NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 730 L 4.3719 8.0427 120.6341 54.8238 43.9094 178.6438 731 L 3.8216 7.9732 118.8190 56.8638 42.1433 176.8688 732 K 4.0370 8.1994 119.4472 59.5652 32.6271 177.6583 733 L 3.7709 8.0722 120.0186 58.5207 41.8429 178.5288 734 E 3.8721 8.1995 118.6875 58.8382 29.4835 178.9961 735 K 3.8795 8.8860 119.9540 59.4119 32.1605 178.8669 736 E 3.8042 8.0757 118.9480 59.1646 29.6348 178.2477 737 L 3.1805 7.9611 120.6060 57.9797 42.0892 178.8048 738 L 3.7723 7.7681 120.1770 57.5991 41.9642 178.5871 739 K 3.7934 7.8105 119.7890 59.7643 32.1438 178.7896 740 Q 3.7039 7.6777 118.1314 58.7660 28.2130 178.7483 741 I 3.5040 7.3274 120.0939 64.1366 37.1284 178.3626 742 K 4.2535 7.7705 118.3061 59.4779 31.9913 178.8516 743 L 4.3569 7.5772 118.2057 57.1105 41.8883 177.0019 744 D 4.3405 7.4956 115.1530 53.4098 42.3582 172.1865 745 P 4.6325 0.0000 0.0000 62.6467 31.7816 177.0286 746 S 4.2186 8.3700 114.5249 58.4916 63.4276 172.7352 747 P 4.5526 0.0000 0.0000 65.9299 31.1897 178.4830 748 Q 4.1099 8.1425 117.7951 59.6224 29.0487 178.3994 749 T 4.0407 7.9064 116.4889 66.7056 68.4207 176.9877 750 I 3.8947 8.0820 121.8484 64.4929 37.1787 177.7652 751 Y 4.4545 8.5074 120.5846 60.7321 38.5621 178.1877 752 K 3.8383 8.4371 120.5460 59.0851 32.2436 178.3758 753 W 4.0448 8.7332 129.1302 60.6344 30.5890 177.7394 754 I 3.7525 8.3585 119.7383 64.6969 36.4346 178.6749 755 K 3.9394 7.7466 117.4768 59.1507 31.8794 178.5667 756 D 4.4722 7.7949 117.4417 55.2578 41.1097 176.6243 757 N 4.5690 7.2132 113.4711 52.0332 40.3744 174.1738 758 I 4.3339 7.4433 119.1775 58.7187 40.1336 175.2817 759 S 3.9800 8.6015 119.8857 57.9149 62.6800 173.3372 760 P 3.5601 0.0000 0.0000 65.2042 31.1604 178.5598 761 K 3.8988 7.5111 117.5834 58.9861 32.2040 177.9562 762 L 4.1619 7.7419 117.9253 56.3549 41.8140 178.2404 763 H 3.5249 7.7737 115.4201 57.3503 28.6768 176.3835 764 V 4.4297 7.5685 111.4527 60.7720 32.4101 174.9922 765 D 4.7659 8.0106 120.2302 53.2888 42.9931 177.3756 766 K 4.1805 8.7452 125.9462 59.5229 32.2016 179.8615 767 G 3.6444 8.2426 105.7541 47.5671 0.0000 175.4458 768 F 4.1624 8.8030 123.1787 61.1988 39.4108 177.4087 769 V 3.1687 8.0551 117.9219 65.6202 31.1354 177.4309 770 N 4.2002 8.3470 117.4454 56.7255 38.8768 176.9444 771 I 3.6072 7.6320 114.4579 63.6402 37.5802 177.8059 772 L 3.3469 7.6977 122.4410 58.0628 41.8637 178.7494 773 M 4.1379 7.9026 118.0661 58.7942 32.0909 178.1308 774 T 3.8021 8.0818 116.3059 66.8375 68.5960 176.6072 775 S 4.0201 7.9137 116.7865 61.5303 62.7188 176.8401 776 F 4.2597 7.8187 120.2914 60.6059 38.5876 177.7209 777 L 3.9920 8.1005 118.5408 57.8379 41.2920 179.4948 778 Q 4.0197 8.3032 118.3028 59.1759 28.6825 178.4394 779 Y 4.0259 8.2306 120.3642 60.8042 38.8312 178.0344 780 I 3.7736 8.3424 121.0442 64.6224 37.2880 178.4548 781 S 4.1664 8.3587 116.2237 61.7922 62.5124 176.8826 782 S 4.2372 7.9761 115.4878 61.4869 62.4668 176.0429 783 E 4.0354 7.5640 121.0382 58.7271 29.5496 178.5934 784 V 4.1440 7.9095 118.8876 63.5587 33.1045 175.7242 785 N 4.9556 8.3228 116.0159 50.9171 38.5682 171.6742 786 P 4.4722 0.0000 0.0000 61.2624 32.7789 174.1761 787 P 4.3469 0.0000 0.0000 62.8059 30.4893 175.3059 788 S 4.3139 7.8753 113.4900 59.4958 64.8798 176.1966 *796 A 4.1209 7.4222 127.7949 50.6139 18.4881 173.9871 797 P 4.6730 0.0000 0.0000 61.8240 32.7286 177.4792 798 S 4.4828 8.8947 117.0452 57.5697 65.2777 175.5167 799 K 3.8855 8.5505 122.3588 60.4681 31.9797 178.9563 800 E 3.9429 8.1286 119.0589 59.2475 29.4085 179.2372 801 Q 3.9615 8.1511 118.0823 58.8028 28.8226 178.3713 802 L 3.9450 7.9896 120.1203 57.9894 41.7230 179.3749 803 E 3.8957 8.3338 119.0103 59.2533 29.2407 178.4756 804 Q 3.9416 8.3230 119.9428 59.1312 28.9990 178.0638 805 E 3.9687 8.2761 120.2270 59.1477 29.7632 178.5171 806 K 3.6437 8.0118 119.6474 59.6897 32.2234 178.6954 807 Q 3.9557 8.1190 118.1133 58.8629 28.6867 178.7914 808 L 3.7802 8.0704 120.1376 57.6492 41.6856 179.2686 809 L 4.0787 8.1070 120.4520 58.0302 41.7633 178.6754 810 L 3.8984 8.1020 120.0002 58.2319 42.1023 178.9330 811 S 4.0883 7.7347 112.8332 61.0277 63.0803 175.7697 812 F 4.5904 7.4913 119.7634 58.3439 38.8676 177.4805 813 K 3.7640 7.7340 120.3185 59.4565 31.8810 176.7769 814 P 4.5222 0.0000 0.0000 65.1611 30.6934 178.9384 815 V 3.4295 7.6646 116.8798 66.2302 31.6888 177.7889 816 M 4.2865 8.1276 118.4286 58.7332 31.7416 178.7999 817 Q 4.0156 8.5994 118.4225 58.7064 28.5727 178.8065 818 K 3.7798 7.5458 119.9254 59.6009 32.2459 178.5182 819 F 4.5738 7.5159 115.5773 59.4952 39.3132 177.0528 820 L 4.5389 8.0461 117.9063 54.6524 42.3080 176.4610 821 H 4.4373 7.8654 115.1843 56.8839 28.7830 175.2523 822 D 4.5734 8.2292 117.8895 55.1246 38.9805 174.4910 823 H 4.8963 7.9391 117.6782 53.0702 29.4430 174.1353 824 V 3.6005 8.0554 123.4049 65.7598 31.7206 176.6738 825 D 4.4488 8.1289 117.4098 57.1637 41.1070 178.0072 826 L 4.1470 7.9671 119.2357 57.5957 41.6573 179.1315 827 Q 3.9124 8.2705 118.4299 58.7182 28.4978 178.9116 828 V 3.5376 7.8603 119.4492 66.0676 31.5556 178.1217 829 S 4.2925 8.1344 114.7181 61.7857 62.7103 176.6628 830 A 3.9376 8.1001 123.3408 55.0814 18.0811 179.6816 831 L 3.7262 7.9454 117.6483 58.0241 41.4614 179.3763 832 Y 4.2079 8.0449 116.5947 60.7751 37.6519 178.0827 833 A 3.8970 8.0756 121.9438 55.3880 18.3684 179.5555 834 L 3.8899 8.0287 118.5482 57.9998 42.1538 178.7018 835 Q 4.1890 8.5793 120.0941 59.5388 28.9993 178.7940 836 V 3.7734 8.2188 119.4408 66.0719 31.0338 177.2459 837 H 4.0860 8.6062 118.5021 59.7026 29.5889 177.0667 838 C 3.9345 8.3670 118.6982 62.6267 27.9256 175.2301 839 Y 2.7591 7.9702 121.4574 60.5832 38.1248 178.1851 840 N 4.2442 8.7420 116.0062 55.4031 38.5433 176.4609 841 S 4.4733 6.7909 113.7214 57.1335 63.4356 173.2150 842 N 3.8359 7.7919 118.3957 55.2407 37.9715 174.2988 843 F 3.9231 7.5592 110.4081 57.0669 37.0840 174.2363 844 P 4.2785 0.0000 0.0000 62.2442 32.3118 176.4319 845 K 3.9426 8.7026 122.4607 58.2833 32.3095 177.4025 846 G 3.9650 9.0254 113.0668 46.6513 0.0000 175.0348 847 M 4.0607 8.2258 119.6529 58.6179 32.2263 177.7070 848 L 3.9386 7.9267 119.9235 58.2787 42.2805 178.6053 849 L 3.4419 7.6398 119.6772 57.7334 41.9931 178.5308 850 R 3.6436 8.1057 119.0508 59.3471 29.8535 178.5898 851 F 3.6147 8.2272 117.6148 60.1916 38.7551 177.5736 852 F 4.1186 8.2575 117.6218 60.5142 38.4801 177.8426 853 V 3.5174 7.6355 118.0009 66.2210 31.2189 177.5040 854 H 4.2432 8.0521 115.9546 59.3464 28.6344 177.8336 855 F 4.6042 8.7776 119.6694 60.6476 38.6777 177.3331 856 Y 4.5606 8.9217 119.7290 61.1874 38.5929 177.5699 857 D 4.4473 8.6041 118.7032 57.3358 41.0228 177.8713 858 M 4.2818 8.3696 116.8110 54.7080 32.3865 175.8912 859 E 3.7770 7.8617 117.6951 57.5022 27.8095 176.1097 860 I 3.9311 7.7790 121.1036 63.0306 37.6896 177.0366 861 I 4.4995 7.4205 119.3811 58.9133 40.2004 175.5707 862 E 4.5111 9.2381 125.0939 55.1996 31.8123 177.2037 863 E 4.3690 9.1575 121.9655 60.2434 29.5363 179.2583 864 E 4.0642 8.4705 117.4203 59.5637 29.4355 179.1890 865 A 4.0659 8.0145 120.2461 54.9895 18.5269 179.4093 866 F 4.1654 8.0846 115.9530 61.0051 39.0735 177.9847 867 L 4.2684 8.3860 118.2856 57.5676 41.1843 179.3627 868 A 4.0957 8.4141 120.7509 54.7764 18.5181 179.1494 869 W 4.1843 8.6257 127.1205 60.4158 30.5550 177.8365 870 K 3.4374 8.2978 118.2291 59.5839 31.7812 177.8339 871 E 4.3182 7.8993 114.8455 55.6990 29.9951 176.2330 872 D 4.4987 7.3829 120.1663 54.1854 41.8116 175.3861 873 I 4.2539 8.2698 125.9324 62.2650 39.4008 176.6068 874 T 3.9300 8.1333 109.4313 63.8731 68.6123 174.0546 875 Q 4.3444 7.7112 120.1650 54.5199 30.3356 175.8388 876 E 4.3908 7.5359 117.4185 55.2652 29.9250 174.2045 877 F 4.7073 8.0927 123.6667 54.9197 42.5936 173.6267 878 P 4.3021 0.0000 0.0000 63.2749 32.1293 176.5436 879 G 4.3221 8.6761 106.7723 45.8387 0.0000 175.3503 880 K 4.2725 8.2375 122.2287 59.2237 32.1688 179.1083 881 G 3.5750 8.0568 105.6540 47.8503 0.0000 175.8083 882 K 3.8880 8.0123 120.5411 58.5724 32.1911 179.1321 883 A 3.7560 7.9773 121.2658 55.2208 18.3542 179.3520 884 L 4.1102 8.2071 117.4580 58.2653 41.5319 179.6265 885 F 4.1232 8.1640 119.0360 61.6272 39.3723 176.9450 886 Q 4.0646 7.9886 115.8733 57.7310 28.8060 177.7516 887 V 4.2160 7.4735 110.6955 60.7668 32.3838 177.0648 888 N 4.3779 8.3650 118.3037 56.7330 38.4781 176.7780 889 Q 3.9822 8.0513 120.1139 58.7860 29.1501 178.0308 890 W 4.0604 8.1687 128.9413 60.5261 30.8375 177.8296 891 L 4.0073 8.6907 119.4025 58.1461 41.0073 179.7156 892 T 3.8501 8.3613 116.0538 66.2565 68.1534 176.4436 893 W 3.8265 7.9912 129.2676 60.2244 30.7522 177.2858 894 L 3.8613 7.4208 119.0909 58.2550 41.5155 178.4030 895 E 4.0577 8.1892 118.3617 58.0965 29.8209 175.6727 896 T 4.4420 7.5710 106.6966 59.5966 72.0610 173.6151 897 A 3.1597 8.0698 122.8303 51.9667 19.1150 176.8204 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 730 L 8.04 4.37 0.00 1.76 1.82 0.97 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 731 L 7.97 3.82 0.00 1.73 1.71 0.93 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 732 K 8.20 4.04 0.00 1.88 1.81 0.00 1.81 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.53 7.81 733 L 8.07 3.77 0.00 1.78 1.75 1.17 0.91 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 0.00 734 E 8.20 3.87 0.00 2.25 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 0.00 2.25 2.27 0.00 735 K 8.89 3.88 0.00 1.89 1.82 0.00 1.72 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.60 1.59 7.81 736 E 8.08 3.80 0.00 2.16 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 0.00 2.78 2.26 0.00 737 L 7.96 3.18 0.00 1.79 1.61 0.73 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 738 L 7.77 3.77 0.00 1.81 1.68 0.93 0.51 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 0.00 739 K 7.81 3.79 0.00 1.79 1.85 0.00 1.65 0.00 0.00 1.91 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.44 7.81 740 Q 7.68 3.70 0.00 1.36 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 1.91 1.16 0.00 741 I 7.33 3.50 1.57 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.33 0.15 0.00 0.00 742 K 7.77 4.25 0.00 1.88 1.95 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.74 1.74 7.81 743 L 7.58 4.36 0.00 1.70 1.72 0.87 0.86 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 0.00 744 D 7.50 4.34 0.00 2.59 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 0.00 745 P 0.00 4.63 0.00 2.32 1.85 0.00 3.86 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 746 S 8.37 4.22 0.00 3.97 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 0.00 747 P 0.00 4.55 0.00 2.25 2.28 0.00 3.66 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 2.07 2.10 0.00 748 Q 8.14 4.11 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.92 0.00 0.00 0.00 0.00 0.00 2.52 2.55 0.00 749 T 7.91 4.04 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 750 I 8.08 3.89 2.11 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 1.36 0.92 1.02 0.00 0.00 751 Y 8.51 4.45 0.00 3.23 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 752 K 8.44 3.84 0.00 1.97 2.04 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.48 7.81 753 W 8.73 4.04 0.00 3.54 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 754 I 8.36 3.75 2.20 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.05 0.88 0.00 0.00 755 K 7.75 3.94 0.00 1.56 1.69 0.00 1.30 0.00 0.00 0.61 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.23 0.75 7.81 756 D 7.79 4.47 0.00 2.51 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 0.00 757 N 7.21 4.57 0.00 1.44 1.72 0.00 0.00 6.74 8.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 758 I 7.44 4.33 1.92 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.41 0.69 0.00 0.00 759 S 8.60 3.98 0.00 3.74 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 0.00 760 P 0.00 3.56 0.00 2.14 2.17 0.00 3.62 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.90 0.00 761 K 7.51 3.90 0.00 1.71 1.87 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.35 7.81 762 L 7.74 4.16 0.00 1.61 1.46 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 763 H 7.77 3.52 0.00 3.20 3.54 0.00 5.61 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 0.00 764 V 7.57 4.43 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 0.70 0.00 0.00 0.98 0.00 0.00 765 D 8.01 4.77 0.00 2.82 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 766 K 8.75 4.18 0.00 1.92 1.94 0.00 1.79 0.00 0.00 1.90 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.61 1.58 7.81 767 G 8.24 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 0.00 0.00 0.00 768 F 8.80 4.16 0.00 3.07 3.24 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 0.00 769 V 8.06 3.17 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 0.93 0.00 0.00 1.06 0.00 0.00 770 N 8.35 4.20 0.00 2.88 2.97 0.00 0.00 6.92 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 771 I 7.63 3.61 1.78 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.41 0.97 0.00 0.00 772 L 7.70 3.35 0.00 0.63 1.26 0.27 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 773 M 7.90 4.14 0.00 2.11 2.00 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 2.65 2.81 0.00 774 T 8.08 3.80 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 775 S 7.91 4.02 0.00 3.58 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 776 F 7.82 4.26 0.00 3.16 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 777 L 8.10 3.99 0.00 1.56 1.09 0.84 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 778 Q 8.30 4.02 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 779 Y 8.23 4.03 0.00 3.09 3.21 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 0.00 780 I 8.34 3.77 2.19 0.00 0.00 1.21 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 *796 A 7.42 4.12 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 0.00 797 P 0.00 4.67 0.00 2.05 1.99 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 798 S 8.89 4.48 0.00 4.14 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 0.00 799 K 8.55 3.89 0.00 1.98 2.11 0.00 1.50 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.53 7.81 800 E 8.13 3.94 0.00 2.07 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 2.39 2.45 0.00 801 Q 8.15 3.96 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.50 2.39 0.00 802 L 7.99 3.94 0.00 1.83 1.70 0.88 0.64 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 0.00 803 E 8.33 3.90 0.00 2.01 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 2.28 2.29 0.00 804 Q 8.32 3.94 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 805 E 8.28 3.97 0.00 2.17 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 0.00 2.15 2.41 0.00 806 K 8.01 3.64 0.00 1.90 1.89 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.40 7.81 807 Q 8.12 3.96 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 808 L 8.07 3.78 0.00 1.94 1.79 0.97 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 809 L 8.11 4.08 0.00 1.91 1.78 1.26 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 810 L 8.10 3.90 0.00 1.85 1.60 0.89 0.97 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 0.00 811 S 7.73 4.09 0.00 3.83 3.73 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 F 7.49 4.59 0.00 2.81 2.26 0.00 0.00 0.00 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1.13 0.00 0.00 829 S 8.13 4.29 0.00 4.13 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 0.00 830 A 8.10 3.94 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 0.00 0.00 831 L 7.95 3.73 0.00 1.39 0.67 0.29 0.04 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 0.00 832 Y 8.04 4.21 0.00 2.94 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 0.00 0.00 0.00 833 A 8.08 3.90 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 0.00 834 L 8.03 3.89 0.00 1.90 1.85 0.54 0.51 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 0.00 835 Q 8.58 4.19 0.00 2.50 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.75 2.90 0.00 836 V 8.22 3.77 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 1.04 0.00 0.00 1.04 0.00 0.00 837 H 8.61 4.09 0.00 3.23 3.41 0.00 5.83 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 0.00 838 C 8.37 3.93 0.00 3.16 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 0.00 839 Y 7.97 2.76 0.00 2.91 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 0.00 840 N 8.74 4.24 0.00 2.84 2.80 0.00 0.00 7.01 7.21 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 0.00 841 S 6.79 4.47 0.00 3.66 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 842 N 7.79 3.84 0.00 2.68 2.78 0.00 0.00 7.25 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 843 F 7.56 3.92 0.00 3.24 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 0.00 844 P 0.00 4.28 0.00 2.20 2.00 0.00 3.60 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 845 K 8.70 3.94 0.00 1.73 1.77 0.00 1.89 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.43 7.81 846 G 9.03 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 0.00 0.00 0.00 847 M 8.23 4.06 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.64 0.00 848 L 7.93 3.94 0.00 1.93 1.57 1.01 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 849 L 7.64 3.44 0.00 1.51 1.44 0.35 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 850 R 8.11 3.64 0.00 1.83 2.02 0.00 2.98 0.00 0.00 3.05 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.34 0.00 851 F 8.23 3.61 0.00 3.07 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 0.00 852 F 8.26 4.12 0.00 2.41 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 853 V 7.64 3.52 2.00 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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-0.25 0.00 0.00 862 E 9.24 4.51 0.00 2.03 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 2.33 2.31 0.00 863 E 9.16 4.37 0.00 2.32 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 2.51 2.56 0.00 864 E 8.47 4.06 0.00 2.16 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 0.00 2.46 2.51 0.00 865 A 8.01 4.07 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 0.00 866 F 8.08 4.17 0.00 3.49 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 0.00 867 L 8.39 4.27 0.00 1.84 1.82 1.02 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 868 A 8.41 4.10 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 869 W 8.63 4.18 0.00 3.27 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 870 K 8.30 3.44 0.00 2.10 2.14 0.00 1.99 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.56 7.81 871 E 7.90 4.32 0.00 2.04 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 2.51 2.49 0.00 872 D 7.38 4.50 0.00 2.91 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 873 I 8.27 4.25 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 1.47 0.89 0.92 0.00 0.00 874 T 8.13 3.93 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 1.23 0.00 0.00 875 Q 7.71 4.34 0.00 1.75 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.35 2.68 0.00 876 E 7.54 4.39 0.00 1.85 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.00 0.00 877 F 8.09 4.71 0.00 3.09 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 0.00 878 P 0.00 4.30 0.00 0.70 1.67 0.00 3.88 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.69 0.00 879 G 8.68 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 880 K 8.24 4.27 0.00 2.06 1.89 0.00 1.52 0.00 0.00 1.97 0.00 0.00 2.29 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.47 1.48 7.81 881 G 8.06 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 882 K 8.01 3.89 0.00 1.45 1.27 0.00 1.70 0.00 0.00 2.02 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.50 7.81 883 A 7.98 3.76 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 884 L 8.21 4.11 0.00 1.97 1.81 0.82 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 885 F 8.16 4.12 0.00 3.02 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 0.00 886 Q 7.99 4.06 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.51 0.00 0.00 0.00 0.00 0.00 2.45 2.59 0.00 887 V 7.47 4.22 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 -0.08 0.00 0.00 1.14 0.00 0.00 888 N 8.36 4.38 0.00 2.83 2.90 0.00 0.00 6.57 8.39 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 0.00 889 Q 8.05 3.98 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.92 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 890 W 8.17 4.06 0.00 3.37 3.35 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 0.00 891 L 8.69 4.01 0.00 2.03 1.88 1.49 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 892 T 8.36 3.85 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 1.20 0.00 0.00 893 W 7.99 3.83 0.00 3.50 3.08 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 0.00 0.00 0.00 894 L 7.42 3.86 0.00 1.08 1.59 0.46 0.61 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 0.00 895 E 8.19 4.06 0.00 1.93 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 2.30 2.29 0.00 896 T 7.57 4.44 4.08 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 0.00 0.00 1.15 0.00 0.00 897 A 8.07 3.16 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.