NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 575 N 4.7859 8.4249 117.7900 52.3462 39.9178 175.6891 576 K 3.9542 7.9329 118.4024 58.5914 32.8390 177.0103 *577 L 4.7169 7.8984 120.7767 54.4616 41.1600 179.6297 578 E 4.7944 7.6457 113.3513 55.5267 32.6799 178.8426 579 D 4.5416 7.7060 118.4118 56.3338 39.9113 177.9629 580 V 3.7531 7.5981 119.2146 63.3244 32.1367 175.8534 581 V 4.2666 7.1835 121.7508 62.7440 31.9713 175.2077 582 I 4.5069 8.8138 129.3306 59.0056 39.5608 174.8157 583 D 4.2307 8.8080 125.9132 54.8442 41.5428 176.8365 584 R 3.8497 9.0823 127.0691 59.5390 30.1081 177.0267 585 N 4.6330 8.2132 111.8365 53.1645 37.6359 175.1317 586 L 4.4215 8.0608 118.7243 54.9383 42.1689 175.3771 587 L 5.3002 7.6737 121.2017 53.1745 44.9027 175.6050 588 I 4.6149 8.5234 125.8435 59.5359 40.4628 174.5798 589 L 4.7558 8.6968 126.7927 52.8309 42.9674 176.8055 590 G 4.1966 8.8255 109.6887 46.3175 0.0000 174.8480 591 K 4.4083 8.8853 124.5209 55.8602 33.4986 175.7778 592 I 4.3666 8.2036 124.1363 61.3235 37.6550 176.3257 593 L 4.3119 9.1044 126.4526 57.0046 42.3554 177.2115 594 G 4.1588 7.5317 104.1748 44.9992 0.0000 171.5098 595 E 5.0239 7.7740 119.3060 53.9988 33.0278 174.9384 *599 G 3.6968 8.5036 112.7487 45.5037 0.0000 171.5269 600 S 4.9539 8.3460 118.7841 56.6692 66.5828 173.0002 601 V 5.0499 9.2639 126.2982 60.2499 33.9925 174.4208 602 M 5.4202 9.3954 123.7682 53.1228 36.3764 174.7337 603 E 4.5280 8.9311 120.1954 56.8036 31.5516 176.0302 604 G 4.3114 9.1533 108.1783 45.6590 0.0000 170.7259 605 N 5.5823 9.0046 116.1716 51.1427 42.3531 173.7826 606 L 5.1275 8.9000 125.3036 52.9047 44.8494 175.1281 607 K 4.3815 9.0184 129.3005 56.5363 32.6896 176.5867 608 Q 4.4605 9.2847 127.1702 54.3998 30.5235 176.6944 609 E 3.8892 8.8055 121.1036 59.3060 29.7903 177.5558 610 D 4.3340 8.0621 117.3690 55.7599 41.2421 177.0373 611 G 3.9952 8.2860 107.1519 44.9102 0.0000 173.4645 612 T 4.4796 7.5262 109.4952 60.9445 71.2198 173.6724 613 S 5.2618 8.4686 118.0520 56.7934 65.3062 173.3430 614 L 4.7953 8.7007 125.6540 52.9166 45.3128 175.1230 615 K 4.6383 8.5217 126.2757 56.3560 33.5885 175.8888 616 V 5.2168 8.8884 119.7693 59.5845 36.3298 174.1258 617 A 5.1557 8.9522 125.1793 50.7096 21.0351 176.1623 618 V 4.7952 9.4615 124.1659 60.9320 34.1655 174.1221 619 K 5.0350 8.7868 129.7272 54.8274 34.3850 174.7295 620 T 5.0251 8.5470 118.1397 60.0694 70.5458 172.5315 621 M 4.3106 8.5731 126.0968 55.6112 37.4251 176.2318 *633 E 4.4218 9.3675 126.5460 56.5995 31.2212 176.0345 634 F 5.0176 7.9115 108.4088 56.2229 39.5455 176.0799 635 L 3.8100 7.9537 121.6202 56.7737 41.5045 178.7506 636 S 4.0180 7.8348 113.7963 61.0362 62.5729 175.3722 637 E 3.9457 8.0309 121.3418 59.3178 29.5296 178.4078 638 A 3.8869 7.2821 119.8363 55.1252 18.1324 179.4999 639 A 3.8688 7.8507 118.4522 55.1164 18.7336 179.2214 640 C 3.9674 7.8135 117.3772 62.8980 31.6793 175.7782 641 M 2.5500 7.8295 120.5793 57.6217 31.2108 178.6622 642 K 4.1844 7.7642 120.7018 58.4884 32.4161 177.7769 643 D 4.8298 7.3030 116.8039 54.1097 41.2317 176.5052 644 F 4.8626 7.5366 118.7533 57.8910 37.8502 174.8403 645 S 4.5788 8.5430 121.4233 56.1316 62.0644 171.8683 646 H 4.6016 7.6283 123.7429 52.7626 32.8809 172.5164 647 P 4.2279 0.0000 0.0000 65.3741 31.3422 176.6536 648 N 5.0769 8.0585 114.5207 51.9385 38.7359 173.6339 649 V 4.6615 7.5307 118.3425 60.7402 34.0246 175.2429 650 I 3.8774 8.8578 128.9853 61.3372 38.7217 174.8063 651 R 4.6124 8.3791 128.9755 54.3579 31.5311 175.5823 652 L 4.0646 8.5279 128.7769 55.2933 42.7800 177.1690 653 L 4.2269 9.1974 126.6739 55.1522 42.7738 177.1248 654 G 4.0688 6.9140 104.5359 46.2981 0.0000 171.3441 655 V 5.1316 8.4949 112.7942 59.6641 35.0975 175.1465 656 C 5.0987 9.0614 121.7151 58.2197 31.0901 173.2968 657 I 5.0716 7.9472 121.1516 58.0981 40.3271 173.4301 *665 P 4.2985 0.0000 0.0000 62.0935 32.8881 177.0080 666 K 4.3321 7.6540 118.3127 53.9341 32.1348 173.5479 667 P 4.8165 0.0000 0.0000 62.8044 33.0718 175.1268 668 M 5.2836 9.5523 122.4437 53.7547 35.5230 174.7397 669 V 4.4837 9.0037 117.8658 60.0499 34.0773 174.9704 670 I 4.6690 8.4206 126.4872 59.6852 39.0602 174.7783 671 L 5.0858 8.5803 126.6197 51.7887 45.6327 174.5047 672 P 4.5550 0.0000 0.0000 62.9974 32.0935 175.6242 673 F 4.3370 8.8619 126.7256 57.7314 40.4938 174.8366 674 M 4.3042 7.7004 126.3625 53.2952 32.2087 176.9941 675 K 4.2786 8.3868 124.2754 59.5982 33.0402 177.6483 676 Y 4.5884 7.6569 115.2071 58.0400 38.7162 176.6577 677 G 3.7806 7.8485 109.6585 44.9577 0.0000 172.7711 678 D 4.9904 8.1672 117.9836 52.7518 41.8393 176.8505 679 L 3.7943 8.7369 123.0535 58.2783 42.1665 178.7486 680 H 4.0647 8.0979 117.9007 59.8771 29.7866 177.4430 681 T 3.6241 8.1132 117.2519 66.3841 68.1488 176.2010 682 Y 3.9894 7.5728 121.4289 60.6170 38.6491 177.7514 683 L 3.9820 8.0003 118.9115 57.9061 42.0402 179.3102 684 L 4.0805 7.6097 118.2324 58.1329 41.5227 179.2057 685 Y 4.4738 7.9616 116.9269 61.0654 37.5373 178.7141 686 S 4.5509 7.6729 115.1373 59.9100 63.1277 175.5903 687 R 4.4171 7.5409 120.3353 55.2574 30.2952 175.6993 688 L 4.8839 7.3573 119.2375 52.4422 45.2762 176.1613 689 E 4.3130 8.4369 120.3952 57.6607 30.1782 176.8410 690 T 3.7366 8.6656 113.5098 62.2407 68.5329 172.6588 691 G 3.7399 6.9874 109.4106 43.3570 0.0000 170.9140 692 P 4.2414 0.0000 0.0000 63.1360 31.3819 177.0607 693 K 4.5993 8.1348 120.5931 53.9252 32.8221 176.7918 694 H 4.2209 8.5810 115.7234 58.0557 30.0687 174.7062 695 I 4.1810 7.9349 127.9407 59.2564 37.8732 174.1048 696 P 4.4538 0.0000 0.0000 62.0421 32.3642 176.7957 697 L 3.8698 8.7490 121.4619 58.9084 41.7441 179.2517 698 Q 4.0020 8.1396 117.0071 59.5980 28.6216 179.3147 699 T 3.6423 7.8438 116.4084 66.2196 68.6131 176.9868 700 L 4.1080 7.6772 120.4288 57.8718 41.7009 179.3850 701 L 4.0381 8.3348 119.2694 57.6277 41.5276 179.4180 702 K 3.9081 7.8942 119.5443 59.4989 32.1018 178.6241 703 F 4.5846 7.9474 117.9712 61.1528 38.8946 177.6129 704 M 4.2572 8.0966 117.7021 58.3826 31.8015 178.8831 705 V 3.6576 8.3403 118.7653 66.2415 31.7458 177.4300 706 D 4.4631 8.5976 118.9640 57.7953 40.7433 179.3894 707 I 3.7890 7.9941 119.5041 64.2489 37.2485 178.0028 708 A 3.5144 8.6913 122.0115 55.2700 18.1776 179.5596 709 L 3.9794 8.5272 117.5236 58.0019 41.8367 180.0720 710 G 3.5082 8.0727 105.4230 48.1529 0.0000 175.6804 711 M 3.6282 8.1647 121.5452 57.5586 31.6138 178.4531 712 E 3.8594 8.3660 119.9601 59.2548 29.3797 178.0625 713 Y 3.7928 7.7742 119.4813 60.8596 38.8113 178.3884 714 L 3.7576 7.5006 119.1833 57.4661 41.6302 179.5038 715 S 4.1024 8.0925 113.3341 61.4795 62.2333 175.8755 716 N 4.6193 8.0713 117.6451 55.2408 38.2025 175.8801 717 R 4.4285 6.7554 117.7816 55.0500 30.5736 175.3965 718 N 4.1660 8.3228 113.9710 54.0581 36.7253 173.6859 719 F 4.5333 8.0514 120.3477 56.4453 39.9909 175.3661 720 L 4.4568 7.8828 128.5517 54.9190 42.3614 176.5272 721 H 4.4660 9.8724 124.0166 59.0962 30.1253 177.4685 722 R 3.4705 9.9720 115.3275 56.3783 28.2939 176.9251 723 D 4.6213 7.5788 117.4055 52.4205 41.5763 174.9099 724 L 4.0121 8.1547 119.7775 54.5093 43.0413 175.2096 725 A 4.6974 8.2163 125.1210 52.0759 21.7984 176.8639 726 A 4.0970 9.0607 123.1777 54.9530 18.5766 180.4945 727 R 4.2471 7.8824 111.1556 58.5120 30.0270 176.8208 728 N 4.8227 8.2584 115.5157 53.1727 40.1033 173.7330 729 C 5.1392 7.7916 118.1246 58.4576 30.5254 172.5681 730 M 4.8148 9.3842 123.8741 53.6064 34.5866 174.9561 731 L 4.7521 8.2406 122.4649 53.3706 42.9158 177.3407 732 R 4.2654 8.9752 123.8388 55.5414 30.8639 177.4765 733 D 4.5643 8.6888 119.2912 57.3804 40.7858 177.5041 734 D 4.6266 8.1281 115.7320 53.2420 39.8863 176.6411 735 M 3.2136 8.4939 119.0429 56.1096 30.1080 176.5370 736 T 4.4284 8.1504 110.3024 61.5596 70.2435 173.9279 737 V 4.6342 9.6692 125.3195 62.3533 33.3529 174.3585 738 C 5.0671 9.1051 121.8717 56.0646 32.9732 173.4981 739 V 4.1832 8.8359 122.5309 63.3292 32.3608 174.6676 740 A 4.8124 8.6456 127.8247 50.5908 23.4799 175.5261 741 D 4.4715 8.2164 114.5817 55.3541 38.2154 174.3695 742 F 4.7556 6.5264 113.4473 56.8763 39.2376 176.2844 743 G 4.1592 8.9746 110.2005 44.3212 0.0000 173.4843 744 L 3.0755 7.6079 118.2809 55.5558 42.7220 172.3264 *763 P 4.3690 0.0000 0.0000 61.9300 32.0960 176.8488 764 V 3.6313 8.0163 123.9551 67.0102 31.8233 177.6119 765 K 4.2532 8.3402 115.0201 57.5209 31.8898 177.2359 766 W 4.7698 8.6587 118.1165 56.6344 30.3252 176.1255 767 I 4.1592 7.8684 120.3783 60.0976 37.3298 176.4243 768 A 2.0000 8.0739 127.1826 50.7962 20.0101 177.9751 769 I 3.4460 6.5028 116.5122 64.3300 37.5312 178.4965 770 E 3.9772 7.8329 119.0661 58.9838 29.4599 179.0969 771 S 4.3789 7.6758 116.9697 60.7007 62.7825 176.3223 772 L 3.9577 7.9868 121.1776 57.2987 41.3574 178.7151 773 A 4.0474 7.6023 119.4588 53.2688 19.5208 177.4999 774 D 4.6088 7.8000 115.6703 53.6315 42.6569 178.0230 775 R 4.0566 8.2543 115.9387 56.3028 28.3932 181.8022 776 V 3.8077 7.4154 118.1377 63.9602 31.9943 174.1735 777 Y 4.3692 8.5420 127.3404 55.8987 41.3094 174.0532 778 T 4.8452 7.8592 117.1799 59.2780 72.0134 174.3819 779 S 4.3107 8.5508 114.8621 61.7765 63.0187 176.2617 780 K 3.9274 7.8534 122.0430 59.0124 31.8067 179.5132 781 S 4.0257 7.4888 115.8279 61.4892 62.5199 176.2943 782 D 4.7683 7.9555 121.2263 57.3720 40.6161 178.6692 783 V 3.3317 8.1612 119.1185 65.5862 31.5211 177.6839 784 W 4.4946 8.5448 128.7783 60.1523 30.5855 177.6957 785 A 4.5950 8.6171 120.3080 55.4368 17.8191 179.3382 786 F 4.5474 9.0329 119.4564 61.6174 39.5908 177.6707 787 G 3.4256 8.2460 105.1399 47.5360 0.0000 175.9123 788 V 3.7228 8.1753 120.1577 66.2269 31.4373 178.2874 789 T 4.3575 8.3813 115.5690 67.0575 68.2590 176.2554 790 M 3.9229 8.3546 120.9252 58.3093 31.9140 178.7796 791 W 4.0808 8.2757 127.9576 60.5849 30.9775 177.6024 792 E 4.1812 9.1090 119.0963 59.9011 28.9606 179.7808 793 I 3.7264 7.9576 119.1008 64.4520 37.0708 178.3308 794 A 3.9902 8.1069 120.8097 54.9089 18.2512 178.7891 795 T 3.8993 7.4633 105.3098 60.6758 69.6634 174.7662 796 R 3.6484 9.0049 119.6733 57.8792 28.0891 176.8797 797 G 4.0124 8.7390 103.2483 45.4925 0.0000 174.1649 798 M 4.2772 7.3868 119.3584 54.9499 32.4406 176.6676 799 T 4.1247 8.6133 119.8596 63.1026 69.1163 172.6933 800 P 3.0869 0.0000 0.0000 63.3665 32.4552 175.5759 801 Y 3.4194 6.8785 115.2442 58.1690 34.8554 168.8344 802 P 4.4303 0.0000 0.0000 63.8862 32.4138 178.1487 803 G 3.8872 8.8473 108.5528 45.3179 0.0000 173.2613 804 V 4.1392 7.0247 119.0223 60.9156 33.0546 175.4383 805 Q 4.3158 9.1954 126.4786 55.0039 29.7617 176.7088 806 N 4.2882 8.7631 117.7791 56.8227 38.6636 176.9461 807 H 4.4725 8.0481 111.0396 57.1171 29.2936 176.1730 808 E 4.2505 7.7499 119.6735 57.5749 29.5513 177.9011 809 M 3.8586 7.5649 119.9371 58.4653 31.9794 177.9237 810 Y 4.0541 7.9115 118.9256 60.9964 39.1388 177.6997 811 D 4.2711 8.1315 119.2503 57.0957 40.4615 177.9167 812 Y 4.0564 8.1310 120.3764 60.8035 38.9167 178.2116 813 L 4.1876 8.0567 119.7017 57.3146 41.5313 179.1251 814 L 3.8178 7.5185 119.8677 57.9839 42.0554 177.8575 815 H 4.3527 7.9117 113.6213 56.1403 28.8599 176.1833 816 G 3.9200 7.6385 109.7312 45.1642 0.0000 174.0004 817 H 4.2671 6.9347 116.0294 55.7364 29.0542 174.6751 818 R 4.7008 8.0804 120.2930 53.8132 34.2831 174.9125 819 L 3.4766 7.4072 118.6189 55.0562 41.6974 177.9539 820 K 4.3239 8.4533 122.4941 55.6400 32.8944 176.7115 821 Q 3.4982 8.0377 123.0305 55.4201 29.1360 174.8090 822 P 4.2392 0.0000 0.0000 62.0408 31.5043 175.2080 823 E 3.7042 8.0154 117.2664 59.9570 29.6386 176.2674 824 D 4.7685 7.7575 119.3892 54.5760 42.2003 176.1531 825 C 4.3924 7.4015 119.5955 57.9304 32.6828 173.5607 826 L 3.9541 8.5868 126.2341 55.5953 42.5188 177.7472 827 D 4.4937 8.9341 123.3489 57.9059 40.7069 179.0729 828 E 3.9532 8.1777 118.2124 59.4348 29.5019 179.0927 829 L 4.0934 7.7895 119.8662 58.1569 42.2877 178.1710 830 Y 4.2197 8.2716 119.6812 60.6439 38.7345 177.5141 831 E 3.8654 8.5066 119.8680 59.4192 29.2988 179.5551 832 I 3.5540 7.0610 117.2671 64.5448 37.5368 177.8554 833 M 3.6024 7.5707 119.4078 58.4495 31.7640 178.1415 834 Y 3.2304 7.4830 119.7189 60.4777 38.6757 178.3219 835 S 4.1295 7.4194 113.5261 61.5767 62.8703 175.9833 836 C 4.0989 7.2292 119.7869 61.0368 27.4381 174.8059 837 W 4.1052 6.8539 119.0389 55.8022 28.9196 176.1640 838 R 3.9331 7.7060 117.4872 56.9119 30.0694 176.8578 839 T 4.0333 8.6465 119.1865 66.7636 68.8123 174.4723 840 D 4.4897 7.9974 122.3481 53.1481 41.8507 174.5836 841 P 4.2654 0.0000 0.0000 65.8529 31.4946 178.5486 842 L 4.1086 8.2243 116.8021 57.1957 41.6110 177.9637 843 D 4.5286 7.9812 117.8432 55.9924 41.2338 177.3801 844 R 4.1563 7.5661 118.4876 55.1384 30.5285 174.9134 845 P 4.3976 0.0000 0.0000 62.2979 32.3986 176.7629 846 T 3.9634 8.0106 110.2031 61.4697 70.7667 175.3817 847 F 4.0848 8.4474 120.5302 60.7251 38.4085 178.0932 848 S 4.2528 8.0711 113.5078 61.1160 62.8148 176.7493 849 V 3.5669 7.5532 122.0371 65.9096 31.3454 177.7533 850 L 3.9750 7.8078 118.7498 58.0779 41.3997 179.7300 851 R 3.9171 8.3409 118.7089 59.2820 29.9767 178.3661 852 L 3.9615 7.6403 119.0346 58.1369 42.0339 178.7811 853 Q 4.0099 8.2367 118.0932 59.1337 28.6085 179.0931 854 L 4.0298 8.1916 119.9025 57.7094 41.6610 179.2775 855 E 3.9628 8.5135 118.9329 59.5200 29.3358 179.4999 856 K 3.9769 8.4566 119.9129 59.1352 31.9907 178.6145 857 L 3.9338 7.9565 120.2042 57.9870 42.2384 178.2754 858 L 4.0929 8.1411 120.4584 58.4721 41.8269 178.9519 859 E 4.0585 8.1413 116.7427 59.2526 29.3614 179.2197 860 S 4.2763 7.6537 114.9906 61.2408 62.9240 174.2167 861 L 4.1734 7.5731 125.0880 54.9708 41.3724 176.6349 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 575 N 8.42 4.79 0.00 2.76 2.80 0.00 0.00 6.74 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 576 K 7.93 3.95 0.00 1.98 1.87 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.53 1.07 7.81 *577 L 7.90 4.72 0.00 1.66 1.51 0.92 0.68 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 0.00 578 E 7.65 4.79 0.00 1.82 1.87 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 2.20 1.84 0.00 579 D 7.71 4.54 0.00 2.72 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 580 V 7.60 3.75 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 0.68 0.00 0.00 0.86 0.00 0.00 581 V 7.18 4.27 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 0.81 0.00 0.00 0.93 0.00 0.00 582 I 8.81 4.51 1.87 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 1.10 0.75 0.91 0.00 0.00 583 D 8.81 4.23 0.00 2.80 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 0.00 584 R 9.08 3.85 0.00 1.93 1.94 0.00 3.27 0.00 0.00 3.39 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 585 N 8.21 4.63 0.00 2.87 2.90 0.00 0.00 5.99 7.79 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 0.00 586 L 8.06 4.42 0.00 1.84 1.72 0.92 0.27 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 0.00 587 L 7.67 5.30 0.00 1.61 1.69 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 588 I 8.52 4.61 1.85 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 1.21 0.97 0.90 0.00 0.00 589 L 8.70 4.76 0.00 1.52 1.58 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 590 G 8.83 4.20 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 0.00 591 K 8.89 4.41 0.00 1.82 1.75 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.79 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.53 1.04 7.81 592 I 8.20 4.37 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 1.42 0.47 0.98 0.00 0.00 593 L 9.10 4.31 0.00 1.73 1.78 1.15 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 594 G 7.53 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 0.00 0.00 0.00 0.00 595 E 7.77 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4.12 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 1.28 0.00 0.00 800 P 0.00 3.09 0.00 1.42 0.80 0.00 3.52 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.63 0.00 801 Y 6.88 3.42 0.00 2.82 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 802 P 0.00 4.43 0.00 2.21 2.12 0.00 3.77 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 803 G 8.85 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 804 V 7.02 4.14 1.78 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 0.25 0.00 0.00 -0.00 0.00 0.00 805 Q 9.20 4.32 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.54 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 806 N 8.76 4.29 0.00 2.77 2.90 0.00 0.00 6.63 8.16 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 0.00 807 H 8.05 4.47 0.00 3.23 3.43 0.00 5.71 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 808 E 7.75 4.25 0.00 1.96 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 2.11 1.88 0.00 809 M 7.56 3.86 0.00 1.83 2.19 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.73 0.00 810 Y 7.91 4.05 0.00 2.94 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 811 D 8.13 4.27 0.00 2.77 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 0.00 812 Y 8.13 4.06 0.00 3.04 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 813 L 8.06 4.19 0.00 1.76 1.70 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 814 L 7.52 3.82 0.00 1.33 1.58 0.43 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 815 H 7.91 4.35 0.00 3.17 3.24 0.00 5.87 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 816 G 7.64 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 0.00 817 H 6.93 4.27 0.00 1.93 2.50 0.00 5.60 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 818 R 8.08 4.70 0.00 2.02 1.72 0.00 3.08 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.40 0.00 819 L 7.41 3.48 0.00 0.52 0.69 -0.45 -1.52 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 0.00 820 K 8.45 4.32 0.00 1.88 1.78 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.53 7.81 821 Q 8.04 3.50 0.00 0.93 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.02 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 822 P 0.00 4.24 0.00 2.05 1.65 0.00 3.65 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 1.86 1.49 0.00 823 E 8.02 3.70 0.00 1.85 1.78 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 2.27 2.39 0.00 824 D 7.76 4.77 0.00 2.67 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 0.00 825 C 7.40 4.39 0.00 2.86 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 0.00 826 L 8.59 3.95 0.00 1.74 1.77 0.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 827 D 8.93 4.49 0.00 2.77 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 0.00 828 E 8.18 3.95 0.00 2.06 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 2.41 2.44 0.00 829 L 7.79 4.09 0.00 1.78 1.86 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 830 Y 8.27 4.22 0.00 3.12 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 0.00 831 E 8.51 3.87 0.00 2.19 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 2.50 0.00 832 I 7.06 3.55 1.98 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 0.59 0.92 0.00 0.00 833 M 7.57 3.60 0.00 1.57 2.02 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.52 0.00 834 Y 7.48 3.23 0.00 2.24 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 0.00 835 S 7.42 4.13 0.00 3.96 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 0.00 836 C 7.23 4.10 0.00 2.14 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 0.00 837 W 6.85 4.11 0.00 2.66 1.74 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 0.00 838 R 7.71 3.93 0.00 1.76 1.87 0.00 3.33 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.51 0.00 839 T 8.65 4.03 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 1.22 0.00 0.00 840 D 8.00 4.49 0.00 2.68 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 0.00 841 P 0.00 4.27 0.00 2.19 2.08 0.00 3.65 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.43 0.00 842 L 8.22 4.11 0.00 1.68 1.72 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 843 D 7.98 4.53 0.00 2.81 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 0.00 844 R 7.57 4.16 0.00 1.97 1.77 0.00 3.29 0.00 0.00 3.61 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.57 0.00 845 P 0.00 4.40 0.00 2.08 1.97 0.00 3.70 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 1.84 1.84 0.00 846 T 8.01 3.96 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 1.17 0.00 0.00 847 F 8.45 4.08 0.00 3.03 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 0.00 848 S 8.07 4.25 0.00 4.12 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 849 V 7.55 3.57 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 0.99 0.00 0.00 0.91 0.00 0.00 850 L 7.81 3.97 0.00 1.88 1.81 0.65 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 851 R 8.34 3.92 0.00 1.94 1.95 0.00 3.28 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 852 L 7.64 3.96 0.00 1.85 1.79 0.93 0.79 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 0.00 853 Q 8.24 4.01 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 854 L 8.19 4.03 0.00 1.91 1.80 1.27 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 855 E 8.51 3.96 0.00 2.16 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 0.00 2.36 2.56 0.00 856 K 8.46 3.98 0.00 1.89 1.81 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 857 L 7.96 3.93 0.00 1.77 1.84 0.93 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 858 L 8.14 4.09 0.00 1.86 1.91 0.96 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 859 E 8.14 4.06 0.00 1.99 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 2.61 2.50 0.00 860 S 7.65 4.28 0.00 4.01 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 0.00 861 L 7.57 4.17 0.00 1.71 1.57 0.91 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.