NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 737 G 3.9566 8.3549 109.7359 45.5135 0.0000 175.9144 738 E 3.9410 8.1266 119.5014 58.6780 29.7822 177.1682 739 A 4.1319 8.3405 121.4171 54.0721 18.8134 178.9604 740 A 3.8899 7.7797 119.8438 55.3258 18.5819 179.7117 741 I 3.7387 7.6346 111.0604 63.9107 37.8746 177.6992 742 E 3.8501 8.1018 120.4377 58.9417 29.2339 178.7627 743 A 3.9443 8.1234 120.0260 55.2312 18.5841 179.5031 744 V 3.6627 7.5589 115.5173 66.0817 31.8328 177.5690 745 E 4.1140 8.7967 119.5960 58.8408 29.5974 177.8514 746 E 4.4386 8.4407 119.6739 56.6835 30.1830 178.2658 *748 E 4.2595 8.2200 118.6975 56.0449 31.8756 178.3641 749 R 3.8436 7.8386 118.0242 59.4419 30.1361 178.4439 750 L 3.9513 7.7031 118.1113 57.9281 41.7060 179.7062 751 L 3.9876 7.8229 118.2260 57.9851 41.6068 179.2984 752 R 3.8767 8.3407 118.3715 59.4317 30.0358 178.3640 753 E 3.8332 8.6511 117.7126 59.8761 29.1874 179.1969 754 A 3.9186 8.1927 120.1662 55.7813 18.5399 179.9507 755 S 3.8604 8.0691 111.5127 60.7428 62.7674 176.6147 756 S 3.9908 8.0975 117.6361 61.5807 62.0259 175.6612 757 I 3.6789 7.2219 121.0978 64.5025 36.9933 177.2972 758 L 4.1797 7.1733 115.5402 53.4164 42.8859 176.9244 759 R 3.7961 9.1984 117.5153 56.9194 27.7581 175.2753 760 V 4.5358 8.0372 115.7599 60.8805 35.7040 173.8025 761 E 4.3029 8.5850 121.9680 54.7648 30.3926 175.4543 762 P 4.1295 0.0000 0.0000 66.0327 31.1635 177.9320 763 A 4.1126 7.9500 120.2362 54.3674 18.3834 178.0287 764 K 4.4854 8.3409 113.0706 56.1872 33.0224 177.7339 765 L 3.8961 9.2027 123.4128 57.9696 41.6485 176.9809 766 P 4.2180 0.0000 0.0000 65.7904 31.5316 178.1404 767 K 4.0630 8.1110 116.2486 60.0763 31.9267 179.0777 768 T 4.0076 7.9600 115.5745 67.0249 68.2527 176.8642 769 V 3.7571 8.3123 119.0471 66.3926 31.7677 176.7010 770 E 4.1641 8.6867 120.3369 57.5376 29.3800 178.2844 771 R 3.8627 7.9660 117.5625 59.8457 30.4524 178.7241 772 F 4.1263 8.1644 117.0286 60.5047 38.9671 177.2852 773 F 4.5233 8.5207 120.3332 61.5310 39.0936 177.0498 774 E 3.7351 8.2392 117.4309 59.6104 29.4081 178.7766 775 E 3.9237 8.2245 118.5052 59.3635 29.5623 179.5652 776 W 4.1391 8.7032 128.6116 60.3097 30.8404 178.0480 777 K 3.6030 7.9354 118.3700 59.6645 31.4254 178.6533 778 D 4.2269 8.1242 118.8021 57.6602 40.8153 178.8665 779 Q 3.7937 8.1628 118.2418 59.3736 28.7773 180.3457 780 R 3.6493 7.4913 118.4554 58.9249 30.0993 179.0457 781 K 3.8097 7.7369 119.4159 59.4249 32.2227 178.3726 782 E 3.8828 8.8716 120.7098 59.2715 29.4089 178.9247 783 I 3.5991 7.7097 119.7032 64.4724 37.2628 177.9742 784 E 3.5813 8.0199 120.0382 59.5783 29.2781 178.4232 785 R 3.8928 7.9219 118.9757 58.8284 30.2533 178.0408 786 L 3.9355 8.7025 118.8925 58.2683 41.7554 179.8031 787 K 3.9293 8.8331 118.9009 59.5339 32.0571 179.1461 788 S 4.1233 8.2438 115.1096 61.9670 62.8093 177.0392 789 V 3.7576 7.6906 121.7958 65.7180 31.1947 178.1633 790 I 3.7753 7.7051 118.4370 64.3377 36.8601 178.3282 791 A 4.2373 8.0326 121.7880 55.0141 18.2951 179.4825 792 D 4.3131 8.1205 117.6413 57.4387 40.9023 178.9775 793 L 4.3435 8.3338 121.2950 56.9881 41.6041 179.0389 794 W 4.3800 8.5765 128.3393 60.6640 30.4289 177.4352 795 A 3.8792 7.9025 119.5945 55.5361 18.1284 178.8952 796 D 4.4893 8.0795 117.1865 57.7228 40.7680 179.1926 797 I 4.1562 7.7762 113.5669 63.2579 37.9463 179.1230 798 L 4.1294 8.1187 122.6794 54.1302 41.1503 178.7999 *800 E 4.3264 8.2642 119.0897 55.9894 31.5441 177.7399 801 R 4.2026 7.8150 117.0926 56.8309 30.8226 176.2562 802 A 4.1412 8.0175 118.8297 53.0471 18.9832 177.3059 803 E 4.6780 8.6400 120.2824 55.4947 32.3139 175.1171 804 E 5.0176 8.6255 117.3655 54.9524 33.0811 174.0728 805 F 4.6857 8.9136 125.5877 57.4209 40.8939 174.8920 806 D 3.9699 8.9857 128.8683 55.4202 38.5736 172.9878 807 S 4.7588 7.6633 104.3386 59.8962 59.9615 168.6629 *809 K 4.3453 7.5958 118.0989 56.4770 33.9525 176.7691 810 V 5.5116 9.0298 117.8511 58.9375 34.2848 174.5838 811 V 4.3337 8.5663 126.0439 61.9465 33.2217 174.9309 812 A 5.0224 8.4517 129.2682 50.7062 20.7264 174.3729 813 E 4.6268 8.6168 120.7347 55.4827 33.8103 175.3358 814 V 4.1624 8.3931 122.9651 61.5071 31.8735 174.4174 815 V 4.2098 8.0439 127.8230 61.3754 33.5067 174.7941 816 D 4.9351 8.8858 127.6582 52.2880 39.7093 174.4115 817 A 4.9326 7.8013 123.3888 50.1683 23.7573 176.5136 818 D 4.8035 8.5728 119.5579 54.0098 39.2291 177.9341 *820 Q 4.1185 9.2267 118.0453 55.8871 30.4067 176.2250 821 A 4.1583 7.8018 119.1991 54.6312 18.1904 179.7250 822 L 3.8793 7.5915 117.9083 58.1056 41.7985 179.1278 823 Q 3.9812 8.0782 117.3884 59.2426 28.6731 178.9509 824 K 3.8209 7.9134 118.7875 59.8299 32.1405 178.9806 825 L 3.8184 7.6813 118.2797 57.8687 41.1110 179.3691 826 A 3.8262 8.4431 120.7793 55.3258 18.1666 179.5485 827 E 3.9012 8.4354 117.0025 59.7069 29.6111 179.4418 828 R 4.0263 7.7114 117.6999 59.5706 30.3881 179.0137 829 L 3.7903 8.3138 118.0708 56.8722 41.3986 178.9609 830 A 4.3395 7.2818 119.7311 53.8277 19.3150 179.0801 831 E 3.8887 8.1263 116.6310 59.6514 29.6297 178.3616 832 K 4.1998 8.1533 115.0223 56.1602 31.8921 176.9756 833 G 4.0474 8.1164 106.5759 46.4112 0.0000 173.3219 834 A 5.0016 7.7804 120.4614 49.9934 22.3119 176.2545 835 V 4.9348 9.6379 118.1101 60.2840 35.3493 175.8938 836 G 3.9176 6.4159 111.7613 46.4971 0.0000 170.6527 837 C 4.6661 7.3780 113.7845 57.5075 33.1013 173.2711 838 L 5.1794 9.1418 120.8711 52.8125 45.4826 174.9846 *840 A 4.4390 8.2334 119.1921 52.2382 20.2879 176.5055 841 K 4.2654 8.7706 122.9265 55.6164 32.4197 176.7312 842 G 3.4722 7.8911 117.5463 43.5584 0.0000 171.1568 843 E 3.8565 8.2770 119.4379 57.1810 29.6678 177.8968 844 G 3.9292 9.6565 113.1248 44.5143 0.0000 172.6275 845 K 4.1699 6.7917 115.8890 56.4005 36.3815 173.9852 846 V 4.1004 8.2313 122.1267 62.0335 33.2261 174.6752 847 F 5.3760 9.1307 127.0483 56.6746 39.8712 175.3410 848 V 4.8256 8.9230 124.1833 61.0008 34.4272 174.6541 849 V 4.9485 9.1862 126.6926 60.2831 34.9709 174.3584 850 T 4.8600 8.8347 113.7252 59.9862 72.4270 172.4565 851 F 5.4131 7.4410 114.9024 56.0772 41.7099 173.7677 852 S 4.6456 9.5365 116.3697 56.8928 64.5370 172.9723 853 G 4.2267 9.9123 117.1323 46.5449 0.0000 171.8367 854 Q 5.2192 7.7308 119.8970 53.7607 32.2977 175.9276 855 K 3.7504 8.6226 116.3820 59.7016 32.8539 176.9877 856 Y 4.1846 7.2586 117.2179 57.8265 38.6144 174.8974 857 D 4.9181 8.6818 120.9036 52.8295 42.9517 176.8699 858 A 3.8846 9.5771 130.5661 55.4654 18.4631 179.5858 859 R 3.8335 8.0809 116.4347 59.5323 30.2085 178.9705 860 E 4.0229 8.3661 117.5263 59.5750 29.5750 178.9090 861 L 2.4894 7.6328 120.0824 57.5711 41.8731 178.7526 862 L 3.7239 7.9540 120.3585 58.2614 41.8327 178.7786 863 R 4.0405 8.1006 118.6848 59.5631 30.1165 177.9842 864 E 4.0188 7.9901 119.2531 58.9332 29.6900 178.5657 865 I 3.9443 7.6154 112.9718 63.5594 37.8536 178.3134 866 G 3.6545 8.5131 107.9946 47.6575 0.0000 175.5111 867 R 3.9363 7.6237 119.8048 58.3721 30.0244 177.8892 868 V 4.1731 6.9489 116.2120 62.3268 32.9850 176.8598 869 A 4.3611 8.4099 119.6972 50.4939 20.5266 175.2966 870 K 3.9227 8.7003 117.6354 55.9573 29.2909 174.4374 871 G 4.4368 7.0735 104.7393 47.3688 0.0000 169.9562 872 S 4.6511 8.1884 114.2358 57.5534 66.7206 174.9813 873 G 4.2406 7.5725 108.2821 46.1153 0.0000 173.6969 874 G 4.1683 7.8192 110.0220 45.8598 0.0000 170.4501 875 G 3.7756 8.4130 108.7263 44.1449 0.0000 170.9050 876 R 4.9006 7.9862 116.6469 54.3750 31.8817 175.1099 877 K 4.2555 8.8499 115.7949 60.0103 32.3427 178.5258 878 D 4.4259 8.0654 116.9537 54.2010 40.6284 175.9933 879 V 5.0547 7.4814 118.0862 61.0726 35.5677 174.2593 880 A 4.8136 8.7361 127.5003 50.8955 22.4410 176.2382 881 Q 4.7449 8.3740 122.0455 54.8266 31.3911 174.7551 882 G 4.0014 7.7420 106.6210 46.4401 0.0000 172.0127 883 A 5.4223 8.5987 121.1015 50.4311 22.8905 175.4391 884 V 4.5397 8.4680 118.6216 62.2288 35.2595 175.0611 885 Q 4.0117 8.8116 124.2231 59.0505 28.7989 176.8780 886 Q 4.1053 8.2086 117.7778 55.7388 29.5236 175.3288 887 L 4.4589 8.3652 125.4744 53.3080 43.0745 175.9061 888 L 4.5834 8.2018 126.1318 54.0241 43.0904 176.1707 889 D 4.5849 9.5860 121.7453 53.4345 42.0715 177.0508 890 R 3.8362 8.6356 124.9836 59.6552 30.3328 177.1959 891 E 3.9789 8.4668 117.8160 59.5251 29.7906 179.1564 892 E 4.2671 7.9185 114.4037 57.1445 29.0561 178.6948 *894 L 4.2225 8.0718 120.1483 55.1566 43.6856 178.5904 895 D 4.3914 8.0931 118.3447 58.2386 40.7665 178.7419 896 V 3.5461 7.8519 117.8573 65.9118 31.2383 177.7352 897 I 3.5696 7.6412 118.2423 64.6869 36.9209 177.9236 898 F 3.5560 9.1227 118.6009 60.6475 38.7349 177.7451 899 R 3.9438 8.3174 118.2763 59.2386 29.8166 177.9780 900 F 4.2020 8.5962 120.8219 61.5301 39.4616 177.2352 901 L 3.5170 7.9760 118.4782 57.6322 41.0695 179.2374 902 S 4.1379 8.2966 112.6656 61.5265 62.2498 176.0623 903 E 4.0176 8.5144 120.8293 59.7160 29.3780 178.4111 904 H 4.1112 7.3392 114.6318 57.6966 28.9631 175.3368 905 E 4.4872 8.0539 122.4101 57.1631 31.1661 175.7128 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 737 G 8.35 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 0.00 0.00 0.00 738 E 8.13 3.94 0.00 2.07 1.99 0.00 0.00 0.00 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 2.38 0.00 739 A 8.34 4.13 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 0.00 740 A 7.78 3.89 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 0.00 741 I 7.63 3.74 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 1.60 0.84 0.91 0.00 0.00 742 E 8.10 3.85 0.00 2.08 1.98 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 2.30 2.32 0.00 743 A 8.12 3.94 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 0.00 744 V 7.56 3.66 2.12 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 0.82 0.00 0.00 1.02 0.00 0.00 745 E 8.80 4.11 0.00 2.29 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 2.30 2.35 0.00 746 E 8.44 4.44 0.00 2.25 1.86 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 2.29 2.38 0.00 *748 E 8.22 4.26 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.60 0.00 749 R 7.84 3.84 0.00 1.96 2.09 0.00 3.09 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 750 L 7.70 3.95 0.00 1.72 1.68 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 751 L 7.82 3.99 0.00 1.67 1.70 0.91 0.94 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 0.00 752 R 8.34 3.88 0.00 1.98 1.93 0.00 3.15 0.00 0.00 3.16 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.89 0.00 753 E 8.65 3.83 0.00 1.96 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 2.32 2.52 0.00 754 A 8.19 3.92 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 0.00 755 S 8.07 3.86 0.00 4.19 4.12 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 0.00 756 S 8.10 3.99 0.00 4.03 4.10 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 0.00 0.00 0.00 757 I 7.22 3.68 1.92 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.78 0.82 0.00 0.00 758 L 7.17 4.18 0.00 1.53 1.59 0.82 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 759 R 9.20 3.80 0.00 1.94 1.95 0.00 3.13 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 760 V 8.04 4.54 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 0.82 0.00 0.00 1.03 0.00 0.00 761 E 8.59 4.30 0.00 2.19 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 2.36 2.30 0.00 762 P 0.00 4.13 0.00 2.23 2.38 0.00 3.74 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 2.08 2.00 0.00 763 A 7.95 4.11 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 0.00 764 K 8.34 4.49 0.00 1.80 1.83 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.35 7.81 765 L 9.20 3.90 0.00 1.82 1.74 0.93 0.96 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 0.00 766 P 0.00 4.22 0.00 2.06 2.12 0.00 3.70 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 2.04 2.20 0.00 767 K 8.11 4.06 0.00 1.96 1.89 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.56 7.81 768 T 7.96 4.01 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 769 V 8.31 3.76 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 0.74 0.00 0.00 0.96 0.00 0.00 770 E 8.69 4.16 0.00 2.31 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 2.36 2.43 0.00 771 R 7.97 3.86 0.00 1.87 1.81 0.00 3.09 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 772 F 8.16 4.13 0.00 3.35 3.14 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 0.00 773 F 8.52 4.52 0.00 3.23 3.33 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 0.00 774 E 8.24 3.74 0.00 2.20 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 2.42 2.48 0.00 775 E 8.22 3.92 0.00 2.23 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 2.28 2.54 0.00 776 W 8.70 4.14 0.00 3.55 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 777 K 7.94 3.60 0.00 1.82 1.68 0.00 1.55 0.00 0.00 1.08 0.00 0.00 2.51 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.17 1.02 7.81 778 D 8.12 4.23 0.00 2.76 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 0.00 779 Q 8.16 3.79 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.72 0.00 780 R 7.49 3.65 0.00 1.68 1.61 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.93 0.00 781 K 7.74 3.81 0.00 1.73 1.86 0.00 1.59 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.39 7.81 782 E 8.87 3.88 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 783 I 7.71 3.60 1.92 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.84 0.86 0.00 0.00 784 E 8.02 3.58 0.00 2.03 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 2.27 2.34 0.00 785 R 7.92 3.89 0.00 2.05 2.07 0.00 3.16 0.00 0.00 3.14 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 786 L 8.70 3.94 0.00 1.79 1.71 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 787 K 8.83 3.93 0.00 1.91 1.84 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.98 0.00 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0.80 0.00 0.00 866 G 8.51 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 0.00 0.00 0.00 867 R 7.62 3.94 0.00 1.97 2.18 0.00 3.25 0.00 0.00 3.28 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 868 V 6.95 4.17 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 0.96 0.00 0.00 0.92 0.00 0.00 869 A 8.41 4.36 1.36 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 0.00 0.00 870 K 8.70 3.92 0.00 1.96 1.88 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.51 7.81 871 G 7.07 4.44 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 0.00 0.00 0.00 872 S 8.19 4.65 0.00 3.82 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 0.00 873 G 7.57 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 0.00 0.00 0.00 0.00 874 G 7.82 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 0.00 0.00 0.00 875 G 8.41 3.78 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 0.00 0.00 0.00 876 R 7.99 4.90 0.00 1.89 1.95 0.00 3.09 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 877 K 8.85 4.26 0.00 1.86 1.92 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.45 7.81 878 D 8.07 4.43 0.00 2.87 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 0.00 879 V 7.48 5.05 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 1.10 0.00 0.00 0.98 0.00 0.00 880 A 8.74 4.81 1.19 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 0.00 0.00 881 Q 8.37 4.74 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 882 G 7.74 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 0.00 0.00 0.00 0.00 883 A 8.60 5.42 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 0.00 884 V 8.47 4.54 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 0.88 0.00 0.00 0.92 0.00 0.00 885 Q 8.81 4.01 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 886 Q 8.21 4.11 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.67 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 887 L 8.37 4.46 0.00 1.56 1.55 0.91 1.00 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 0.00 888 L 8.20 4.58 0.00 1.65 1.55 0.89 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 889 D 9.59 4.58 0.00 2.65 2.60 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 0.00 890 R 8.64 3.84 0.00 1.80 1.94 0.00 3.32 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.88 0.00 891 E 8.47 3.98 0.00 2.04 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 2.34 2.37 0.00 892 E 7.92 4.27 0.00 2.31 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 2.31 2.26 0.00 *894 L 8.07 4.22 0.00 1.75 1.41 0.80 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 895 D 8.09 4.39 0.00 2.78 2.72 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 0.00 896 V 7.85 3.55 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 0.91 0.00 0.00 0.96 0.00 0.00 897 I 7.64 3.57 2.11 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.47 0.81 0.00 0.00 898 F 9.12 3.56 0.00 3.26 3.10 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 0.00 0.00 0.00 899 R 8.32 3.94 0.00 1.90 2.14 0.00 3.14 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 900 F 8.60 4.20 0.00 3.04 3.14 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 0.00 901 L 7.98 3.52 0.00 0.61 0.84 0.28 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 902 S 8.30 4.14 0.00 3.69 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 0.00 903 E 8.51 4.02 0.00 1.87 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.54 0.00 904 H 7.34 4.11 0.00 3.13 3.31 0.00 5.69 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 905 E 8.05 4.49 0.00 1.92 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 2.17 2.15 0.00 * Residues marked with a * may have inaccurate shift predictions.