.1268 746 D 4.7654 7.8729 115.4450 53.3406 42.0822 174.6588 747 L 3.7765 8.1466 119.3363 54.8622 42.2388 175.8663 748 A 4.5578 7.9835 126.9763 50.6185 22.1607 176.4798 749 A 4.0182 9.4189 124.1019 55.1644 18.5892 180.5952 750 R 4.6048 7.7965 110.3218 58.1486 29.9213 176.8548 751 N 4.8422 8.2280 115.8717 52.8794 39.9682 173.9474 752 I 4.9244 7.5972 120.4546 59.5357 40.0550 174.7715 753 L 5.1717 8.6180 125.7684 53.0675 45.1310 175.2457 754 I 4.9957 8.4514 121.3472 59.4171 41.5892 174.8357 755 N 5.2823 8.5673 127.2432 51.2824 39.6805 175.8108 756 S 4.2063 8.7156 112.4090 61.2251 62.9628 174.6598 757 N 4.6491 8.2103 116.1291 52.6719 38.3497 175.0105 758 L 3.5008 7.7986 116.3581 55.2469 39.8502 174.3092 759 V 3.8499 7.9473 120.2214 62.9108 32.4079 174.6519 760 C 5.2737 8.5842 125.2603 58.3229 30.2750 173.3289 761 K 4.7778 8.7553 121.1706 54.5047 36.5433 175.9536 762 V 3.9530 8.9188 125.3115 63.3134 32.6999 174.9882 763 S 4.8906 7.8826 121.4612 57.4584 65.7225 171.6893 764 D 4.2211 8.5417 115.6879 55.0569 38.4874 174.4651 765 F 4.9013 8.8040 126.2330 56.2080 40.3600 176.4596 766 G 3.9717 7.5613 113.2364 45.5066 0.0000 176.3073 *785 K 4.0691 8.8696 119.7203 56.0881 33.1081 175.4054 786 I 4.2954 8.0220 124.0985 59.8151 40.0776 173.4072 787 P 4.6887 0.0000 0.0000 61.9463 30.4230 176.9631 788 I 3.7330 8.4492 127.2704 64.9344 37.3413 179.1428 789 R 3.6879 8.1399 117.2607 58.1004 29.8098 177.2793 790 W 4.7317 8.4635 115.6715 56.6662 30.0549 175.4965 791 T 4.7171 7.5772 115.8214 61.6428 69.7159 175.5450 792 S 2.7900 7.9862 120.1236 57.1147 64.9655 173.6905 793 P 3.8845 0.0000 0.0000 65.5895 31.0557 178.8758 794 E 3.9153 7.7254 115.7413 59.1361 29.6116 178.9314 795 A 3.3335 7.2832 121.7738 54.5149 18.0158 179.7019 796 I 3.4974 7.2929 117.3472 64.3282 37.2452 178.2583 797 A 4.2540 7.8917 120.8758 54.7096 17.0380 179.1328 798 Y 4.7496 7.9228 115.0618 56.6302 38.4409 175.2311 799 R 3.6985 7.6354 116.3142 58.0966 28.1150 177.6720 800 K 3.8022 6.2936 118.9557 55.2491 30.4901 174.1933 801 F 4.6039 8.1507 122.3507 55.5588 40.6015 175.5121 802 T 4.7627 8.8074 115.0206 59.1275 72.1730 174.8657 803 S 4.2820 8.7132 116.4111 61.6205 62.6078 176.7611 804 A 4.0227 7.8654 123.5055 54.8293 18.0740 179.7554 805 S 4.2530 8.0630 112.9334 61.6245 63.1024 176.4812 806 D 4.6182 8.1937 122.1951 57.1682 40.6478 178.5954 807 V 3.3497 8.0144 119.0083 65.4701 31.5592 177.6216 808 W 4.5729 8.2138 129.4602 60.2181 30.4733 177.9577 809 S 4.7837 8.5175 116.1285 61.4006 62.3206 176.1069 810 Y 4.2173 8.7953 122.6715 60.7064 38.5700 178.3232 811 G 3.4033 8.3528 106.6281 47.8680 0.0000 175.6956 812 I 4.0375 7.9543 121.7032 64.2113 37.0742 178.5829 813 V 3.9049 8.2693 119.4559 65.9673 31.3131 177.5950 814 L 3.7336 7.9846 120.3858 57.9832 41.8349 178.8541 815 W 4.1144 8.3572 128.0632 60.4919 30.7107 177.6631 816 E 4.0235 8.8485 119.0349 59.4870 28.9464 179.6534 817 V 3.4349 8.0447 118.3823 66.3151 31.4868 177.9886 818 M 4.0265 7.7772 116.2149 57.2126 31.5022 177.7577 819 S 4.3676 7.4338 114.5099 57.0141 63.3508 173.4766 820 Y 3.1042 8.5617 118.4727 59.2259 35.6401 171.2469 821 G 3.9907 8.7375 103.9584 45.8823 0.0000 174.1985 822 E 4.1814 7.4360 117.5954 56.0375 30.1902 176.8987 823 R 4.2657 8.6508 122.1736 55.1277 30.8459 174.1764 824 P 3.2374 0.0000 0.0000 63.9082 31.7661 175.6044 825 Y 2.6381 6.4669 118.1231 57.2741 36.4283 170.7044 826 W 3.5145 6.4476 122.1115 58.5757 28.7996 175.3645 827 E 4.8030 8.9959 122.5432 56.9143 29.3962 175.7034 828 M 4.1492 8.0065 118.2740 55.4507 32.7981 177.2517 829 S 4.1247 8.6862 115.9090 58.9544 64.0443 174.9910 830 N 4.2195 8.8889 126.1476 56.6747 38.4010 177.4421 831 Q 3.9607 8.0310 118.2837 59.4430 28.5179 178.3475 832 D 4.3236 7.8387 120.2476 56.7202 40.9945 178.5800 833 V 3.2211 7.7608 118.9385 65.8825 31.4306 178.1572 834 I 3.4790 7.6036 119.3477 64.2482 36.9445 178.4454 835 K 3.8828 8.0135 120.1534 59.2843 32.0317 178.7007 836 A 3.9801 8.2863 121.5099 55.2586 18.3661 179.7811 837 V 4.0064 7.6167 118.1194 65.7211 31.3543 177.6572 838 D 4.3545 7.8514 116.8195 57.3380 41.1779 177.5580 839 E 4.2674 8.2414 116.7742 57.1979 29.8704 177.6684 840 G 4.0430 8.2197 108.2360 44.8963 0.0000 173.1470 841 Y 4.7176 8.1840 118.2220 58.0967 39.1541 175.1046 842 R 4.6615 9.2532 120.9014 53.9103 35.1461 174.6786 843 L 4.0312 7.5938 120.7502 54.3519 41.9648 175.7522 844 P 4.7601 0.0000 0.0000 61.1391 32.5202 174.1956 845 P 3.9515 0.0000 0.0000 61.8946 31.7046 174.7543 846 P 4.3010 0.0000 0.0000 62.2110 31.9514 175.3291 847 M 4.1644 8.3697 119.9407 57.2399 32.4883 175.5298 848 D 4.4172 8.7137 123.6976 55.2816 38.9775 173.0597 849 C 4.2993 7.7238 119.1922 58.1145 32.3097 171.1882 850 P 4.7143 0.0000 0.0000 62.7500 32.6578 177.0363 851 A 4.2106 9.3473 125.6379 54.7901 18.4589 180.0105 852 A 3.9353 8.0821 118.5278 55.4609 18.3993 179.6532 853 L 4.0178 7.8277 116.7552 57.7061 41.8709 178.7515 854 Y 4.1319 8.0669 119.6793 60.6503 38.6608 177.6489 855 Q 3.7301 8.4164 120.9234 59.0907 29.0065 178.1740 856 L 3.7790 7.6078 120.9280 58.1890 42.0869 178.7351 857 M 3.0435 7.5940 118.4815 58.1071 31.5494 178.6212 858 L 3.7414 6.8659 117.4013 57.8358 41.8846 179.1451 859 D 4.3822 8.0336 118.9363 57.6180 40.5632 178.6862 860 C 4.0828 7.9787 117.2001 61.6785 27.6613 174.9987 861 W 3.8939 6.9244 118.9476 55.2608 29.6935 176.3484 862 Q 4.2123 7.3056 118.7326 55.7926 28.8284 176.6590 863 K 4.0711 8.9839 123.8250 59.4868 32.5951 176.4839 864 D 4.6099 8.0709 120.4887 53.1342 41.1613 176.6934 865 R 4.0533 8.6880 124.4380 59.2335 29.6087 178.5199 866 N 4.4401 8.4699 115.1483 55.4240 38.5519 175.4083 867 N 4.6783 7.9212 113.9669 53.4514 39.2232 175.7466 868 R 4.3290 7.4384 118.1688 54.8578 30.8283 174.7920 869 P 4.5066 0.0000 0.0000 62.5006 32.2901 176.8955 870 K 4.1760 8.9214 119.7099 55.7005 34.2175 178.4340 871 F 4.0827 8.4588 119.6789 60.8287 38.7849 177.5577 872 E 3.9644 8.2749 118.4463 59.4319 29.3295 178.8295 873 Q 4.0006 7.8764 117.6676 58.8143 28.8516 178.4352 874 I 3.6200 7.7093 120.9469 64.2885 37.0314 178.6068 875 V 3.5798 7.9320 119.1056 66.1553 31.3771 178.2296 876 S 4.1160 8.0661 114.8599 61.6014 62.7425 176.7482 877 I 3.6992 8.0088 122.6988 64.4953 36.8439 178.5789 878 L 4.0597 8.0915 119.7837 57.7809 41.4184 179.1796 879 D 4.3726 8.4504 119.2709 57.3941 40.7579 179.0638 880 K 4.0032 8.1535 118.9317 59.4465 31.9735 179.4574 881 L 4.0526 7.8709 118.8500 57.7242 41.2688 179.6101 882 I 3.8377 7.7586 119.2294 64.4667 37.1222 178.4239 883 R 4.1695 8.0772 117.8661 57.4792 31.4521 176.4832 884 N 5.0357 8.0859 116.7622 50.4286 38.8336 172.8026 885 P 4.5126 0.0000 0.0000 64.9539 31.6920 178.5876 886 G 3.7496 8.2318 105.2838 48.0200 0.0000 175.3608 887 S 4.1834 8.3765 117.3343 61.5693 62.6219 176.2965 888 L 4.2869 7.7146 119.4858 56.2812 41.5417 178.7658 889 K 4.3604 7.9047 118.1250 57.3179 32.3383 176.9468 890 I 3.9647 7.2698 120.0871 61.0370 36.8942 174.5434 891 I 4.8963 7.9872 126.4821 58.5351 39.1538 175.9639 892 T 4.2696 8.5928 121.9570 63.6405 70.5479 176.4200 *900 N 4.5114 8.9154 128.2367 54.3384 39.4379 172.2787 901 L 4.7369 8.7668 125.5260 54.5834 43.2762 175.8985 902 L 4.8785 8.9289 122.2294 53.0038 44.1385 175.4568 903 L 3.9795 8.4974 126.3372 53.7720 42.5060 176.8862 904 D 4.7820 8.1960 126.3375 51.8044 39.1871 175.5000 905 Q 3.9202 7.7502 120.6553 57.9529 30.3334 175.8188 906 S 4.0585 8.7407 119.6858 59.2307 63.1171 172.1134 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 4.59 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 1.25 0.00 0.00 596 Y 9.86 4.17 0.00 3.18 3.10 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 0.00 597 V 7.95 4.23 1.93 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 0.64 0.00 0.00 0.84 0.00 0.00 598 D 8.34 4.22 0.00 2.71 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 0.00 599 P 0.00 4.33 0.00 2.12 2.16 0.00 3.76 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 2.09 2.08 0.00 600 H 7.88 4.78 0.00 3.15 3.25 0.00 5.78 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *603 E 8.49 4.13 0.00 1.99 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 2.20 2.32 0.00 604 D 7.72 4.56 0.00 2.81 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 0.00 605 P 0.00 4.39 0.00 2.19 2.25 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 606 T 7.10 4.51 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 1.22 0.00 0.00 607 Q 7.78 4.36 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.95 0.00 0.00 0.00 0.00 0.00 2.17 2.34 0.00 608 T 8.43 4.21 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 609 V 7.60 3.71 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 0.84 0.00 0.00 0.92 0.00 0.00 610 H 7.89 4.61 0.00 3.13 3.27 0.00 5.83 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 7.58 3.75 0.00 1.72 1.55 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 1.47 1.78 0.00 612 F 7.82 4.87 0.00 2.98 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 8.24 4.86 1.20 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 0.00 0.00 614 K 8.50 4.22 0.00 1.85 1.68 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.43 7.81 615 E 8.77 4.71 0.00 2.03 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 616 L 8.82 4.56 0.00 1.53 1.57 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 617 D 8.52 4.50 0.00 2.67 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 0.00 618 A 8.67 4.06 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 8.09 3.96 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 8.43 4.65 0.00 2.96 3.03 0.00 0.00 6.67 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 0.00 621 I 7.50 5.05 1.99 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 1.29 0.59 0.93 0.00 0.00 622 S 8.98 4.85 0.00 3.86 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 0.00 623 I 8.35 4.29 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 1.25 0.63 0.93 0.00 0.00 624 D 9.43 4.77 0.00 2.62 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 0.00 625 K 8.05 4.74 0.00 1.87 1.84 0.00 1.38 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.40 7.81 626 V 8.38 4.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.99 0.00 0.00 627 V 8.74 4.40 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 0.81 0.00 0.00 0.99 0.00 0.00 628 G 7.38 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 629 A 8.76 5.15 1.19 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 0.00 0.00 0.00 0.00 0.00 630 G 9.03 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 8.78 3.77 0.00 1.67 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 1.47 1.95 0.00 632 F 9.20 4.75 0.00 3.10 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 0.00 633 G 6.52 3.77 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 0.00 0.00 0.00 634 E 7.40 4.61 0.00 1.80 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 2.34 2.27 0.00 635 V 8.54 4.94 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 0.92 0.00 0.00 1.00 0.00 0.00 636 C 9.51 5.49 0.00 2.84 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 0.00 637 S 8.65 5.06 0.00 3.87 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 0.00 638 G 8.01 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 639 R 8.40 5.26 0.00 1.69 1.77 0.00 3.40 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 1.54 1.70 0.00 640 L 9.00 5.12 0.00 1.70 1.47 0.92 0.49 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 8.89 4.74 0.00 1.79 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 1.41 7.81 642 L 9.07 4.43 0.00 1.75 1.57 0.92 0.88 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 4.22 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 7.86 4.23 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 8.20 4.10 0.00 1.93 2.12 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.49 7.81 646 K 7.62 4.06 0.00 1.73 1.67 0.00 1.58 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 8.62 5.32 0.00 1.86 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 2.21 2.43 0.00 648 I 8.59 4.73 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 1.32 1.34 0.91 0.00 0.00 649 S 8.57 4.92 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 8.81 4.75 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 0.72 0.00 0.00 0.91 0.00 0.00 651 A 8.94 5.13 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 9.11 4.93 1.91 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 0.72 0.96 0.00 0.00 653 K 9.30 5.25 0.00 1.82 2.01 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.42 7.81 654 T 8.64 5.07 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 8.07 4.08 0.00 0.45 1.12 0.40 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 656 K 9.02 4.17 0.00 1.84 2.02 0.00 1.40 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.48 7.81 657 V 8.32 3.76 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 8.79 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 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 9.12 4.28 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 1.25 0.00 0.00 661 E 8.71 4.12 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 8.10 4.03 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 2.98 0.00 0.00 0.00 0.00 1.60 1.59 7.81 663 Q 8.21 4.27 0.00 2.55 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.72 2.55 0.00 664 R 8.23 3.69 0.00 1.79 2.11 0.00 3.14 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.38 0.00 665 R 8.07 3.90 0.00 2.07 1.96 0.00 3.19 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 666 D 8.31 4.35 0.00 2.77 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 0.00 667 F 7.79 3.51 0.00 2.14 2.83 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 0.00 668 L 8.20 4.04 0.00 1.72 1.59 0.87 0.71 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 0.00 669 G 8.08 3.66 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 0.00 0.00 0.00 670 E 8.05 4.22 0.00 2.05 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 2.26 2.28 0.00 671 A 7.26 3.87 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 0.00 672 S 7.97 4.07 0.00 4.11 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 0.00 673 I 7.38 3.56 1.95 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 1.65 0.93 0.62 0.00 0.00 674 M 7.94 3.45 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 675 G 7.71 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 0.00 0.00 0.00 676 Q 7.07 3.66 0.00 0.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.54 0.00 0.00 0.00 0.00 0.00 1.16 1.37 0.00 677 F 6.96 5.14 0.00 2.91 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 8.80 4.69 0.00 2.58 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 8.18 4.63 0.00 2.91 3.05 0.00 5.73 0.00 0.00 0.00 0.00 6.62 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 4.31 0.00 2.14 2.09 0.00 3.04 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.82 0.00 681 N 8.40 4.97 0.00 2.95 2.90 0.00 0.00 6.93 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 682 I 7.51 5.07 1.98 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 1.27 0.62 1.06 0.00 0.00 683 I 8.62 3.94 2.03 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 1.31 0.79 0.96 0.00 0.00 684 R 9.23 4.23 0.00 1.95 1.85 0.00 3.08 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 685 L 8.45 4.51 0.00 1.62 1.52 0.95 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 9.34 4.13 0.00 2.01 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 2.34 2.41 0.00 687 G 6.87 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 688 V 8.25 5.06 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 0.57 0.00 0.00 0.93 0.00 0.00 689 V 8.72 4.89 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 1.11 0.00 0.00 1.00 0.00 0.00 690 T 9.66 4.43 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 1.17 0.00 0.00 691 K 8.38 4.34 0.00 1.78 1.90 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.63 7.81 692 S 7.62 4.77 0.00 3.92 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 0.00 693 K 8.27 4.78 0.00 1.79 1.82 0.00 1.84 0.00 0.00 1.96 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.44 7.81 694 P 0.00 4.40 0.00 2.17 2.07 0.00 3.79 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 695 V 8.13 4.04 1.89 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 1.13 0.00 0.00 0.82 0.00 0.00 696 M 9.27 5.57 0.00 2.00 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 2.74 2.54 0.00 697 I 8.92 4.69 1.69 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.39 0.78 0.00 0.00 698 V 8.87 4.94 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 1.10 0.00 0.00 0.94 0.00 0.00 699 T 8.86 5.23 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 8.56 4.55 0.00 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2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.54 0.00 794 E 7.73 3.92 0.00 2.11 2.14 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 2.17 2.13 0.00 795 A 7.28 3.33 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 796 I 7.29 3.50 1.82 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.48 0.81 0.00 0.00 797 A 7.89 4.25 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.92 4.75 0.00 3.05 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 0.00 799 R 7.64 3.70 0.00 2.01 2.20 0.00 3.22 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 800 K 6.29 3.80 0.00 0.79 1.13 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.75 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.19 1.20 7.81 801 F 8.15 4.60 0.00 3.02 2.88 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 0.00 810 Y 8.80 4.22 0.00 3.48 3.31 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 0.00 811 G 8.35 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 812 I 7.95 4.04 2.26 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.04 0.55 0.00 0.00 813 V 8.27 3.90 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.21 0.00 0.00 814 L 7.98 3.73 0.00 1.43 1.72 0.87 0.90 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 0.00 815 W 8.36 4.11 0.00 3.72 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 816 E 8.85 4.02 0.00 2.36 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 0.00 2.67 2.86 0.00 817 V 8.04 3.43 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 0.94 0.00 0.00 818 M 7.78 4.03 0.00 1.95 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 2.82 0.00 819 S 7.43 4.37 0.00 3.21 3.31 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 0.00 820 Y 8.56 3.10 0.00 3.17 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 0.00 821 G 8.74 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 822 E 7.44 4.18 0.00 1.85 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 0.00 2.47 2.48 0.00 823 R 8.65 4.27 0.00 2.00 1.93 0.00 3.33 0.00 0.00 3.50 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.78 0.00 824 P 0.00 3.24 0.00 1.27 1.12 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 0.97 1.97 0.00 825 Y 6.47 2.64 0.00 2.85 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 6.45 3.51 0.00 3.64 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 9.00 4.80 0.00 2.03 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 2.31 2.42 0.00 828 M 8.01 4.15 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.08 2.63 0.00 829 S 8.69 4.12 0.00 3.88 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 0.00 830 N 8.89 4.22 0.00 2.82 2.82 0.00 0.00 6.88 7.84 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 0.00 831 Q 8.03 3.96 0.00 2.24 2.34 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 2.39 2.42 0.00 832 D 7.84 4.32 0.00 2.83 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 833 V 7.76 3.22 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 0.07 0.00 0.00 0.70 0.00 0.00 834 I 7.60 3.48 1.91 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 1.28 0.33 0.82 0.00 0.00 835 K 8.01 3.88 0.00 1.93 1.75 0.00 1.50 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.58 7.81 836 A 8.29 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 7.62 4.01 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 1.42 0.00 0.00 0.85 0.00 0.00 838 D 7.85 4.35 0.00 2.75 2.83 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 0.00 839 E 8.24 4.27 0.00 2.39 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 0.00 2.41 2.56 0.00 840 G 8.22 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 841 Y 8.18 4.72 0.00 3.07 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 842 R 9.25 4.66 0.00 1.88 1.76 0.00 3.16 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.05 0.00 843 L 7.59 4.03 0.00 0.68 0.44 -0.95 -1.13 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 4.76 0.00 2.34 2.37 0.00 3.93 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 845 P 0.00 3.95 0.00 1.88 1.01 0.00 3.66 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.55 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 1.84 1.25 0.00 847 M 8.37 4.16 0.00 1.96 1.96 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 2.55 0.00 848 D 8.71 4.42 0.00 2.86 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 0.00 849 C 7.72 4.30 0.00 3.07 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 4.71 0.00 2.21 2.11 0.00 3.68 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 851 A 9.35 4.21 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 8.08 3.94 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 4.02 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 8.07 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 8.42 3.73 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 856 L 7.61 3.78 0.00 1.86 1.72 0.84 0.89 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 7.59 3.04 0.00 0.51 1.45 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.22 0.00 858 L 6.87 3.74 0.00 1.47 1.56 0.76 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 859 D 8.03 4.38 0.00 2.66 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 7.98 4.08 0.00 2.46 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 0.00 861 W 6.92 3.89 0.00 3.01 2.24 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 0.00 862 Q 7.31 4.21 0.00 2.06 2.10 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 4.07 0.00 1.80 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 1.48 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 8.69 4.05 0.00 2.06 2.20 0.00 3.01 0.00 0.00 3.31 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 8.47 4.44 0.00 2.88 2.93 0.00 0.00 6.99 7.57 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 0.00 867 N 7.92 4.68 0.00 2.88 2.86 0.00 0.00 7.01 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 868 R 7.44 4.33 0.00 1.85 1.81 0.00 3.37 0.00 0.00 3.64 7.37 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 4.51 0.00 2.05 1.96 0.00 3.65 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 1.82 1.86 0.00 870 K 8.92 4.18 0.00 1.74 1.75 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.60 7.81 871 F 8.46 4.08 0.00 3.04 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 0.00 872 E 8.27 3.96 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 2.43 0.00 873 Q 7.88 4.00 0.00 2.25 2.09 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 7.71 3.62 1.88 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.64 0.66 0.00 0.00 875 V 7.93 3.58 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 1.13 0.00 0.00 0.99 0.00 0.00 876 S 8.07 4.12 0.00 4.07 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 8.01 3.70 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 1.00 0.89 0.00 0.00 878 L 8.09 4.06 0.00 1.71 1.73 1.02 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 879 D 8.45 4.37 0.00 2.82 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 8.15 4.00 0.00 1.99 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.65 7.81 881 L 7.87 4.05 0.00 1.87 1.72 0.92 0.74 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 3.84 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 1.52 0.60 0.91 0.00 0.00 883 R 8.08 4.17 0.00 1.91 1.99 0.00 3.10 0.00 0.00 3.15 7.62 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 8.09 5.04 0.00 2.76 2.77 0.00 0.00 6.81 7.04 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 0.00 885 P 0.00 4.51 0.00 2.31 2.31 0.00 4.00 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.90 0.00 886 G 8.23 3.75 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 0.00 0.00 0.00 887 S 8.38 4.18 0.00 3.97 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 0.00 888 L 7.71 4.29 0.00 1.77 1.73 0.93 0.71 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 7.90 4.36 0.00 1.82 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 1.61 7.81 890 I 7.27 3.96 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 7.99 4.90 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 1.51 0.82 0.94 0.00 0.00 892 T 8.59 4.27 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 1.18 0.00 0.00 *900 N 8.92 4.51 0.00 2.70 2.78 0.00 0.00 6.87 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 8.77 4.74 0.00 1.73 1.94 1.04 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 902 L 8.93 4.88 0.00 1.76 1.69 1.02 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 0.00 903 L 8.50 3.98 0.00 0.65 1.32 0.46 0.96 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 0.00 904 D 8.20 4.78 0.00 2.76 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 0.00 905 Q 7.75 3.92 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.56 6.18 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 906 S 8.74 4.06 0.00 4.01 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 * Residues marked with a * may have inaccurate shift predictions.