NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 727 L 4.2832 8.1844 120.7658 53.4433 43.4502 176.2654 728 S 4.4886 7.6282 113.5566 56.7164 64.7688 172.6173 729 T 3.8682 9.3115 128.0334 66.7689 68.7692 176.1425 730 I 3.7036 7.6597 121.3134 64.4841 37.3950 178.3808 731 S 4.2210 7.9682 117.5707 62.3450 62.3858 177.4152 732 R 3.9463 7.7898 122.9609 61.0831 29.2357 180.8118 733 A 4.3589 7.7217 120.1674 54.2470 18.5489 178.9068 734 L 4.3420 7.6436 115.8222 54.9937 42.3888 177.4723 735 T 3.9389 7.2753 116.7540 62.7124 68.8063 172.4937 736 P 4.4423 0.0000 0.0000 62.2791 32.3301 176.4376 737 S 4.3525 8.3949 114.8694 57.2972 64.0474 173.2064 738 P 4.2762 0.0000 0.0000 66.3577 30.4676 179.0217 739 V 3.6767 7.7214 118.2790 64.7320 31.4908 177.9819 740 M 4.1077 8.0935 119.2346 58.3792 32.0307 178.6285 741 V 3.7500 7.7843 118.9292 64.6791 31.5498 178.1879 742 L 4.0634 7.9791 119.6911 57.6121 41.1844 179.0837 743 E 4.2998 7.8915 118.6537 59.4789 29.7218 178.3194 744 N 4.5974 7.9773 115.4313 55.8101 38.7498 176.5945 745 I 4.3193 7.9376 111.9105 60.1164 38.4752 175.7021 746 E 4.0779 7.6626 123.3770 55.6960 29.8985 174.8181 747 P 4.5492 0.0000 0.0000 62.5583 32.1096 175.9877 748 E 4.2902 8.4865 119.1105 55.9060 30.1776 177.1051 749 I 3.8647 8.2812 122.4881 61.7828 37.7268 176.2233 750 V 4.4635 8.1636 117.8949 60.1850 33.2330 175.2715 751 Y 4.3872 8.5582 120.1919 57.0994 39.0251 175.9081 752 A 4.1619 9.0975 126.1438 53.0266 18.9391 178.0683 753 G 3.8644 8.8559 103.7716 46.7723 0.0000 173.4043 754 Y 4.1542 8.4724 120.5470 57.2155 39.0159 174.6926 755 D 4.3458 8.1574 127.0796 52.5590 40.3927 176.4760 756 S 3.7247 7.8844 121.8610 60.1211 62.8024 175.5652 757 S 4.2176 8.1837 114.8705 61.0709 63.1175 175.3888 758 K 4.1330 7.3596 118.4354 54.9107 32.3466 175.0913 759 P 4.3864 0.0000 0.0000 63.1814 32.1788 176.9993 760 D 4.6336 8.3659 122.1662 53.4359 39.5121 176.0984 761 T 4.4784 7.3121 113.2386 59.8355 72.7475 175.7762 762 A 4.2191 8.4094 126.3891 55.4541 18.4683 180.0313 763 E 3.9602 8.3131 116.3464 61.6360 29.5753 180.9638 764 N 4.5486 7.8897 117.2071 56.1299 38.6147 177.7093 765 L 4.0524 8.0344 120.3625 57.8557 41.6952 179.6555 766 L 4.0020 8.5397 119.3513 57.7672 41.5619 179.7453 767 S 4.1502 8.0433 115.1341 61.8674 62.6872 176.8208 768 T 3.9165 8.1962 118.6707 66.7011 68.1213 176.7216 769 L 3.8485 8.0906 121.0049 57.8197 41.5659 179.3641 770 N 4.3451 8.2754 116.5746 56.0845 38.4979 177.5203 771 R 3.8853 7.9945 120.2856 59.2866 30.1540 178.2973 772 L 3.9924 8.2656 120.2400 58.0903 42.0023 178.6821 773 A 4.2225 8.3910 121.1435 55.1626 18.2731 179.7714 774 G 3.6078 8.1567 104.1231 48.0410 0.0000 176.0182 775 K 4.0611 7.9869 120.9392 59.2049 31.9868 179.5623 776 Q 4.0700 8.4336 118.4358 59.3471 28.6987 178.7075 777 M 4.1696 8.5680 120.0071 58.3368 31.4702 178.8883 778 I 3.7932 7.7000 119.9375 64.4803 37.3735 178.3811 779 Q 4.2115 7.7634 118.3179 58.5564 28.5152 178.7195 780 V 3.7209 8.0750 119.8179 65.9423 31.5727 178.1973 781 V 3.7230 8.0926 118.0707 66.1497 31.1658 178.2427 782 K 4.1470 7.7198 115.8636 58.8237 32.2216 179.0408 783 W 4.3142 8.2442 128.4868 60.4876 30.7952 178.0656 784 A 3.0839 8.5687 121.1225 54.6372 17.4477 179.4696 785 K 4.0971 8.0151 117.5498 58.8251 32.2194 178.4557 786 V 4.3747 7.1046 109.6930 59.6529 32.4699 175.0526 787 L 3.9252 7.1101 122.8644 53.3841 42.2548 174.5512 788 P 4.4476 0.0000 0.0000 64.4417 31.7031 174.5981 789 G 4.3220 9.1320 111.3699 45.8607 0.0000 175.3642 790 F 4.1411 8.2639 121.6145 60.7615 39.4925 177.3528 791 K 4.0249 8.1567 118.0240 59.6479 32.2650 177.3282 792 N 4.5051 7.5187 115.2745 54.4686 38.8270 175.4310 793 L 4.2683 7.5054 118.7119 53.0362 42.7637 175.0603 794 P 4.2734 0.0000 0.0000 62.4624 32.1167 177.2260 795 L 3.8559 8.7390 123.5024 58.7353 41.8215 179.3983 796 E 3.9322 8.0685 117.6401 59.6109 29.4098 178.9588 797 D 4.3720 8.0604 118.8476 57.1234 40.8383 178.8939 798 Q 3.7763 7.7794 118.1366 59.0101 28.8277 178.4971 799 I 3.7656 7.6759 120.7382 64.8104 37.1404 178.6197 800 T 3.6892 7.7477 115.8496 66.6412 68.2931 176.7441 801 L 4.2136 8.2712 121.0038 57.9319 41.7516 179.6953 802 I 3.8946 8.1528 119.8088 64.5272 36.8305 178.5647 803 Q 4.0997 7.9673 117.9380 59.2964 28.6208 178.1681 804 Y 4.7479 8.1306 116.9484 60.0449 38.0615 177.2769 805 S 4.7303 8.2869 113.4365 57.5640 63.7375 175.6387 806 W 4.4585 8.2925 121.6503 60.6201 27.5681 177.9024 807 M 3.1130 6.6428 118.4167 57.6499 31.5813 177.9641 808 S 3.9646 7.6955 112.9286 61.2865 62.6810 175.9924 809 L 4.0454 8.1571 121.9397 57.7436 41.3503 179.6947 810 S 4.1880 8.2458 115.4238 61.6939 62.8495 176.9692 811 S 4.0884 8.2010 117.1140 61.3331 62.8261 176.1938 812 F 4.2884 8.4181 124.1569 61.1180 39.1764 177.0486 813 A 4.3998 8.3957 121.7352 54.2987 18.1529 179.4266 814 L 3.8009 7.9815 119.2085 58.4976 42.1687 179.4361 815 S 4.3658 8.0382 116.4558 60.5441 62.5172 176.5471 816 W 4.3088 8.1295 131.1466 60.6087 30.4140 178.3711 817 R 3.6069 7.9711 118.0497 59.2022 29.4444 179.2158 818 S 4.1238 7.9943 114.9990 61.6010 62.8741 176.2023 819 Y 4.4092 7.7178 123.4922 59.9631 38.3333 177.9335 820 K 3.0244 7.1098 119.3435 59.5284 32.3791 178.2544 821 H 4.2584 7.6445 114.6519 57.1097 28.9145 176.1733 822 T 4.5319 6.8581 108.1336 60.1310 69.8169 173.4098 823 N 4.2015 8.5237 116.2293 53.8988 36.3400 174.0260 824 S 3.7381 8.1213 109.1927 59.7366 61.2908 174.8624 825 Q 3.7321 7.7771 123.2540 57.9566 28.9477 174.9249 826 F 5.1537 7.7066 113.7945 55.6637 43.7340 174.5898 827 L 4.2254 8.7831 119.7655 53.9547 42.1345 175.9572 828 Y 4.2208 8.8491 128.8071 56.1114 36.9527 175.9130 829 F 3.8756 8.3110 121.7853 59.7143 39.8824 175.2393 830 A 4.3460 7.4035 120.4987 50.3319 22.1784 175.2520 831 P 3.7584 0.0000 0.0000 64.3095 31.3477 177.4961 832 D 4.7763 7.6010 114.9190 52.8962 39.9517 176.6698 833 L 4.2487 7.6158 123.4167 53.9830 43.8921 172.8997 834 V 4.7898 7.9343 123.2891 60.6347 33.8001 174.2241 835 F 4.8050 9.5902 127.9314 56.7592 40.8647 175.1929 836 N 5.3428 8.3296 120.6876 51.1748 40.4533 174.8793 837 E 4.0674 9.1120 117.0360 59.8780 29.2935 179.0017 838 E 3.9617 8.1994 118.5351 59.5259 29.7433 179.0562 839 K 3.6921 8.1478 118.1719 59.2225 31.6336 179.3409 840 M 4.3384 7.7844 118.5229 58.7350 32.2138 178.1918 841 H 4.4180 8.3361 116.2443 59.1652 29.1005 178.0106 842 Q 4.1038 8.3538 119.9976 58.6738 28.2434 178.7456 843 S 4.3514 8.1718 113.9383 59.0279 63.1847 174.8441 844 A 3.9506 8.0347 124.0846 52.9002 16.8635 177.5033 845 M 4.7755 7.7985 114.3767 54.6508 31.6043 176.7927 846 Y 4.2050 8.6449 124.1403 62.9236 39.2620 177.1965 847 E 3.8314 8.3264 118.3876 61.0322 29.7448 180.9017 848 L 4.0850 7.6580 118.7550 57.9270 41.7706 179.0825 849 C 4.0502 7.9947 116.6430 63.0138 28.0184 176.2369 850 Q 4.0275 8.0335 119.8760 58.7239 27.7582 179.2077 851 G 3.4908 7.7784 106.7212 48.1075 0.0000 175.7852 852 M 4.0625 7.9473 121.2703 58.0806 31.9492 178.3576 853 H 4.0487 8.5868 119.0234 59.1981 30.0963 177.2500 854 Q 3.8452 8.1337 120.0454 58.9701 28.4782 178.9906 855 I 3.5122 7.1801 119.4708 64.4039 36.9577 178.6376 856 S 3.3749 7.2198 116.0002 61.3023 62.5431 176.8119 857 L 3.8804 7.5720 121.6117 57.6297 41.1806 179.4863 858 Q 4.0407 7.7191 117.9096 58.6453 28.6420 178.4265 859 F 4.1230 7.8252 119.1518 60.3137 38.8630 177.9133 860 V 3.7025 7.4940 120.3984 66.8050 31.2293 178.9422 861 R 3.9834 7.7101 118.9073 61.1428 29.2607 179.8071 862 L 4.4740 8.1298 117.0355 54.0957 42.7288 176.4635 863 Q 3.6367 7.7532 115.9225 55.0341 26.6725 173.9048 864 L 4.1254 7.6104 118.3471 55.9320 43.0153 176.6389 865 T 4.8766 8.6460 115.2021 60.0859 72.3062 175.6381 866 F 3.6725 8.9356 123.1873 61.2384 39.3669 177.1566 867 E 3.8038 8.2019 117.7687 59.4462 29.3299 178.8766 868 E 3.8806 7.9863 118.3994 59.4636 29.6242 178.6119 869 Y 3.9218 7.9357 120.0475 60.9947 38.5421 178.4296 870 T 3.2149 7.1860 110.4181 64.5896 68.6168 176.3977 871 I 3.6696 7.3293 122.0176 64.4340 37.2205 178.2351 872 M 3.9005 8.0741 119.7455 58.2558 31.8248 178.7997 873 K 3.6915 7.8860 119.8578 59.1653 32.0337 179.1487 874 V 3.5449 7.0470 118.0855 65.8759 31.8046 177.6680 875 L 4.0648 7.8085 118.7145 57.7923 41.4081 179.5538 876 L 3.9643 7.7387 120.2840 57.0321 41.2719 179.2414 877 L 4.2251 7.5431 120.4125 56.5024 41.9442 177.9184 878 L 5.0350 7.4192 117.2372 54.7549 42.8501 176.9843 879 S 4.6989 8.0092 115.1546 59.0123 64.5597 173.9941 880 T 4.9541 7.8993 116.3127 61.6931 71.5130 173.0918 881 I 4.6617 8.2151 119.1829 57.7962 41.7649 173.0318 882 P 4.7255 0.0000 0.0000 62.3850 31.6204 177.6567 883 K 3.5987 8.8202 125.8723 59.4358 32.1302 176.9917 884 D 4.6536 8.1546 115.5109 53.6027 40.9630 177.2427 885 G 3.9610 8.4992 104.7501 45.4190 0.0000 173.6170 886 L 4.3103 8.7718 122.4884 53.8730 42.7762 178.5912 887 K 4.0675 9.7410 124.2283 58.0798 32.1828 177.5028 888 S 4.8505 8.2971 116.6618 55.8079 62.2422 175.9276 889 Q 4.0876 8.1025 126.8609 59.2002 29.3583 177.4735 890 A 4.0133 8.0138 120.9454 55.2149 18.5770 179.3320 891 A 3.9870 8.0044 118.8580 55.0730 18.4083 179.4725 892 F 4.0838 8.2790 119.1941 61.6493 39.5326 177.2679 893 E 3.7546 8.4462 118.1840 59.1782 29.1745 179.0928 894 E 3.8726 8.0579 119.0998 59.4513 29.8674 178.5655 895 M 4.0044 8.0333 118.2813 58.5827 32.3218 178.1421 896 R 3.8403 7.9512 119.2388 59.6190 30.1803 178.5879 897 T 3.9033 7.9493 115.5516 66.7561 68.4613 176.3290 898 N 4.2656 8.0686 118.2930 56.6388 38.5687 177.1819 899 Y 3.9756 7.9008 117.7272 60.9032 37.8998 178.5888 900 I 3.9573 7.9537 121.0760 64.3834 37.1962 178.6153 901 K 4.0369 8.2538 119.4416 59.0035 31.7447 179.0999 902 E 3.8461 8.1866 119.8524 59.3358 29.6541 178.6809 903 L 3.9735 8.0508 120.3003 58.1654 41.8588 178.9177 904 R 3.8676 7.9474 120.5417 59.6743 30.0753 178.9909 905 K 4.0611 8.1049 123.8418 59.5432 31.5126 181.6047 906 M 4.2073 7.9507 118.5585 58.7452 32.3307 178.4156 907 V 3.6660 7.5784 116.6715 65.0147 32.0437 176.6240 908 T 3.5995 6.8232 117.6002 64.5210 68.9548 174.6199 *914 S 4.5435 8.7177 121.6200 57.9308 64.3199 172.7179 915 G 4.4132 7.6394 109.9324 46.7893 0.0000 174.6641 916 Q 4.7477 7.8406 116.8954 53.7859 29.6617 179.8302 917 S 4.1264 8.0868 117.1195 62.3009 62.9253 176.2532 918 W 4.3577 7.8792 122.1624 59.4094 28.8254 178.1290 919 Q 4.0081 8.2357 119.1025 59.1366 28.6528 177.9208 920 R 3.9173 8.1515 119.7139 59.5450 30.1103 178.0079 921 F 4.0898 8.3506 120.2824 61.6299 39.3507 176.3810 922 Y 4.0061 8.5500 119.0407 60.9167 38.5880 178.1642 923 Q 4.1072 8.6883 119.1769 58.8658 28.7576 178.7335 924 L 3.9374 7.9471 120.3699 57.9267 41.6826 179.6426 925 T 3.2727 7.4670 109.6338 64.2203 68.5335 176.9243 926 K 3.9055 7.6348 121.6171 58.9452 31.7445 179.0843 927 L 3.9586 7.5261 120.0664 58.0103 42.3366 178.5906 928 L 4.0058 7.9719 119.0513 57.9534 41.6298 179.2228 929 D 4.3301 8.1785 119.0051 57.4047 40.3802 179.0474 930 S 4.2705 8.1638 114.4499 61.4776 62.8006 176.4450 931 M 4.0523 7.8726 122.7132 58.4708 31.5889 178.1473 932 H 4.1439 7.9559 116.3781 59.0411 28.8936 177.5550 933 D 4.3975 8.0822 120.1071 57.1487 40.7067 178.3850 934 L 3.8991 7.5933 120.3149 58.2580 42.0799 179.2681 935 V 3.4600 8.1629 118.5921 65.7973 31.3609 177.8834 936 S 4.0583 8.1348 113.0820 61.4987 62.2279 175.9856 937 D 4.3745 7.9649 121.0953 57.2455 40.4765 178.7098 938 L 3.9634 8.0485 119.6658 57.8279 41.5316 179.6355 939 L 3.5646 8.1374 119.3368 57.3398 41.5574 179.0089 940 E 3.9167 8.0310 119.4088 59.3658 29.5712 178.8095 941 F 4.1679 8.1650 120.1985 61.2390 39.4922 176.6720 942 C 4.4710 8.5600 118.7827 62.8896 31.3699 175.6873 943 F 4.7327 8.8418 119.8341 60.6829 38.4298 177.1419 944 Y 4.1198 8.2236 119.1033 61.0670 38.4475 178.2554 945 T 3.7137 8.1871 110.5327 64.3306 68.6491 176.3407 946 F 3.6761 8.3422 123.9030 61.2358 39.2337 177.3764 947 R 3.8432 8.1299 116.4739 58.4235 29.9918 177.9790 948 E 4.5163 7.7872 117.4549 56.1655 30.5667 178.3845 949 S 4.2562 7.4706 119.6473 61.1595 62.6274 175.5117 950 H 4.0962 7.9757 120.3712 59.1395 29.8965 176.1180 951 A 4.0616 7.8198 121.7709 55.0609 18.4017 178.4357 952 L 4.1406 8.0505 114.3119 55.2750 41.9704 177.2587 953 K 3.8018 7.6626 116.8358 57.2941 29.8205 175.4290 954 V 4.1477 7.8752 118.2678 61.4993 32.3964 174.9052 955 E 4.6406 8.6499 127.4269 55.4067 30.6699 175.8453 956 F 4.8113 8.4909 119.4608 54.5705 42.7879 174.0528 957 P 4.5763 0.0000 0.0000 61.8609 33.2854 177.3067 958 A 4.0403 8.6634 121.8967 55.8509 18.1758 179.7328 959 M 3.9052 8.0870 115.8778 59.0328 32.2755 178.3874 960 L 3.7402 7.8394 118.4404 57.4617 41.8405 179.3015 961 V 3.7361 8.0075 118.3462 65.9100 31.3226 177.5804 962 E 3.8569 8.4156 119.2293 59.4003 29.4245 178.8226 963 I 3.5040 7.4537 119.4724 64.4484 37.1031 178.5244 964 I 3.5225 7.7456 120.7846 64.3392 36.5816 178.3921 965 S 4.0195 7.6099 115.0675 61.8970 62.6309 176.1395 966 D 4.3965 7.5007 119.6108 56.8672 40.9806 178.0941 967 Q 3.8019 8.1918 120.3730 59.0302 29.0757 177.5434 968 L 2.8884 7.7708 121.7441 57.7910 42.0394 177.3876 969 P 4.1791 0.0000 0.0000 65.2676 31.2227 178.8694 970 K 4.0213 7.6104 117.1331 59.4376 32.0427 179.6055 971 V 3.6865 8.1639 118.7404 66.2311 31.3834 177.9107 972 E 4.2150 8.3062 116.7008 58.3530 29.3914 178.3329 973 S 4.5715 7.8396 112.3508 57.9924 63.5827 174.8536 974 G 3.8893 7.8585 110.6147 46.3496 0.0000 173.9221 975 N 4.7410 8.4695 115.4922 53.4334 39.6596 174.1754 976 A 4.3314 7.7807 121.6532 49.8193 20.9926 176.2053 977 K 4.3643 8.8805 125.0822 53.8744 34.3732 173.5595 978 P 4.6677 0.0000 0.0000 62.3745 32.1345 175.7383 979 L 4.6297 8.5852 124.9608 53.4339 42.8300 175.8147 980 Y 4.7993 8.5453 120.7276 56.2348 41.0285 175.6387 981 F 4.2406 9.5599 121.1284 59.3742 39.7188 175.3000 982 H 5.0487 8.8094 115.9625 53.3105 32.0929 173.7526 983 R 4.1714 8.9754 118.3289 57.2552 29.5558 175.2787 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 727 L 8.18 4.28 0.00 1.68 1.63 0.92 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 728 S 7.63 4.49 0.00 3.90 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 0.00 729 T 9.31 3.87 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 1.21 0.00 0.00 730 I 7.66 3.70 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 1.69 0.87 0.91 0.00 0.00 731 S 7.97 4.22 0.00 3.99 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 732 R 7.79 3.95 0.00 1.97 1.89 0.00 3.26 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 733 A 7.72 4.36 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 0.00 734 L 7.64 4.34 0.00 1.64 1.73 0.92 0.70 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 0.00 735 T 7.28 3.94 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 1.21 0.00 0.00 736 P 0.00 4.44 0.00 2.19 2.07 0.00 3.77 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 2.00 1.97 0.00 737 S 8.39 4.35 0.00 4.01 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 0.00 738 P 0.00 4.28 0.00 2.21 2.26 0.00 3.66 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 739 V 7.72 3.68 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 0.87 0.00 0.00 0.92 0.00 0.00 740 M 8.09 4.11 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.72 0.00 741 V 7.78 3.75 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 0.93 0.00 0.00 0.96 0.00 0.00 742 L 7.98 4.06 0.00 1.98 1.78 1.03 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 743 E 7.89 4.30 0.00 2.20 2.31 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 2.46 2.64 0.00 744 N 7.98 4.60 0.00 2.96 2.93 0.00 0.00 7.05 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 745 I 7.94 4.32 2.00 0.00 0.00 0.63 0.00 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0.00 2.18 2.04 0.00 795 L 8.74 3.86 0.00 1.71 1.67 0.91 0.97 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 0.00 796 E 8.07 3.93 0.00 2.01 1.95 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 2.37 2.38 0.00 797 D 8.06 4.37 0.00 2.74 2.66 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 0.00 798 Q 7.78 3.78 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.87 0.00 0.00 0.00 0.00 0.00 1.16 2.19 0.00 799 I 7.68 3.77 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 1.54 0.86 0.88 0.00 0.00 800 T 7.75 3.69 4.39 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 1.22 0.00 0.00 801 L 8.27 4.21 0.00 2.16 2.15 1.25 1.11 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 0.00 802 I 8.15 3.89 2.13 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.19 1.02 0.00 0.00 803 Q 7.97 4.10 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.01 0.00 0.00 0.00 0.00 0.00 2.32 2.59 0.00 804 Y 8.13 4.75 0.00 3.13 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 0.00 805 S 8.29 4.73 0.00 4.17 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 806 W 8.29 4.46 0.00 3.75 3.64 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 0.00 807 M 6.64 3.11 0.00 1.60 0.84 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 808 S 7.70 3.96 0.00 3.82 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 0.00 809 L 8.16 4.05 0.00 1.91 1.67 1.04 1.11 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 0.00 810 S 8.25 4.19 0.00 3.93 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 811 S 8.20 4.09 0.00 3.98 4.04 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 0.00 0.00 0.00 916 Q 7.84 4.75 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.86 0.00 0.00 0.00 0.00 0.00 2.25 1.87 0.00 917 S 8.09 4.13 0.00 3.65 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 0.00 918 W 7.88 4.36 0.00 3.50 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 0.00 919 Q 8.24 4.01 0.00 2.17 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.88 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 920 R 8.15 3.92 0.00 2.09 2.14 0.00 3.24 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 921 F 8.35 4.09 0.00 3.21 3.37 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 0.00 922 Y 8.55 4.01 0.00 3.24 3.28 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 0.00 923 Q 8.69 4.11 0.00 2.37 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.58 2.84 0.00 924 L 7.95 3.94 0.00 1.57 1.53 0.88 0.37 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 0.00 925 T 7.47 3.27 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 -0.32 0.00 0.00 926 K 7.63 3.91 0.00 1.72 1.72 0.00 1.55 0.00 0.00 1.42 0.00 0.00 2.55 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.52 0.82 7.81 927 L 7.53 3.96 0.00 1.84 1.89 1.14 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 928 L 7.97 4.01 0.00 1.84 1.66 0.73 0.57 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 0.00 929 D 8.18 4.33 0.00 3.01 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 0.00 930 S 8.16 4.27 0.00 4.08 4.14 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 0.00 0.00 0.00 931 M 7.87 4.05 0.00 1.94 2.18 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.89 0.00 932 H 7.96 4.14 0.00 3.30 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 933 D 8.08 4.40 0.00 2.72 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 0.00 934 L 7.59 3.90 0.00 1.73 1.77 0.85 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 935 V 8.16 3.46 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.84 0.00 0.00 936 S 8.13 4.06 0.00 4.01 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 0.00 937 D 7.96 4.37 0.00 2.87 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 938 L 8.05 3.96 0.00 1.69 1.58 0.80 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 939 L 8.14 3.56 0.00 1.57 0.86 0.93 0.43 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 0.00 940 E 8.03 3.92 0.00 2.24 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 2.38 2.41 0.00 941 F 8.17 4.17 0.00 3.24 3.19 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 0.00 942 C 8.56 4.47 0.00 3.26 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 0.00 943 F 8.84 4.73 0.00 3.16 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 0.00 944 Y 8.22 4.12 0.00 3.20 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 0.00 945 T 8.19 3.71 4.42 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 1.10 0.00 0.00 946 F 8.34 3.68 0.00 3.13 3.28 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 0.00 947 R 8.13 3.84 0.00 1.87 1.91 0.00 3.23 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.94 0.00 948 E 7.79 4.52 0.00 1.53 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.03 0.00 949 S 7.47 4.26 0.00 4.45 4.28 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 0.00 950 H 7.98 4.10 0.00 3.07 3.33 0.00 5.93 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 0.00 951 A 7.82 4.06 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 0.00 952 L 8.05 4.14 0.00 1.68 1.76 0.78 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 953 K 7.66 3.80 0.00 1.93 1.91 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.44 7.81 954 V 7.88 4.15 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 0.69 0.00 0.00 0.99 0.00 0.00 955 E 8.65 4.64 0.00 1.97 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 0.00 2.34 2.28 0.00 956 F 8.49 4.81 0.00 3.06 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 0.00 957 P 0.00 4.58 0.00 2.20 2.00 0.00 3.77 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.18 0.00 958 A 8.66 4.04 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 0.00 959 M 8.09 3.91 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.69 0.00 960 L 7.84 3.74 0.00 1.90 1.92 0.73 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 961 V 8.01 3.74 2.29 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 1.19 0.00 0.00 1.16 0.00 0.00 962 E 8.42 3.86 0.00 2.21 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 2.25 2.33 0.00 963 I 7.45 3.50 1.29 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.47 0.34 0.00 0.00 964 I 7.75 3.52 0.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.46 -0.25 0.00 0.00 965 S 7.61 4.02 0.00 3.96 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 0.00 966 D 7.50 4.40 0.00 2.83 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 967 Q 8.19 3.80 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.49 0.00 0.00 0.00 0.00 0.00 2.67 2.62 0.00 968 L 7.77 2.89 0.00 1.09 1.32 0.74 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 969 P 0.00 4.18 0.00 2.15 2.04 0.00 3.66 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 970 K 7.61 4.02 0.00 2.10 2.08 0.00 1.50 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.49 1.63 7.81 971 V 8.16 3.69 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 1.29 0.00 0.00 972 E 8.31 4.21 0.00 2.02 2.03 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 2.45 2.45 0.00 973 S 7.84 4.57 0.00 4.07 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 974 G 7.86 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 0.00 975 N 8.47 4.74 0.00 3.00 2.94 0.00 0.00 6.79 7.25 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 0.00 976 A 7.78 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 977 K 8.88 4.36 0.00 1.70 1.71 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.34 7.81 978 P 0.00 4.67 0.00 1.98 1.36 0.00 3.71 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 2.04 2.00 0.00 979 L 8.59 4.63 0.00 1.46 1.48 1.10 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 980 Y 8.55 4.80 0.00 2.84 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 0.00 981 F 9.56 4.24 0.00 3.15 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 0.00 982 H 8.81 5.05 0.00 3.10 3.27 0.00 5.83 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 0.00 983 R 8.98 4.17 0.00 1.72 1.98 0.00 2.21 0.00 0.00 2.78 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.20 0.00 * Residues marked with a * may have inaccurate shift predictions.