NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 671 P 4.4534 0.0000 0.0000 62.2907 32.6607 176.5672 672 I 3.5028 7.7500 124.8374 64.3559 37.5922 177.1794 673 F 4.0396 8.9701 122.2031 61.3895 39.7264 176.7020 674 L 3.9632 8.0573 118.1325 57.6861 41.3801 178.8263 675 N 4.2608 8.4465 116.8724 56.4610 38.5657 177.4730 676 V 3.4999 7.6187 119.1040 66.0421 31.4385 177.9558 677 L 3.9474 7.3088 117.1457 57.7722 41.3369 179.0637 678 E 4.1292 8.4244 118.4137 59.5575 29.2508 179.3516 679 A 4.0574 8.0626 119.6581 54.5711 18.5458 178.7467 680 I 4.2589 7.5653 108.6248 59.9949 38.4250 175.7459 681 E 4.0809 7.4268 122.7350 55.6155 29.8753 174.7835 682 P 4.3945 0.0000 0.0000 62.7629 32.1954 177.2195 683 G 3.9423 8.1250 109.7511 44.6172 0.0000 173.0349 684 V 3.6892 8.2405 119.4089 62.7356 32.0604 176.3124 685 V 4.3679 8.2290 125.9813 61.2190 33.6990 174.4790 686 C 4.6744 8.5319 124.1285 58.5841 29.6161 173.5725 687 A 4.1421 9.2070 125.4286 52.7866 18.7309 179.0101 688 G 3.8613 8.7273 103.7211 46.1200 0.0000 172.9958 689 H 4.1979 8.1750 118.8292 55.4036 30.3566 174.6313 690 D 4.5015 8.1794 126.2411 53.5003 40.1962 176.1960 691 N 4.6794 8.4827 124.2915 54.9626 39.0263 176.5259 692 N 4.5040 8.3518 115.0762 54.8745 38.9092 175.1169 693 Q 4.5504 7.2356 116.2621 53.1697 30.3394 173.9035 694 P 4.4286 0.0000 0.0000 62.7758 31.8463 175.9927 695 D 4.6152 8.5175 120.1666 54.6779 41.6720 176.5674 696 S 4.7233 8.2238 116.1033 55.6835 67.3363 174.7592 697 F 4.2510 9.0526 125.3018 61.8705 39.0655 177.5316 698 A 3.7149 8.0506 119.3175 55.0129 18.2773 179.3580 699 A 3.9294 8.0220 119.3414 55.0879 18.3974 179.9192 700 L 3.8649 7.9599 117.5186 58.0095 41.6663 179.8324 701 L 3.8132 7.6933 118.8641 57.6716 41.4951 179.5802 702 S 3.9009 7.8811 115.1160 61.7595 62.6749 177.0639 703 S 4.1104 8.0401 117.6958 61.4415 62.4746 176.7090 704 L 3.7530 7.9799 121.9024 57.7377 41.2960 179.2724 705 N 4.1639 8.2252 116.7645 56.2738 38.4145 177.1089 706 E 3.8621 8.0913 120.6598 59.0434 29.6681 178.4663 707 L 4.0238 8.1658 120.7774 58.0842 42.0302 179.1544 708 G 3.6208 8.2606 105.7906 47.7793 0.0000 175.1651 709 E 3.8127 8.0488 121.8840 59.0418 29.4210 179.1904 710 R 3.9251 8.0831 118.0308 59.4861 30.1583 179.1752 711 Q 4.0612 8.5479 118.2541 58.6182 28.5881 178.4194 712 L 3.9639 8.1394 121.8795 57.9800 42.0821 179.0437 713 V 3.5493 7.5448 118.0296 66.5912 31.4455 177.8421 714 H 4.2527 7.9754 115.6259 58.7295 28.4492 178.0195 715 V 3.7574 8.4036 120.7199 65.8515 31.3598 178.2607 716 V 3.5841 8.0723 118.1493 66.0394 31.1951 178.1945 717 K 3.9982 7.6908 116.3872 59.0469 32.1532 178.8989 718 W 4.2583 8.4666 128.3808 60.4462 30.7125 177.7460 719 A 2.7934 8.3225 121.0040 54.8688 17.4731 179.6038 720 K 3.9049 7.5260 115.2239 59.1860 32.1883 178.3121 721 A 4.3634 7.3063 118.0944 51.1489 19.7658 177.3083 722 L 3.9389 7.0599 119.1759 53.2473 42.3569 174.9677 723 P 4.3891 0.0000 0.0000 64.4967 31.7355 177.0699 724 G 4.0041 9.0814 110.8565 45.5140 0.0000 174.9540 725 F 4.1564 8.2964 122.5193 61.3918 39.4317 177.0741 726 R 4.2355 7.9592 116.8297 57.9073 30.0704 176.7568 727 N 4.3420 7.6430 115.3214 54.6089 39.2310 175.2261 728 L 4.1984 7.2056 117.7632 54.7880 42.4248 176.9334 729 H 4.1418 8.8919 121.1286 56.5578 31.5131 176.6561 730 V 3.7226 8.2552 127.2352 65.3774 31.1038 178.4107 731 D 4.4430 8.3969 118.7975 57.1219 40.6218 178.2483 732 D 4.4401 8.0166 119.1675 57.0728 41.0820 178.4562 733 Q 3.9150 8.2118 118.7816 59.2692 28.7267 178.8195 734 M 4.0810 8.1178 119.2644 58.3489 32.0465 178.7008 735 A 3.6946 7.9197 120.6157 55.3265 18.6342 180.1368 736 V 3.7951 8.2447 111.2863 64.5814 31.0781 179.0050 737 I 3.8457 7.8277 119.1733 64.6749 36.8069 178.6041 738 Q 4.2501 8.0523 117.4814 58.7550 28.4984 177.6789 739 Y 4.7187 7.8156 116.9586 59.5409 38.7471 177.0979 740 S 4.5666 8.2468 113.8953 58.5135 63.6936 176.1054 741 W 4.3364 7.8548 120.8345 60.0338 27.6284 177.6853 742 M 3.7544 6.6706 118.5983 58.0759 31.5567 178.1327 743 G 3.5918 7.7922 105.0929 47.8126 0.0000 175.1248 744 L 4.0235 7.9540 121.7642 58.0183 41.6927 179.7745 745 M 4.2010 8.4624 118.6446 58.1764 31.8162 179.0565 746 V 3.6468 8.1809 118.7759 65.8954 31.7687 177.8345 747 F 4.3344 8.5863 120.2364 61.4866 39.2166 176.9407 748 A 4.3316 8.4034 120.4134 55.4667 18.0842 179.3034 749 M 4.0315 8.4587 116.9822 58.5832 32.3013 178.5376 750 G 3.7539 8.4601 106.3528 47.5757 0.0000 175.4194 751 W 3.1025 7.9160 130.5649 59.9517 30.5105 178.0204 752 R 3.4489 7.9000 118.1903 59.5067 29.4146 179.2107 753 S 3.9686 8.0745 114.7897 61.3054 62.6394 176.5616 754 F 4.1747 8.1055 124.8472 61.0232 38.9489 177.3802 755 T 2.8581 6.9618 108.0721 63.8687 68.6045 175.7470 756 N 4.3347 7.5087 118.1449 54.2381 39.1344 176.2965 757 V 4.2816 6.7549 111.1844 60.4927 33.6041 174.8142 758 N 4.0843 8.8257 114.8049 53.7286 37.1402 174.4913 759 S 3.7496 8.4364 112.1149 59.7363 61.5688 175.1562 760 R 4.0590 8.0567 121.0519 58.8313 29.2199 180.4976 761 M 4.8734 7.4951 114.5562 53.5120 36.3541 174.5610 762 L 4.1722 8.4073 120.1981 53.8510 41.4081 176.4346 763 Y 4.3400 8.4425 129.1557 55.9645 37.2167 175.7716 764 F 4.0452 7.9320 121.8729 59.8816 39.8161 175.4088 765 A 4.5833 7.6440 120.3286 50.3255 22.2332 175.1104 766 P 3.8764 0.0000 0.0000 64.4719 31.3954 177.4428 767 D 4.8169 7.8425 114.8091 52.8635 39.9451 177.0537 768 L 4.6628 7.8137 123.1867 54.1641 43.3711 172.3651 769 V 4.7509 7.8885 120.4311 60.6405 33.6951 174.4235 770 F 4.8281 9.6134 128.4992 56.8395 40.3217 175.7859 771 N 4.9237 8.6525 122.0411 51.6562 39.7215 175.8632 772 E 4.1156 8.9054 117.3452 59.6412 29.3465 178.9330 773 Y 4.1465 8.1318 119.2601 60.8659 38.9221 178.1771 774 R 3.5884 8.6724 119.3158 59.2496 29.7749 178.7614 775 M 4.2431 7.9947 117.7640 58.7787 32.2553 178.1552 776 H 4.4326 8.5126 118.1044 59.4193 29.9649 177.6173 777 K 3.9421 7.9953 119.3529 59.1026 31.8673 178.9804 778 S 4.5205 8.2040 113.1903 58.9714 63.0527 174.7822 779 R 4.0003 7.8124 120.0055 57.5250 28.1490 176.0813 780 M 4.9565 7.6302 115.9187 53.9202 33.0763 177.7645 781 Y 4.0235 8.4707 121.0962 61.0197 39.0510 177.3996 782 S 4.2386 8.2618 114.5769 61.6439 62.9978 176.2501 783 Q 3.9815 8.0059 121.1559 58.9204 28.4661 178.3115 784 C 4.0970 8.4601 118.1493 62.5941 28.0444 176.2363 785 V 3.4576 7.7938 120.0755 66.2135 31.0409 178.3722 786 R 3.9419 7.7905 117.0937 59.5794 29.9129 179.0444 787 M 4.0417 8.1840 118.5575 58.3307 31.9104 178.8289 788 R 3.8577 8.3684 119.3718 59.2621 30.1778 178.0569 789 H 4.1910 8.3456 119.7397 58.4813 29.6762 176.7084 790 L 3.7839 7.8059 120.9935 58.3626 42.0145 178.4955 791 S 4.5231 7.9841 112.6810 61.7993 62.3233 176.2358 792 Q 3.4125 7.7708 120.4320 58.6010 28.1530 178.5647 793 E 4.0197 7.3827 119.6313 59.3781 29.4264 179.3219 794 F 4.2509 7.3696 118.0294 60.1683 38.7958 178.0612 795 G 3.3258 7.0388 104.7342 47.5940 0.0000 175.7445 796 W 4.4948 7.8743 121.1514 59.2002 29.1282 177.4188 797 L 4.3201 8.5657 115.7458 54.4794 41.7029 176.3308 798 Q 3.5289 7.8749 116.9985 56.7294 26.7010 174.5021 799 I 4.1661 7.8179 118.1803 61.6425 38.0427 177.6059 800 T 4.5316 9.0571 116.3629 60.6759 71.1575 174.0333 801 P 4.1663 0.0000 0.0000 66.1260 31.3947 179.0485 802 Q 4.0740 8.0913 116.3101 58.8143 28.7082 178.1805 803 E 4.0295 8.4359 119.7734 59.2666 29.4243 179.0222 804 F 4.1225 8.3214 120.9664 61.3179 39.2440 177.1537 805 L 3.5672 7.6664 118.3305 57.9408 41.4455 179.4291 806 C 4.3837 8.0602 116.4942 63.0836 28.0854 176.0286 807 M 4.0394 8.2884 120.4843 58.2444 31.3360 178.7172 808 K 3.6597 7.8636 118.4720 59.3029 32.6707 178.2679 809 A 4.4492 8.0843 121.0650 55.3775 18.3804 179.3700 810 L 4.1484 8.2628 118.6849 58.3217 41.8920 179.1425 811 L 3.9462 7.5709 118.1886 57.3582 41.5041 178.8583 812 L 4.0433 7.6202 119.5469 56.7257 41.9805 177.1185 813 F 5.3816 7.7250 117.3099 57.8415 39.6803 175.8824 814 S 4.8464 8.1741 113.2860 57.9708 65.0863 173.6384 815 I 4.9002 7.7494 120.7123 60.0086 40.4137 173.7091 816 I 4.7190 8.3385 121.8291 58.3175 41.7148 172.8885 817 P 4.5049 0.0000 0.0000 62.5747 31.6908 178.0894 818 V 3.4816 8.6268 122.7050 66.0332 31.5277 176.4873 819 D 4.5155 8.0208 117.1978 53.8571 40.5518 176.8917 820 G 3.8839 7.8309 107.2852 45.1533 0.0000 173.4201 821 L 4.4442 8.6055 120.0118 52.9408 43.3690 177.7251 822 K 4.0421 9.0596 118.9828 59.4238 31.8693 177.9541 823 N 4.8219 8.5175 119.1348 50.5534 38.6690 173.8723 824 Q 4.0140 8.2411 123.3211 58.7622 29.4131 177.5567 825 K 3.9621 7.9716 118.8553 59.6241 32.1217 179.1696 826 F 4.6460 8.1609 117.5426 60.4042 38.7059 177.5771 827 F 3.9624 8.1630 120.2474 61.4172 39.2476 176.8133 828 D 4.4147 8.7056 118.9517 57.4608 40.6188 178.5638 829 E 3.8960 8.2093 119.7045 59.0443 29.6800 178.6395 830 L 3.7714 7.6411 120.3485 58.0009 42.1209 178.8173 831 R 3.5399 7.4710 118.9227 59.4841 29.9761 177.8043 832 M 3.9849 7.9496 117.9261 59.1248 32.1643 178.0569 833 N 4.2832 8.1364 116.2767 56.4136 38.6606 177.1432 834 Y 3.7530 8.2479 118.2654 60.7496 37.8708 178.5171 835 I 3.8956 8.0844 120.9844 64.3992 37.2716 178.4666 836 K 3.8656 8.0632 119.2778 59.6312 31.9081 179.2651 837 E 3.6947 8.0085 118.7271 58.9347 29.0777 179.1302 838 L 3.9991 7.8948 120.4811 58.2902 42.1922 178.4910 839 D 4.3749 8.3168 118.0375 57.3911 40.8554 178.2094 840 R 3.8560 7.8805 118.2978 59.5229 30.1907 178.3813 841 I 3.9422 7.6112 118.0765 63.7242 37.1095 178.0238 842 I 4.1492 7.3762 119.9685 62.3856 37.2950 176.0595 843 A 4.2220 7.5384 123.3054 51.3129 18.8241 177.6764 *846 R 4.1433 8.2314 122.3395 56.6075 30.2401 175.1760 847 K 4.2915 8.1759 116.5603 56.1622 33.5291 176.6947 848 N 4.8318 7.7411 119.1054 51.3984 40.1341 172.8092 849 P 4.2619 0.0000 0.0000 66.3645 31.4052 178.6135 850 T 3.9084 8.1199 113.9768 66.4216 68.2861 176.7063 851 S 4.1521 8.1123 116.3822 61.8154 63.1421 176.4560 852 C 4.2545 8.0415 120.2453 62.2003 27.8693 176.2111 853 S 4.2488 8.4469 119.4094 62.3696 62.4741 177.4012 854 R 4.0133 8.0586 123.2999 61.4386 28.9913 180.6706 855 R 4.2805 8.1083 119.4379 59.3974 30.1888 178.3706 856 F 4.0749 8.6001 120.7887 61.3442 39.3558 176.1855 857 Y 4.0211 8.3733 119.1800 60.9366 38.5186 178.3597 858 Q 3.9719 8.2916 118.7235 59.1026 28.7969 178.8969 859 L 3.9424 8.0568 120.4082 57.7919 41.5209 179.7057 860 T 3.2250 7.4156 109.8732 64.3186 68.5471 176.7958 861 K 3.7593 7.7046 121.3436 59.0055 31.8104 178.9774 862 L 3.8946 7.7081 119.3278 58.0656 42.4504 178.4989 863 L 4.0223 7.9922 119.0794 58.1798 41.6778 179.1383 864 D 4.5797 8.4196 118.9427 57.7076 39.7337 179.2594 865 S 4.3030 8.1053 114.1668 60.9926 62.8505 176.6846 866 V 3.9360 7.7392 122.0949 65.8954 31.1083 177.9876 867 Q 3.9173 8.0598 117.7919 58.6194 28.6227 176.9600 868 P 4.3268 0.0000 0.0000 65.3989 31.3274 178.8173 869 I 3.6677 7.3587 118.8775 64.4026 37.1180 178.1334 870 A 3.8591 8.1971 121.8462 55.1906 18.1438 179.6764 871 R 3.9140 8.3338 117.4026 59.6838 30.2243 178.5736 872 E 4.0801 8.2651 118.3982 59.5001 29.3413 179.4405 873 L 4.1455 8.0666 119.0646 57.9000 41.6816 178.9870 874 H 4.2874 8.6177 116.6989 59.1160 28.6205 177.5423 875 Q 4.1044 8.3262 121.0714 59.1871 28.9345 177.9729 876 F 4.1093 8.5042 121.7138 61.7229 39.4157 177.0483 877 T 4.2302 8.7491 113.1566 64.9177 67.0990 176.1065 878 F 4.1603 8.5452 122.7301 61.5128 39.6328 176.6456 879 D 4.1387 8.4629 118.6417 57.4557 40.4087 178.8369 880 L 3.9681 7.7265 119.5270 57.8049 42.3534 178.4952 881 L 3.3389 8.0663 120.6872 58.0209 41.7643 178.7912 882 I 3.5065 7.1823 118.7196 63.5522 37.1678 177.5237 883 K 4.5413 7.5651 116.8192 56.7397 32.8414 178.0564 884 S 4.2514 7.9656 118.4510 62.3365 62.5102 176.0727 885 H 4.2392 8.4627 116.6371 58.5363 28.2437 176.1681 886 M 4.1868 7.9271 118.1449 56.7208 31.9839 177.1296 887 V 4.4139 7.2799 109.3948 60.1726 33.0342 175.4288 888 S 3.7286 8.0872 114.1953 59.6830 60.0321 171.9397 889 V 4.1546 7.8594 119.0128 61.1489 32.7094 174.2711 890 D 4.7472 8.2821 127.6567 53.2985 41.7448 175.8631 891 F 4.5751 8.6079 122.1164 54.8206 40.9736 174.3542 892 P 4.5252 0.0000 0.0000 61.9101 33.3978 176.4783 893 E 3.9055 8.7248 118.3181 60.3914 29.2385 178.6775 894 M 4.0458 8.4137 118.0008 58.5421 32.0160 178.7569 895 M 3.8618 8.2369 118.6115 58.3689 32.1094 178.6855 896 A 3.9084 8.2107 120.8660 55.0342 18.6032 179.3610 897 E 3.8570 8.0757 117.3822 59.5060 29.7673 179.0645 898 I 3.7706 7.9786 120.0914 64.6321 36.9947 178.5847 899 I 4.0567 8.1226 119.6849 63.6780 36.9893 177.8257 900 S 4.6007 7.8616 113.6175 59.3059 63.4636 175.4335 901 V 4.2017 7.5911 119.8720 64.4935 32.9102 177.1059 902 Q 4.4148 8.1966 117.3278 58.6858 29.0515 178.3589 903 V 3.6264 7.9313 118.7187 65.7040 31.5023 176.0868 904 P 3.9859 0.0000 0.0000 65.3269 31.1318 178.6550 905 K 3.9891 7.8510 118.3546 58.6625 31.8706 179.5307 906 I 3.9940 7.2840 121.0573 63.9140 37.0025 178.3342 907 L 4.0064 7.6608 118.4893 57.0973 41.6306 178.7317 908 S 4.4624 8.3028 112.9154 58.0789 63.1889 175.6220 909 G 4.0269 7.7016 110.7891 45.7082 0.0000 174.9102 910 K 4.0235 7.7578 120.1887 58.0103 32.5586 176.7363 911 V 4.5732 7.7408 119.0556 60.7479 34.0713 174.8728 912 K 4.8501 8.5374 126.4842 53.4962 36.1833 174.2433 913 P 4.5516 0.0000 0.0000 63.1330 32.2394 175.5917 914 I 4.2063 8.2937 122.8407 60.3319 37.8185 175.0755 915 Y 4.7147 8.3650 124.9090 56.3617 39.8344 176.2200 916 F 4.1432 9.7215 123.2106 60.4509 39.2514 175.8596 917 H 5.0157 8.4724 115.5702 53.9736 30.8739 174.3847 918 T 4.1413 8.2992 118.5653 63.3960 69.0205 175.1780 919 Q 4.0215 8.3603 124.2436 56.0892 28.8178 175.7037 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 671 P 0.00 4.45 0.00 2.27 2.33 0.00 3.70 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 2.14 2.02 0.00 672 I 7.75 3.50 1.92 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.15 0.94 0.00 0.00 673 F 8.97 4.04 0.00 3.05 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 0.00 674 L 8.06 3.96 0.00 1.79 1.93 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 675 N 8.45 4.26 0.00 2.97 2.88 0.00 0.00 6.65 7.89 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 0.00 676 V 7.62 3.50 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 0.92 0.00 0.00 0.93 0.00 0.00 677 L 7.31 3.95 0.00 1.55 1.69 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 678 E 8.42 4.13 0.00 2.19 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 2.51 0.00 679 A 8.06 4.06 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 0.00 680 I 7.57 4.26 1.94 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.93 0.93 0.00 0.00 681 E 7.43 4.08 0.00 2.18 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 0.00 2.40 2.36 0.00 682 P 0.00 4.39 0.00 1.98 1.93 0.00 3.49 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 1.77 2.09 0.00 683 G 8.12 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 0.00 0.00 0.00 684 V 8.24 3.69 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 0.84 0.00 0.00 0.94 0.00 0.00 685 V 8.23 4.37 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 0.93 0.00 0.00 0.78 0.00 0.00 686 C 8.53 4.67 0.00 3.00 3.07 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 0.00 687 A 9.21 4.14 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 0.00 688 G 8.73 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 689 H 8.18 4.20 0.00 3.08 3.45 0.00 5.92 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 0.00 690 D 8.18 4.50 0.00 2.63 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 691 N 8.48 4.68 0.00 2.76 2.87 0.00 0.00 7.20 8.00 0.00 0.00 0.00 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0.00 0.00 2.40 2.40 0.00 799 I 7.82 4.17 2.36 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.00 1.17 0.00 0.00 800 T 9.06 4.53 4.36 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 1.36 0.00 0.00 801 P 0.00 4.17 0.00 2.30 2.38 0.00 3.75 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.53 0.00 802 Q 8.09 4.07 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 803 E 8.44 4.03 0.00 2.27 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 0.00 2.41 2.40 0.00 804 F 8.32 4.12 0.00 1.79 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 805 L 7.67 3.57 0.00 1.90 1.68 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 806 C 8.06 4.38 0.00 3.11 3.15 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 0.00 807 M 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0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.50 2.76 0.00 859 L 8.06 3.94 0.00 1.46 1.60 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 860 T 7.42 3.22 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 861 K 7.70 3.76 0.00 1.77 1.73 0.00 1.49 0.00 0.00 1.26 0.00 0.00 2.26 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.55 0.91 7.81 862 L 7.71 3.89 0.00 1.65 1.83 0.78 0.76 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 0.00 863 L 7.99 4.02 0.00 1.89 1.75 0.86 1.04 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 0.00 864 D 8.42 4.58 0.00 2.99 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 0.00 865 S 8.11 4.30 0.00 4.11 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 0.00 866 V 7.74 3.94 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 1.16 0.00 0.00 1.12 0.00 0.00 867 Q 8.06 3.92 0.00 2.26 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.19 1.92 0.00 868 P 0.00 4.33 0.00 2.20 2.15 0.00 3.83 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.30 0.00 869 I 7.36 3.67 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.83 0.92 0.00 0.00 870 A 8.20 3.86 1.21 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 0.00 871 R 8.33 3.91 0.00 2.00 2.08 0.00 3.14 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 872 E 8.27 4.08 0.00 2.24 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 0.00 2.38 2.57 0.00 873 L 8.07 4.15 0.00 1.79 1.74 0.92 1.00 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 0.00 874 H 8.62 4.29 0.00 3.35 3.35 0.00 5.64 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 0.00 875 Q 8.33 4.10 0.00 2.27 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.71 0.00 876 F 8.50 4.11 0.00 3.35 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 877 T 8.75 4.23 4.67 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 1.63 0.00 0.00 878 F 8.55 4.16 0.00 3.26 3.32 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 0.00 879 D 8.46 4.14 0.00 2.76 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.73 3.97 0.00 1.57 2.09 1.12 1.03 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 0.00 881 L 8.07 3.34 0.00 1.00 1.41 0.23 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 882 I 7.18 3.51 1.68 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.11 0.76 0.00 0.00 883 K 7.57 4.54 0.00 1.97 1.96 0.00 1.30 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.43 7.81 884 S 7.97 4.25 0.00 4.59 4.58 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 0.00 885 H 8.46 4.24 0.00 3.30 3.46 0.00 5.52 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 886 M 7.93 4.19 0.00 1.96 2.21 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.20 0.00 887 V 7.28 4.41 2.42 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 0.78 0.00 0.00 1.20 0.00 0.00 888 S 8.09 3.73 0.00 4.05 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 0.00 889 V 7.86 4.15 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 0.51 0.00 0.00 0.73 0.00 0.00 890 D 8.28 4.75 0.00 2.67 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 0.00 891 F 8.61 4.58 0.00 2.94 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 0.00 892 P 0.00 4.53 0.00 2.37 1.97 0.00 3.61 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 2.19 2.09 0.00 893 E 8.72 3.91 0.00 2.02 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 0.00 2.37 2.42 0.00 894 M 8.41 4.05 0.00 2.03 2.29 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 2.67 2.54 0.00 895 M 8.24 3.86 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.65 0.00 896 A 8.21 3.91 1.39 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 0.00 897 E 8.08 3.86 0.00 2.08 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 0.00 2.31 2.36 0.00 898 I 7.98 3.77 1.89 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.53 1.22 0.00 0.00 899 I 8.12 4.06 1.99 0.00 0.00 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 2.00 0.82 1.08 0.00 0.00 900 S 7.86 4.60 0.00 4.03 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 0.00 901 V 7.59 4.20 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 0.94 0.00 0.00 0.99 0.00 0.00 902 Q 8.20 4.41 0.00 2.41 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.56 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 903 V 7.93 3.63 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.25 0.00 0.00 904 P 0.00 3.99 0.00 2.16 1.91 0.00 3.79 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.17 0.00 905 K 7.85 3.99 0.00 1.97 1.76 0.00 1.86 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.57 7.81 906 I 7.28 3.99 1.83 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.71 0.79 0.00 0.00 907 L 7.66 4.01 0.00 1.35 1.55 0.58 0.69 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 0.00 908 S 8.30 4.46 0.00 3.97 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 0.00 909 G 7.70 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 0.00 910 K 7.76 4.02 0.00 1.92 1.78 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.37 7.81 911 V 7.74 4.57 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.25 0.00 0.00 912 K 8.54 4.85 0.00 1.65 1.60 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.28 7.81 913 P 0.00 4.55 0.00 1.26 1.93 0.00 3.74 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.89 0.00 914 I 8.29 4.21 1.75 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.55 0.78 0.00 0.00 915 Y 8.37 4.71 0.00 2.94 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 916 F 9.72 4.14 0.00 3.14 2.91 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 0.00 917 H 8.47 5.02 0.00 3.23 3.23 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 918 T 8.30 4.14 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 1.19 0.00 0.00 919 Q 8.36 4.02 0.00 1.71 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.65 0.00 0.00 0.00 0.00 0.00 1.41 1.16 0.00 * Residues marked with a * may have inaccurate shift predictions.