NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 705 G 3.8761 8.3431 109.7397 45.1857 0.0000 173.7749 706 G 3.7000 8.3668 111.7486 43.4248 0.0000 171.0252 707 Y 4.2591 9.2804 121.4666 57.4887 39.9919 173.8708 708 V 3.8738 7.4867 125.2449 60.4425 34.0637 174.9306 709 A 3.9580 7.8944 130.0405 51.0565 18.9933 175.2100 710 P 4.3428 0.0000 0.0000 62.0750 32.0814 176.7288 711 K 3.9446 8.3989 120.1587 57.1011 32.5301 176.0485 712 A 4.7312 8.1540 124.6889 49.5417 22.8728 175.5043 713 V 3.7993 8.1967 119.7369 62.7009 31.4052 175.5698 714 W 4.7352 8.8738 128.5103 57.7799 30.8676 176.2469 715 L 4.4796 7.3084 121.7761 52.4070 44.3131 173.8230 716 P 4.4874 0.0000 0.0000 62.0969 32.4430 177.0964 717 A 4.1368 8.7168 125.2983 55.1387 17.9701 180.3064 718 V 3.9109 7.6658 108.0046 63.3765 31.8154 177.7497 719 K 4.4102 7.9157 116.4889 56.3308 32.8934 176.4086 720 A 4.1650 7.1874 122.6898 52.0179 19.5345 175.6984 721 K 3.9955 9.5025 114.7539 58.8848 30.0437 176.7042 722 G 3.8740 8.6052 107.2827 44.7030 0.0000 173.1239 723 L 4.6485 7.5381 123.2808 54.1711 43.4571 174.7931 724 E 4.8653 8.9955 127.6987 54.4095 32.1961 174.3064 725 I 4.7691 8.5209 128.0703 59.5532 40.0634 174.9003 726 S 4.8123 8.5644 122.6829 56.9575 66.3091 173.2832 727 G 2.7707 7.4381 108.0546 45.6590 0.0000 171.5982 728 T 4.9571 7.9999 114.2124 61.1226 71.5518 171.8622 729 F 5.5722 8.9224 121.9664 55.8967 42.0070 174.9555 730 T 4.8612 9.0844 111.1176 60.3383 72.9943 172.0478 731 H 5.2145 8.8404 120.7556 54.6218 32.6564 172.7813 732 R 4.4252 9.8397 128.9751 55.6476 31.8444 175.7050 733 Q 3.6152 9.8047 121.2459 56.2674 24.7350 171.1677 734 G 3.9285 8.1604 104.5304 45.8788 0.0000 171.0524 735 H 4.7811 7.7901 117.1430 53.6625 31.5979 172.6095 736 I 4.7979 7.8856 124.4271 60.4101 39.1444 174.3172 737 Y 5.1607 9.0585 123.1537 56.4449 42.5234 174.3207 738 M 4.6878 9.4087 123.5450 54.2482 33.7984 174.4803 739 E 4.9215 8.9012 127.6748 55.5077 31.1903 175.6466 740 M 4.9483 9.3942 123.8914 53.3228 36.9993 173.9922 741 N 5.3845 9.1323 118.7937 52.0072 42.0812 172.8156 742 F 5.2655 9.1613 125.0160 56.1178 41.6797 174.8211 743 T 4.9469 8.9674 120.0745 61.7596 72.3779 172.8650 744 N 4.8798 9.3667 125.7103 52.4382 39.3674 174.4156 745 K 4.5450 8.9815 125.1132 56.2053 33.0415 176.8331 746 A 4.5484 8.6763 125.1814 51.2287 20.8156 177.8568 747 L 4.6634 8.3669 116.2076 54.7311 42.1205 176.3323 748 Q 4.9597 7.7260 117.1428 53.8739 32.0035 175.0456 749 H 4.6919 8.8837 116.7453 56.0412 29.8654 174.2865 750 M 4.9590 9.0476 120.4853 54.0633 35.0376 175.2296 751 T 4.6541 8.4991 112.5403 60.2885 73.5638 172.9260 752 D 4.7838 8.6710 117.0933 55.4494 38.2735 173.8323 753 F 5.2280 8.5404 116.0911 57.5455 39.7683 175.1265 754 A 4.8491 8.6517 122.6421 51.1556 22.7676 174.6048 755 I 5.2593 8.1567 118.4090 59.8562 41.3867 173.9192 756 Q 4.4917 9.1644 124.6760 54.9973 32.3373 173.1813 757 F 5.6387 8.3295 118.0481 55.6427 41.9081 175.0096 758 N 4.6992 9.0752 121.0497 53.0560 39.7845 174.8029 759 K 4.3721 8.5063 121.7554 56.9253 33.0168 175.9272 760 N 4.9747 8.4290 119.2708 51.5928 40.6405 175.4386 761 S 3.8926 8.7447 115.0842 60.9868 62.8731 175.6565 762 F 4.5705 8.0858 115.7344 56.4351 39.2786 175.3442 763 G 3.9940 7.9399 108.4055 45.5137 0.0000 173.7151 764 V 4.5631 8.3888 120.6137 62.5461 32.0395 175.2146 765 I 4.8940 8.9359 120.3865 58.5252 41.4669 172.7083 766 P 4.7943 0.0000 0.0000 62.8757 31.4313 176.8130 767 S 4.4927 9.0486 117.6207 59.0045 63.8467 173.7558 768 T 4.6700 7.2646 109.5564 59.2190 71.6397 171.5045 769 P 4.3447 0.0000 0.0000 62.1913 31.8611 176.2487 770 L 3.9951 8.3234 122.7374 55.2002 42.8412 178.0299 771 A 4.3009 8.2496 131.8995 50.8576 17.2255 176.2454 772 I 4.2771 7.3261 119.8840 59.2957 39.3603 175.3678 *773 H 4.7348 8.7915 124.7448 55.7586 31.1515 173.9711 774 T 4.7442 7.4583 107.5713 58.8702 71.3573 171.8406 775 P 4.5632 0.0000 0.0000 62.8297 32.3363 175.7820 776 L 4.5928 9.0853 126.7433 54.3090 43.1250 175.9499 777 M 4.7302 10.5710 127.2413 53.7607 33.7961 174.4379 778 P 4.3069 0.0000 0.0000 64.7913 31.7949 176.9790 779 N 4.5674 9.1708 119.3178 53.4221 37.8319 174.7118 780 Q 4.4221 7.9545 117.7365 55.5017 30.5700 175.0578 781 S 5.1622 8.4677 115.9562 56.7243 65.2228 172.9616 782 I 4.6279 8.8664 120.5571 59.1681 40.8337 173.9441 783 D 5.1768 8.4586 123.1396 53.0077 42.6529 176.0636 784 V 4.1907 8.9544 122.5490 61.1526 34.7938 174.1612 785 S 5.0174 8.6705 123.9193 56.2329 64.3533 173.4427 786 L 4.6979 8.9753 129.5949 52.5294 43.3808 173.8537 787 P 4.6185 0.0000 0.0000 62.8110 32.4925 175.3608 788 L 5.4480 8.6440 123.0352 53.1479 45.2978 174.8703 789 N 5.1390 9.1292 117.9201 51.5620 41.6716 174.4967 790 T 4.9707 8.3459 106.4584 61.7489 69.1063 174.6909 791 L 4.3601 8.4086 120.4638 55.8565 41.8459 176.8985 792 G 4.1128 8.0432 107.8807 44.0259 0.0000 172.0197 793 P 4.5322 0.0000 0.0000 62.6653 32.5654 175.9100 794 V 4.6070 8.2608 123.1060 61.6055 33.0519 174.8185 795 M 4.7740 8.3821 126.9227 53.2816 35.8663 174.8411 796 K 4.0009 8.7368 125.2768 56.6168 33.0958 176.2317 797 M 4.4688 8.8002 127.4870 53.7085 34.0345 174.7564 798 E 4.8021 8.2736 120.3198 53.5589 32.1538 173.8150 799 P 4.6241 0.0000 0.0000 62.0522 32.3457 176.8512 800 L 4.2516 8.5767 121.1384 57.1067 42.0278 177.5987 801 N 4.7473 7.5410 113.7624 52.3720 37.5952 173.5539 802 N 4.9082 7.8405 117.8214 53.6983 40.0771 174.1347 803 L 4.5740 8.7114 126.7614 53.3457 45.3493 175.0014 804 Q 4.6700 8.5260 125.4108 55.0065 30.6466 174.9626 805 V 4.9509 8.7368 122.9629 60.8837 35.4454 173.8899 806 A 5.0459 9.0209 127.5716 50.0388 22.0390 175.0060 807 V 4.9336 8.8242 122.7267 60.9514 34.6679 174.2585 808 K 5.0934 9.1847 129.0076 54.9627 35.6386 175.0972 809 N 5.1321 8.8200 121.3738 50.6512 39.6081 174.1910 810 N 4.3459 7.9557 113.7763 54.9300 38.0066 176.0873 811 I 3.9960 8.0860 120.1992 63.0395 37.9710 174.7683 812 D 4.1621 7.3254 114.9544 53.6722 44.4170 173.2136 813 V 4.3118 7.5651 119.7395 60.9689 33.1089 175.0022 814 F 5.0701 9.0405 125.4022 55.8658 42.9951 173.5391 815 Y 5.4217 8.7237 118.2526 56.5613 41.3734 174.6375 816 F 5.1892 8.7895 116.7573 56.1139 41.8275 172.7934 817 S 5.2257 8.6973 113.4078 57.0381 66.1709 172.5270 818 C 4.6036 8.6931 114.2222 57.2699 33.2101 172.3722 819 L 4.9650 8.2999 119.7081 53.1363 43.0282 176.2654 820 I 3.4322 8.3793 126.5156 59.5041 37.7394 174.3564 821 P 4.3228 0.0000 0.0000 62.3925 31.9005 177.4574 822 L 3.7792 8.4217 122.8074 56.8254 41.5462 178.9726 823 N 2.0000 7.5279 116.8621 54.8528 36.9258 177.0650 824 V 3.7585 7.0519 113.4383 62.8847 31.8598 176.5631 825 L 4.4082 7.5123 118.5901 54.2304 41.8316 175.6884 826 F 5.0184 7.5311 119.3538 56.6774 38.9966 176.3240 827 V 4.0686 8.4603 120.1943 60.4512 32.3835 176.3917 828 E 4.1692 8.8151 122.5940 59.4831 30.0605 177.5025 829 D 4.6527 7.8936 118.9794 53.1423 39.6306 175.5918 830 G 4.0547 7.7672 104.9551 44.8223 0.0000 170.8813 831 K 4.3517 7.8078 121.6338 54.2761 31.6424 175.6176 832 M 4.2063 8.7064 126.5577 54.9209 33.0431 176.5975 833 E 4.1787 8.4452 124.0224 55.7675 31.6817 177.8685 834 R 3.8469 8.6181 122.9206 59.9410 30.0535 178.5868 835 Q 3.9809 8.1170 116.9160 59.3054 28.7883 179.3031 836 V 3.5466 7.7237 118.3974 65.7114 31.5837 177.5449 837 F 3.8901 8.6044 120.9138 61.2473 39.3128 176.8688 838 L 4.0116 8.3044 119.7593 58.1964 41.8428 178.8184 839 A 4.0295 8.0013 120.7404 55.3252 18.2548 179.8659 840 T 3.7331 8.3365 114.7352 66.2741 68.3134 176.5982 841 W 3.9052 8.0583 129.5354 60.6845 30.7033 177.8729 842 K 4.2269 8.0584 116.6941 59.4453 31.5230 178.5788 843 D 4.4329 8.2087 118.0580 56.1895 41.4734 177.0722 844 I 3.7495 7.2153 120.2393 60.1693 37.7518 174.1904 845 P 4.2522 0.0000 0.0000 62.8773 31.9266 177.1772 846 N 4.3300 8.8553 120.0120 56.2092 38.6875 177.0369 847 E 4.0632 8.0509 114.7924 58.7154 29.7290 177.7002 848 N 4.4142 8.1246 116.9057 55.1889 38.9169 175.0852 849 E 4.1743 7.7102 120.3240 56.2805 30.0950 176.2099 850 L 4.7803 9.1654 126.6187 52.9377 45.7093 175.3111 851 Q 5.0823 8.1167 120.5949 54.2343 31.3138 174.8959 852 F 4.5741 9.3934 120.9944 55.7644 44.0653 173.4780 853 Q 5.0224 8.4276 119.2518 54.3476 30.8110 175.5046 854 I 4.3164 8.8460 126.2852 59.7996 38.5227 174.6974 855 K 4.4631 8.6352 129.4132 56.2971 32.6993 177.0773 856 E 3.6169 9.2324 124.8743 57.5798 28.1230 173.4985 857 C 4.5970 8.0256 118.5246 58.1205 34.0697 172.8508 858 H 4.9796 8.3230 119.8451 55.4046 30.7200 173.5305 859 L 4.2935 7.8780 119.5897 54.5163 42.2934 177.2861 860 N 4.6817 8.5361 118.9129 52.6022 40.7718 176.2696 861 A 3.9488 8.5380 124.4024 55.4604 18.4137 179.7781 862 D 4.3186 8.0727 117.0002 57.2573 39.4388 179.0309 863 T 3.9490 7.7716 116.7332 65.8036 68.4804 176.9720 864 V 3.5528 8.0305 120.7467 66.1919 31.6320 178.2858 865 S 4.1269 8.4986 115.5902 61.5826 62.7301 176.9270 866 S 4.1569 8.1188 117.0162 61.2013 62.6400 176.7985 867 K 3.9351 7.7390 121.1300 59.1941 32.0799 178.9998 868 L 3.9693 7.9000 119.2822 57.7933 41.4913 179.2636 869 Q 3.8930 8.0161 120.7652 58.5861 28.7307 178.0187 870 N 4.5851 7.8658 115.5764 54.8937 37.4258 175.3469 871 N 4.8827 8.0682 118.1822 52.5329 39.2134 174.4660 872 N 3.7900 7.7215 113.3221 54.1425 36.4156 174.4964 873 V 4.1544 6.7806 118.8097 61.4428 32.2130 173.6969 874 Y 4.6993 8.6016 126.0625 57.1163 39.8294 175.1515 875 T 4.6349 8.5647 120.6968 63.2536 68.7778 174.6292 876 I 4.1731 9.1136 128.7967 63.3923 38.2712 176.1087 877 A 4.6367 7.4929 120.6879 50.6472 22.5606 175.0737 878 K 4.9636 8.5747 120.1942 54.5254 35.3620 175.2080 879 R 4.6295 9.1170 127.3640 54.5178 32.8669 173.4752 880 N 5.1099 8.7873 125.1368 52.2796 40.5663 174.5503 881 V 4.1028 8.6504 125.8112 61.5502 33.1050 174.7433 882 E 3.7004 9.9067 130.1374 57.2234 26.8651 174.3674 883 G 4.1775 8.2868 106.4801 45.5389 0.0000 173.8415 884 Q 4.3827 7.8373 118.1717 55.7875 30.2382 175.1137 885 D 5.2619 8.8100 122.7160 52.8665 43.6811 175.2598 886 M 4.9831 8.9499 122.5904 53.5657 35.1619 174.4079 887 L 4.9416 8.5609 124.6170 53.0583 44.5601 175.1375 888 Y 4.9307 8.6583 121.2091 56.3183 40.3869 174.9208 889 Q 5.2797 9.5885 122.8356 54.3895 33.7388 174.2338 890 S 5.7940 9.3151 116.3839 57.0312 66.9207 172.6367 891 L 5.1696 8.9952 119.9411 54.8972 44.3030 174.1071 892 K 4.5260 8.1073 120.0063 54.7184 35.4937 175.7389 893 L 5.4660 8.9009 127.5052 53.4904 42.8403 178.2252 894 T 3.7945 8.5823 110.5437 64.5428 68.6519 174.7945 895 N 4.5757 8.2201 117.1516 52.8927 37.7653 175.7553 896 G 3.8536 8.2573 108.4117 45.0606 0.0000 173.6997 897 I 4.0889 7.7475 121.6344 60.8074 38.0927 175.4697 898 W 4.9027 8.9122 127.1530 56.2755 30.5793 175.7937 899 I 4.8039 8.9947 123.8752 59.6873 39.9746 174.6006 900 L 5.6010 8.8878 126.6650 53.5818 44.2072 175.4971 901 A 5.4702 9.8324 122.8255 50.6177 23.5199 174.7263 902 E 4.6459 9.6486 121.5607 54.2863 32.5714 174.2724 903 L 5.0211 8.7299 130.2607 53.4571 44.3626 174.7422 904 R 4.7827 9.0953 127.6492 54.7478 32.2191 174.4813 905 I 4.2879 8.6216 128.1585 59.5897 39.2543 174.7935 906 Q 5.0580 8.5150 125.7886 53.0263 32.0449 173.5430 907 P 4.3353 0.0000 0.0000 63.8573 32.0136 177.3300 908 G 3.9253 8.8683 108.5919 45.6351 0.0000 172.5170 909 N 4.8607 7.7315 119.0702 51.3614 40.1588 172.4430 910 P 4.6386 0.0000 0.0000 63.4431 32.8844 174.8302 911 N 5.3454 8.5985 118.6440 51.8981 41.0097 173.6117 912 Y 5.0835 8.6587 121.2073 57.2688 40.6290 174.6680 913 T 4.8341 8.4442 119.5430 62.2623 70.6637 173.3593 914 L 5.0429 9.3039 129.6239 53.5218 44.2215 174.9774 915 S 5.3887 9.4032 123.1425 56.7946 65.6381 173.1172 916 L 5.3901 9.6023 125.1508 52.8401 45.0822 175.5990 917 K 4.6839 8.8653 122.3222 54.6385 35.1476 174.8073 918 C 5.0279 8.1977 123.2018 58.1390 34.7385 174.8693 919 R 3.9322 8.9507 123.2556 57.9742 30.3795 176.9558 920 A 4.7057 7.3330 121.7316 48.5822 18.8194 174.5535 921 P 4.4003 0.0000 0.0000 65.0746 31.4086 178.3017 922 E 4.1003 8.3411 116.5778 59.6053 29.4599 178.9488 923 V 4.0224 8.1559 119.1173 65.6501 31.4818 177.8624 924 S 4.1591 8.1262 115.4375 61.9245 62.7882 176.2851 925 Q 3.8090 8.3267 121.2736 59.7606 28.4942 178.2216 926 Y 4.1676 8.1239 117.2733 60.7067 37.8597 178.2503 927 I 3.9660 7.7242 120.6971 64.3857 37.3669 177.3407 928 Y 3.9528 7.8451 120.4891 60.8340 38.4562 178.2476 929 Q 3.4504 7.7821 118.8715 58.9034 28.7863 179.3515 930 V 3.7756 7.5927 119.7344 64.1526 31.6540 177.8591 931 Y 3.9654 8.2859 121.0918 60.6304 38.6996 177.1850 932 D 4.3081 8.4184 119.2895 57.7242 41.0232 178.5068 933 S 3.8755 7.5596 113.8944 61.6377 62.5291 176.5653 934 I 3.4761 7.7453 122.6426 64.1479 36.5664 178.4855 935 L 4.0625 7.5993 119.0038 56.8805 41.5522 178.5311 936 K 4.3633 7.5799 115.9417 56.3187 32.2870 176.5167 937 N 4.5313 7.5203 121.8294 53.4420 39.5440 174.0843 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 705 G 8.34 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 0.00 0.00 0.00 706 G 8.37 3.70 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 0.00 707 Y 9.28 4.26 0.00 2.78 2.89 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 0.00 708 V 7.49 3.87 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 0.81 0.00 0.00 0.91 0.00 0.00 709 A 7.89 3.96 1.23 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 0.00 0.00 710 P 0.00 4.34 0.00 2.03 1.96 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 711 K 8.40 3.94 0.00 1.46 1.46 0.00 1.50 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.17 1.29 7.81 712 A 8.15 4.73 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 0.00 713 V 8.20 3.80 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 0.88 0.00 0.00 0.85 0.00 0.00 714 W 8.87 4.74 0.00 2.83 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 0.00 0.00 0.00 715 L 7.31 4.48 0.00 1.17 1.16 1.01 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 716 P 0.00 4.49 0.00 2.21 2.12 0.00 3.75 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.94 0.00 717 A 8.72 4.14 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 718 V 7.67 3.91 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 0.79 0.00 0.00 0.92 0.00 0.00 719 K 7.92 4.41 0.00 1.86 1.89 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.44 7.81 720 A 7.19 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 721 K 9.50 4.00 0.00 2.05 1.96 0.00 1.96 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.46 1.65 7.81 722 G 8.61 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 723 L 7.54 4.65 0.00 1.68 1.20 1.00 0.65 0.00 0.00 0.00 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0.00 839 A 8.00 4.03 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 0.00 840 T 8.34 3.73 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 841 W 8.06 3.91 0.00 3.05 3.09 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 0.00 842 K 8.06 4.23 0.00 1.94 1.90 0.00 1.89 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.58 1.67 7.81 843 D 8.21 4.43 0.00 2.70 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 0.00 844 I 7.22 3.75 1.59 0.00 0.00 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 1.21 0.65 0.74 0.00 0.00 845 P 0.00 4.25 0.00 2.29 1.95 0.00 3.53 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 846 N 8.86 4.33 0.00 2.73 2.86 0.00 0.00 6.89 7.66 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 0.00 847 E 8.05 4.06 0.00 2.04 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0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.65 7.81 856 E 9.23 3.62 0.00 1.99 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 2.23 2.28 0.00 857 C 8.03 4.60 0.00 2.41 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 858 H 8.32 4.98 0.00 3.13 3.24 0.00 5.75 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 859 L 7.88 4.29 0.00 1.76 1.66 0.98 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 860 N 8.54 4.68 0.00 3.00 2.72 0.00 0.00 6.91 7.73 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 0.00 861 A 8.54 3.95 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 0.00 862 D 8.07 4.32 0.00 2.88 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 0.00 863 T 7.77 3.95 4.40 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 1.22 0.00 0.00 864 V 8.03 3.55 2.25 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 1.06 0.00 0.00 1.07 0.00 0.00 865 S 8.50 4.13 0.00 3.99 3.90 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 0.00 866 S 8.12 4.16 0.00 4.06 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 0.00 867 K 7.74 3.94 0.00 1.85 1.84 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.62 7.81 868 L 7.90 3.97 0.00 1.65 1.69 0.57 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 869 Q 8.02 3.89 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 870 N 7.87 4.59 0.00 3.00 3.01 0.00 0.00 6.87 7.67 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 0.00 871 N 8.07 4.88 0.00 2.81 2.82 0.00 0.00 6.84 6.46 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 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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 0.00 889 Q 9.59 5.28 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.70 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 890 S 9.32 5.79 0.00 4.36 4.37 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 0.00 891 L 9.00 5.17 0.00 1.42 1.67 0.95 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 892 K 8.11 4.53 0.00 0.79 1.08 0.00 1.36 0.00 0.00 1.48 0.00 0.00 2.24 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.90 0.21 7.81 893 L 8.90 5.47 0.00 1.84 1.59 1.05 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 894 T 8.58 3.79 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 895 N 8.22 4.58 0.00 2.88 3.10 0.00 0.00 6.28 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 896 G 8.26 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 897 I 7.75 4.09 2.05 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 1.28 0.72 0.99 0.00 0.00 898 W 8.91 4.90 0.00 3.21 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 899 I 8.99 4.80 1.88 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 1.26 0.89 0.98 0.00 0.00 900 L 8.89 5.60 0.00 1.64 1.81 0.34 0.57 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 0.00 901 A 9.83 5.47 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 902 E 9.65 4.65 0.00 1.95 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 1.92 1.47 0.00 903 L 8.73 5.02 0.00 1.85 1.49 1.12 0.68 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 0.00 904 R 9.10 4.78 0.00 1.81 1.75 0.00 3.11 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 905 I 8.62 4.29 1.55 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 -0.30 -0.20 0.56 0.00 0.00 906 Q 8.51 5.06 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.10 0.00 0.00 0.00 0.00 0.00 2.51 2.33 0.00 907 P 0.00 4.34 0.00 2.19 2.06 0.00 3.85 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 908 G 8.87 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 909 N 7.73 4.86 0.00 2.67 2.80 0.00 0.00 7.15 7.64 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 0.00 910 P 0.00 4.64 0.00 2.28 2.34 0.00 3.72 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 911 N 8.60 5.35 0.00 2.76 2.89 0.00 0.00 6.88 7.33 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 0.00 912 Y 8.66 5.08 0.00 2.92 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 0.00 913 T 8.44 4.83 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 914 L 9.30 5.04 0.00 1.63 1.58 0.38 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 915 S 9.40 5.39 0.00 3.96 4.09 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 0.00 916 L 9.60 5.39 0.00 1.72 1.60 0.73 0.39 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 0.00 917 K 8.87 4.68 0.00 0.79 1.07 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.23 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.82 0.49 7.81 918 C 8.20 5.03 0.00 2.99 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 0.00 919 R 8.95 3.93 0.00 1.87 1.98 0.00 3.25 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 920 A 7.33 4.71 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 921 P 0.00 4.40 0.00 2.30 2.33 0.00 3.77 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 922 E 8.34 4.10 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 923 V 8.16 4.02 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 1.21 0.00 0.00 1.13 0.00 0.00 924 S 8.13 4.16 0.00 4.25 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 0.00 925 Q 8.33 3.81 0.00 2.14 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.92 0.00 0.00 0.00 0.00 0.00 2.32 2.56 0.00 926 Y 8.12 4.17 0.00 3.29 3.04 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 0.00 927 I 7.72 3.97 2.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.96 1.01 0.00 0.00 928 Y 7.85 3.95 0.00 1.92 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 0.00 929 Q 7.78 3.45 0.00 2.30 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.27 2.53 0.00 930 V 7.59 3.78 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 0.98 0.00 0.00 1.02 0.00 0.00 931 Y 8.29 3.97 0.00 3.24 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 0.00 932 D 8.42 4.31 0.00 2.40 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 933 S 7.56 3.88 0.00 3.80 3.36 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 0.00 934 I 7.75 3.48 1.83 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 1.53 1.11 0.79 0.00 0.00 935 L 7.60 4.06 0.00 1.61 1.70 1.10 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 936 K 7.58 4.36 0.00 1.69 1.75 0.00 1.56 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.45 7.81 937 N 7.52 4.53 0.00 2.41 2.65 0.00 0.00 6.75 7.44 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 * Residues marked with a * may have inaccurate shift predictions.