NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 681 S 4.5731 8.3349 117.1050 58.0094 62.8886 172.4881 682 Y 4.4382 8.5760 124.5638 54.9036 38.8511 173.5713 683 K 4.8679 8.7362 123.2375 54.1614 36.5112 173.3400 684 P 5.0014 0.0000 0.0000 63.1805 32.7342 175.4866 685 V 4.9881 9.2913 115.8108 59.6543 36.6942 174.0046 686 F 5.1309 9.3211 125.8276 56.5423 41.3327 174.8142 687 V 4.2904 8.0237 127.7433 63.0970 31.6259 176.1542 688 T 4.3755 8.9917 119.2778 63.3217 70.3801 175.3304 689 E 4.8772 8.1411 119.9520 54.5369 34.2989 174.2789 690 I 5.1570 8.5612 124.2236 59.8601 39.7840 175.4967 691 T 4.6227 9.0084 117.5146 60.4372 70.7007 175.7598 692 D 4.5228 8.8864 121.6504 56.8221 40.9901 177.0331 693 D 4.7252 8.0747 117.7900 53.2268 40.9150 175.7222 694 L 3.7501 7.6071 118.9996 56.7143 41.0533 173.6496 695 H 5.0083 7.8737 113.4450 54.3175 32.0199 173.9779 696 F 5.3675 7.9318 112.3521 56.4228 41.2816 172.7423 697 Y 5.1183 9.3418 118.8308 56.7447 40.2947 175.2575 698 V 5.1572 8.7348 115.2131 59.8601 36.6609 174.3507 699 Q 5.4409 9.0319 121.5837 53.1985 32.0047 174.8892 700 D 4.7444 8.6393 122.9769 53.9240 42.0777 177.2079 701 V 3.7086 8.5428 127.0248 65.9725 31.7537 177.8202 702 E 4.0907 8.5407 118.2823 58.5871 29.6241 177.4436 703 T 5.1925 7.2827 106.7404 60.3023 69.5633 176.0965 704 G 3.6607 8.1802 111.3931 48.5980 0.0000 176.1797 705 T 3.8768 7.8463 117.4956 66.5141 68.6472 176.5552 706 Q 3.9749 8.0141 119.3850 58.8208 28.7642 178.3651 707 L 3.9331 7.9707 121.3019 58.1091 42.0319 178.5756 708 E 3.9058 8.2945 119.1717 59.1787 29.5241 178.6255 709 K 3.8803 8.2570 119.7861 59.4437 32.2083 178.2843 710 L 4.0098 8.1361 120.6942 58.5354 41.9502 178.8538 711 M 3.8843 8.1680 118.5195 58.2602 31.9632 178.1876 712 E 3.8568 8.4045 119.7273 59.6158 29.8399 178.7828 713 N 4.3767 8.4753 116.7346 56.3044 38.5661 177.0864 714 M 2.5500 8.1206 120.0724 58.2733 32.1053 178.6109 715 R 3.8156 7.9108 118.1514 58.9600 29.9668 178.5024 716 N 4.2533 7.7965 116.2935 56.6659 38.7618 176.1690 717 D 4.4924 8.0511 119.4761 57.1497 41.3711 178.3474 718 I 3.5673 7.7660 120.4145 64.1776 36.8586 178.1127 719 A 4.0456 8.0061 120.8513 54.5286 18.1883 178.8092 720 S 4.6600 7.6069 109.2802 58.3129 65.2552 174.3777 721 H 4.7526 7.5929 119.1049 52.9574 28.6328 170.0533 722 P 4.2573 0.0000 0.0000 61.2373 32.1088 175.0676 723 P 4.1023 0.0000 0.0000 62.9752 32.0688 175.0314 *728 Y 4.4310 8.1646 120.1011 57.6068 39.5396 174.0088 729 A 4.5291 7.2906 129.3828 48.3824 19.0177 172.3448 730 P 3.9484 0.0000 0.0000 63.1091 31.9587 177.6415 731 R 4.6727 8.2553 118.7556 53.5444 33.5053 171.2603 732 R 4.0403 8.4443 119.4592 58.3524 30.3359 177.1029 733 G 3.8843 9.0463 114.0489 45.0631 0.0000 173.1714 734 E 4.2731 7.6405 120.9073 55.6445 30.8845 176.2422 735 F 5.0537 8.7042 124.4186 58.2188 40.3700 173.6915 736 C 4.5861 9.2721 115.2325 57.9015 33.4300 172.2749 737 I 5.1333 8.3024 111.9686 59.5168 39.9181 174.7062 738 A 5.4083 9.3546 125.0772 50.3469 22.7701 175.0795 739 K 4.0280 8.2709 124.0431 54.9361 32.7148 176.5707 740 F 4.9214 9.1200 131.3037 57.4158 40.4214 176.0130 741 V 3.5357 5.7428 113.9734 62.5149 31.2797 176.7708 742 D 4.4109 7.5148 118.5648 52.9267 39.6341 177.3024 743 G 3.7904 7.9343 107.8711 45.7524 0.0000 173.1960 744 E 4.6435 8.2383 119.1506 54.1771 32.2259 175.2536 745 W 5.0058 8.4815 122.2978 56.6218 30.3193 175.2030 746 Y 4.9825 9.3638 120.7127 55.9822 42.4914 174.7479 747 R 4.7374 8.8379 119.4692 56.5494 31.5349 175.8393 748 A 5.0076 9.3445 124.1633 50.6280 23.7817 174.4441 749 R 4.9208 8.7828 118.8619 54.3871 33.4005 174.7262 750 V 4.1298 8.8748 127.1214 63.2729 31.9161 175.9306 751 E 4.3718 9.2226 128.0338 57.7039 31.3888 176.8409 752 K 4.3879 7.7317 119.3434 55.2520 35.9367 174.9207 753 V 4.3489 8.4197 128.0419 61.6855 31.1395 174.7599 754 E 4.1334 9.2558 131.0032 58.4704 30.1001 176.3243 755 S 4.6005 7.4037 110.5858 57.0245 64.6418 175.0776 756 P 4.2026 0.0000 0.0000 65.1372 31.4350 178.1700 757 A 4.4165 7.9102 119.5073 52.7745 19.3779 176.3365 758 K 4.7665 8.0455 115.3442 54.1135 33.8062 173.3831 759 I 4.7828 9.1004 124.3072 59.6034 39.6776 174.2520 760 H 4.9306 9.6666 125.9782 55.4654 29.7867 175.1624 761 V 4.9580 9.0643 116.6675 59.3409 36.0578 174.3941 762 F 5.1027 8.7690 123.9959 56.6939 42.4130 173.5389 763 Y 4.6340 8.2665 125.0628 56.9536 37.7722 176.4186 764 I 3.5809 8.3175 120.2529 63.3101 38.4779 177.5810 765 D 4.6682 8.2473 120.2018 54.7803 41.3846 176.3305 766 Y 4.2378 7.8247 114.7196 57.0425 40.3949 176.7351 767 G 2.8992 8.4188 107.2441 44.2138 0.0000 173.0768 768 N 4.7358 7.4254 117.1073 52.5157 39.1552 174.2632 769 R 5.2659 8.3700 118.1201 54.9670 33.8064 174.6970 770 E 4.7921 8.8081 120.0818 55.2951 33.7538 173.7572 771 V 4.8705 8.3939 125.8078 61.1120 33.3032 174.5832 772 L 4.9626 8.9276 127.5290 53.4879 44.5464 174.1017 773 P 4.9276 0.0000 0.0000 61.2217 32.4796 177.3789 774 S 4.3749 8.3116 112.8654 60.9485 62.9308 176.4155 775 T 4.1687 7.9835 110.2778 63.7143 69.0197 174.8949 776 R 4.6477 8.1899 121.5230 55.8288 31.4044 175.2843 777 L 5.6624 8.1910 118.0472 53.4313 45.3394 175.8951 778 G 4.0254 8.7196 107.8292 45.0477 0.0000 171.9009 779 T 3.8930 8.0553 116.6588 63.0858 69.2691 174.5257 780 L 4.3488 8.2225 128.1368 53.7019 42.8192 176.3502 781 S 4.2731 8.7998 121.5098 57.5692 63.2923 173.0267 782 P 4.1519 0.0000 0.0000 65.5787 31.2102 178.4328 783 A 3.8030 7.3623 119.4764 53.9597 18.1440 177.8185 784 F 4.9963 7.5782 114.0313 56.7849 40.1065 176.0999 785 S 4.3369 7.7154 116.9892 57.8594 64.6564 174.2398 786 T 4.8374 7.6708 112.4928 63.2153 68.3710 176.6021 787 R 4.0025 7.5623 121.0331 58.9986 30.2104 178.5779 788 V 3.7676 7.4543 116.9343 64.2889 32.2202 175.9895 789 L 4.5990 7.5803 120.0226 52.5702 44.9989 173.7540 790 P 4.7946 0.0000 0.0000 61.3832 32.0240 175.7626 791 A 4.2276 8.4728 121.6286 53.4022 18.3093 177.8095 792 Q 4.2862 9.6276 120.7245 56.6613 30.2799 175.2587 793 A 5.1592 7.6709 121.5051 50.5892 20.8343 176.5462 794 T 4.4945 8.7476 118.9155 61.4282 71.7481 173.1161 795 E 3.7712 8.2820 127.0725 55.8493 30.5841 174.9405 796 Y 4.8383 8.0280 122.8256 56.2342 43.1193 173.5512 797 A 4.4526 7.8875 121.0177 49.6091 23.1726 175.3608 798 F 4.8782 8.6264 117.7287 57.2859 39.9531 175.8919 799 A 3.6734 8.9406 125.8889 52.4165 19.4481 177.9919 800 F 4.3066 8.7472 116.8723 57.6833 36.5658 174.4623 801 I 5.2634 7.3339 111.8472 59.2706 40.3198 174.8309 802 Q 4.5649 8.9095 123.5195 54.8962 30.0425 175.7413 803 V 3.9196 8.3684 123.6423 61.7650 32.3182 174.0995 804 P 4.3625 0.0000 0.0000 62.8739 31.7992 176.5064 805 Q 4.1154 8.6527 120.8981 58.7089 29.3461 176.9785 806 D 4.4127 7.9380 118.4320 53.7890 42.5270 176.1077 807 D 4.3624 8.7554 127.0324 57.8805 40.9745 178.7919 808 D 4.3287 8.1426 118.4973 57.1479 40.8957 178.5217 809 A 3.9175 8.4062 121.4324 55.0940 18.2898 179.6589 810 R 3.8464 8.2670 117.4916 59.8141 30.0730 178.7768 811 T 3.8676 8.1072 115.6425 66.7702 68.4764 176.1488 812 D 4.3283 8.2833 120.5026 57.2964 40.8457 178.8144 813 A 3.9352 7.9741 121.0606 55.1270 18.3613 179.6732 814 V 3.5783 8.0327 117.0236 66.4510 31.6129 177.8685 815 D 4.3660 8.4263 118.8191 57.3387 40.6440 178.6395 816 S 4.0722 8.1159 113.5319 61.6242 62.3665 176.5356 817 V 3.6321 7.7983 120.7784 65.7776 31.3437 178.0668 818 V 3.5811 8.1799 118.4016 66.2202 31.2127 178.1299 819 R 3.9494 7.7968 116.2125 59.3774 29.9779 178.2436 820 D 4.7101 7.9908 117.3993 55.6409 41.4291 177.3394 821 I 4.6734 8.1936 109.9539 58.9208 39.2615 175.2927 822 Q 3.8818 7.8644 122.6488 57.4361 29.3410 175.4449 823 N 3.8861 8.5254 122.0121 54.4320 36.8432 173.7993 824 T 4.8194 6.7875 105.5862 59.9163 73.2310 172.7764 825 Q 4.6981 8.7650 123.7853 55.8582 30.2473 174.3334 826 C 5.0709 9.3533 123.1767 58.0792 33.1494 172.3754 827 L 5.2906 8.7775 119.3744 53.2997 44.0851 175.9469 828 L 5.2894 8.9930 123.4852 53.4022 46.0190 174.5161 829 N 4.7568 8.8816 123.9073 51.3292 41.9436 173.3083 830 V 3.6341 8.2576 126.6682 63.3800 31.7033 174.8184 831 E 4.6246 8.8057 128.1815 58.2003 30.4896 176.0676 832 H 4.9231 7.4289 112.2872 54.5614 31.6551 173.0340 833 L 4.8197 8.5677 120.5837 54.5818 43.2008 175.3374 834 S 4.5030 8.1017 113.4379 57.4620 65.9429 175.0554 835 A 4.3599 8.3874 123.8705 48.4849 16.9107 178.2757 836 G 3.8013 7.2349 109.1593 45.1850 0.0000 169.8005 837 C 4.3694 7.9475 117.3390 56.6391 31.2477 171.5746 838 P 4.6136 0.0000 0.0000 63.0689 32.4441 174.9820 839 H 5.1496 8.9423 119.5111 54.3332 31.3508 174.3102 840 V 4.8130 8.5589 114.8683 59.8214 36.5241 174.1971 841 T 5.0493 8.6088 112.2128 60.2314 71.3012 173.4711 842 L 5.4261 8.6764 123.0296 53.2203 45.2678 175.1834 843 Q 5.0433 8.9305 120.6695 53.6860 32.4846 175.2078 844 F 4.5290 8.7219 121.6706 57.6924 39.6416 176.4414 845 A 3.9777 9.0428 126.5029 55.4011 17.8658 178.3530 846 D 4.5374 7.5421 114.8455 55.9087 40.1889 177.5974 847 S 4.1217 7.8574 118.0334 58.1793 63.6156 175.2297 848 K 3.9512 8.0772 118.4454 56.6509 30.3298 175.8610 849 G 3.7449 8.4054 109.8845 45.3299 0.0000 172.9202 850 D 4.7253 8.6436 123.0126 53.8469 42.2358 177.0698 851 V 3.3305 8.6544 127.9205 66.0327 31.7003 178.2175 852 G 3.2438 8.0016 104.9323 47.4930 0.0000 175.1315 853 L 3.2494 8.4317 123.0378 57.5432 42.0311 179.0343 854 G 3.7779 8.1460 105.8283 48.0619 0.0000 175.5202 855 L 3.9108 7.5231 120.7879 57.4696 41.6293 179.8176 856 V 3.7567 7.5472 118.0154 66.0054 31.2432 178.2278 857 K 3.9970 8.1308 117.5925 59.3087 31.9851 178.4327 858 E 4.2940 8.0601 116.3313 56.1453 29.7414 177.2949 859 G 4.0214 8.0603 107.7091 46.4541 0.0000 175.7525 860 L 3.9973 8.0399 121.6156 56.1460 42.0587 177.3347 861 V 4.5914 7.2644 109.3137 59.9198 35.9058 174.8279 862 M 4.9403 8.5030 121.4319 54.2358 34.4183 175.6478 863 V 4.4067 9.1173 121.6201 62.8748 32.8161 175.1332 864 E 4.6107 9.1679 128.9739 54.4561 30.9903 175.2566 865 V 3.9422 8.4437 127.3292 62.5449 32.4713 175.1699 866 R 4.8389 8.2773 123.8964 54.4698 33.5291 175.5854 867 K 4.2883 8.5182 117.8730 57.7857 33.2524 177.7688 868 E 3.8952 8.3295 118.3616 56.8733 29.9506 178.2920 869 K 4.0155 8.6241 122.9008 59.2881 31.9870 179.1301 870 Q 4.0985 7.7165 115.8627 57.8839 28.8517 177.1020 871 F 4.8875 7.4524 119.0880 57.8507 39.2933 177.4987 872 Q 3.9577 7.8970 119.7680 58.7717 28.5357 178.5874 873 K 3.9646 7.9436 119.2830 59.4533 32.1425 179.6768 874 V 3.6361 7.5840 118.9301 64.8466 31.3897 178.3071 875 I 3.3851 7.6172 120.6882 64.1042 36.7757 178.4861 876 T 3.8475 8.1798 117.0005 66.5771 68.3285 176.0451 877 E 3.9574 8.2549 121.1014 59.7074 29.5509 178.5363 878 Y 4.0247 8.5063 116.7385 61.1751 37.9407 178.6352 879 L 4.0208 8.5261 120.3540 57.6356 41.6561 179.1068 880 N 4.2511 8.5751 117.1844 56.6602 38.8806 176.7907 881 A 3.9581 8.0597 122.1548 55.0833 18.3522 179.3347 882 Q 3.9428 8.3610 118.3304 59.4103 29.1152 178.1887 883 E 3.7148 8.2345 120.2882 59.3352 29.5812 178.9547 884 S 4.0564 8.0829 115.0308 61.4428 62.8861 176.4348 885 A 4.0631 8.4009 123.9162 55.1760 18.2563 179.8855 886 K 3.7054 8.0513 117.1352 59.6815 31.8195 179.8848 887 S 4.1554 8.0502 114.2436 61.0358 62.8339 175.7342 888 A 4.1970 8.1226 121.1581 51.5081 19.8740 176.9683 889 R 3.9885 7.6478 116.1070 56.9748 28.3725 175.9525 890 L 4.7831 8.0715 117.2887 54.4684 45.4756 177.7751 891 N 3.9809 9.2524 120.1705 54.0821 37.7625 176.3106 892 L 3.5163 5.6200 125.3984 57.7810 42.3442 178.0967 893 W 5.3351 7.6045 116.1286 55.7544 29.3572 177.8792 894 R 4.2424 7.5129 120.0768 58.4891 29.3368 177.2915 895 Y 4.6865 7.3736 111.3260 57.5782 38.6146 174.1682 896 G 3.9227 7.8249 106.6665 44.2273 0.0000 174.2139 897 D 4.5407 8.4975 118.6407 54.5609 41.5897 176.0537 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 681 S 8.33 4.57 0.00 3.65 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 0.00 682 Y 8.58 4.44 0.00 2.93 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 0.00 683 K 8.74 4.87 0.00 1.82 1.90 0.00 1.33 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.38 7.81 684 P 0.00 5.00 0.00 2.20 2.28 0.00 3.68 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.04 0.00 685 V 9.29 4.99 2.26 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 0.74 0.00 0.00 1.03 0.00 0.00 686 F 9.32 5.13 0.00 3.13 2.98 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 0.00 687 V 8.02 4.29 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 0.81 0.00 0.00 0.77 0.00 0.00 688 T 8.99 4.38 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 1.50 0.00 0.00 689 E 8.14 4.88 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 2.31 2.31 0.00 690 I 8.56 5.16 1.96 0.00 0.00 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 1.46 0.91 1.05 0.00 0.00 691 T 9.01 4.62 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 1.41 0.00 0.00 692 D 8.89 4.52 0.00 2.72 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 0.00 693 D 8.07 4.73 0.00 2.53 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 0.00 694 L 7.61 3.75 0.00 1.88 1.86 1.09 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 695 H 7.87 5.01 0.00 3.03 2.96 0.00 5.72 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 696 F 7.93 5.37 0.00 3.16 3.05 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 0.00 0.00 0.00 697 Y 9.34 5.12 0.00 2.96 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 698 V 8.73 5.16 2.24 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 1.06 0.00 0.00 1.21 0.00 0.00 699 Q 9.03 5.44 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.00 0.00 0.00 0.00 0.00 0.00 2.36 2.13 0.00 700 D 8.64 4.74 0.00 2.81 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 701 V 8.54 3.71 2.26 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 0.94 0.00 0.00 1.04 0.00 0.00 702 E 8.54 4.09 0.00 2.35 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 2.34 2.33 0.00 703 T 7.28 5.19 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 1.22 0.00 0.00 704 G 8.18 3.66 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 0.00 0.00 0.00 705 T 7.85 3.88 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 0.00 706 Q 8.01 3.97 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.89 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 707 L 7.97 3.93 0.00 1.73 1.80 0.94 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 708 E 8.29 3.91 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.90 0.00 0.00 787 R 7.56 4.00 0.00 1.79 1.99 0.00 3.16 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 788 V 7.45 3.77 2.20 0.00 0.00 0.00 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 0.86 0.00 0.00 789 L 7.58 4.60 0.00 1.73 1.44 0.92 1.06 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 0.00 790 P 0.00 4.79 0.00 2.09 1.98 0.00 3.80 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 791 A 8.47 4.23 1.33 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 0.00 0.00 792 Q 9.63 4.29 0.00 1.82 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.74 0.00 0.00 0.00 0.00 0.00 2.54 2.39 0.00 793 A 7.67 5.16 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 0.00 794 T 8.75 4.49 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 0.42 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 0.88 0.00 0.00 1.10 0.00 0.00 804 P 0.00 4.36 0.00 2.15 1.93 0.00 3.75 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 805 Q 8.65 4.12 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 806 D 7.94 4.41 0.00 2.80 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 807 D 8.76 4.36 0.00 2.73 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 808 D 8.14 4.33 0.00 2.81 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.41 3.92 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 810 R 8.27 3.85 0.00 2.14 2.09 0.00 3.13 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 811 T 8.11 3.87 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 1.25 0.00 0.00 812 D 8.28 4.33 0.00 2.82 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 813 A 7.97 3.94 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 0.00 814 V 8.03 3.58 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 1.17 0.00 0.00 1.09 0.00 0.00 815 D 8.43 4.37 0.00 2.93 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 816 S 8.12 4.07 0.00 3.89 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 817 V 7.80 3.63 2.28 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 1.07 0.00 0.00 0.96 0.00 0.00 818 V 8.18 3.58 2.24 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 1.00 0.00 0.00 1.02 0.00 0.00 819 R 7.80 3.95 0.00 2.03 2.00 0.00 3.21 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 820 D 7.99 4.71 0.00 2.88 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 0.00 821 I 8.19 4.67 1.75 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 1.29 1.72 0.83 0.00 0.00 822 Q 7.86 3.88 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 823 N 8.53 3.89 0.00 2.93 3.03 0.00 0.00 6.77 7.06 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 0.00 824 T 6.79 4.82 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 1.31 0.00 0.00 825 Q 8.77 4.70 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.70 0.00 826 C 9.35 5.07 0.00 2.77 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 827 L 8.78 5.29 0.00 1.62 1.74 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 828 L 8.99 5.29 0.00 1.66 1.41 0.64 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 829 N 8.88 4.76 0.00 1.44 1.74 0.00 0.00 6.66 7.40 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 0.00 830 V 8.26 3.63 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 0.78 0.00 0.00 0.72 0.00 0.00 831 E 8.81 4.62 0.00 1.59 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.02 0.00 832 H 7.43 4.92 0.00 3.32 3.58 0.00 5.64 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 833 L 8.57 4.82 0.00 1.58 1.67 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 834 S 8.10 4.50 0.00 3.89 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 835 A 8.39 4.36 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 836 G 7.23 3.80 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 0.00 837 C 7.95 4.37 0.00 3.01 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 0.00 838 P 0.00 4.61 0.00 2.31 2.05 0.00 3.61 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 2.18 2.12 0.00 839 H 8.94 5.15 0.00 2.34 2.87 0.00 5.75 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 840 V 8.56 4.81 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 -0.08 0.00 0.00 0.83 0.00 0.00 841 T 8.61 5.05 4.53 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 1.52 0.00 0.00 842 L 8.68 5.43 0.00 1.57 1.47 0.20 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 843 Q 8.93 5.04 0.00 1.77 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.98 0.00 0.00 0.00 0.00 0.00 2.20 2.06 0.00 844 F 8.72 4.53 0.00 3.01 3.05 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 0.00 0.00 0.00 845 A 9.04 3.98 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 846 D 7.54 4.54 0.00 2.77 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.86 4.12 0.00 3.99 3.99 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 0.00 0.00 0.00 848 K 8.08 3.95 0.00 1.89 1.89 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.49 7.81 849 G 8.41 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 850 D 8.64 4.73 0.00 2.78 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 851 V 8.65 3.33 1.97 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 0.72 0.00 0.00 -0.05 0.00 0.00 852 G 8.00 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 0.00 0.00 0.00 853 L 8.43 3.25 0.00 1.36 1.67 0.43 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 854 G 8.15 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 0.00 855 L 7.52 3.91 0.00 1.75 1.60 0.48 0.54 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 0.00 856 V 7.55 3.76 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 1.13 0.00 0.00 0.98 0.00 0.00 857 K 8.13 4.00 0.00 1.85 1.84 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.54 7.81 858 E 8.06 4.29 0.00 2.16 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 2.32 2.44 0.00 859 G 8.06 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 860 L 8.04 4.00 0.00 1.70 1.67 0.88 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 861 V 7.26 4.59 2.27 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 0.68 0.00 0.00 0.93 0.00 0.00 862 M 8.50 4.94 0.00 2.18 2.10 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 2.70 2.96 0.00 863 V 9.12 4.41 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.12 0.00 0.00 864 E 9.17 4.61 0.00 2.18 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 2.26 2.33 0.00 865 V 8.44 3.94 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 0.88 0.00 0.00 0.97 0.00 0.00 866 R 8.28 4.84 0.00 1.98 2.17 0.00 2.95 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 867 K 8.52 4.29 0.00 1.76 1.87 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.47 7.81 868 E 8.33 3.90 0.00 1.86 1.62 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 0.00 2.20 2.35 0.00 869 K 8.62 4.02 0.00 1.77 1.79 0.00 1.69 0.00 0.00 1.84 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.52 7.81 870 Q 7.72 4.10 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 1.30 1.97 0.00 871 F 7.45 4.89 0.00 3.19 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 0.00 872 Q 7.90 3.96 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.81 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 873 K 7.94 3.96 0.00 1.76 1.86 0.00 1.68 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.44 7.81 874 V 7.58 3.64 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 0.17 0.00 0.00 0.86 0.00 0.00 875 I 7.62 3.39 1.81 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 1.07 -0.13 0.87 0.00 0.00 876 T 8.18 3.85 4.41 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 1.21 0.00 0.00 877 E 8.25 3.96 0.00 2.10 2.28 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 2.38 2.41 0.00 878 Y 8.51 4.02 0.00 3.11 3.05 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 0.00 0.00 0.00 879 L 8.53 4.02 0.00 1.82 1.73 0.93 0.50 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 0.00 880 N 8.58 4.25 0.00 2.94 2.96 0.00 0.00 7.06 9.06 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 0.00 881 A 8.06 3.96 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 0.00 882 Q 8.36 3.94 0.00 2.26 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.19 2.49 0.00 883 E 8.23 3.71 0.00 2.14 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 2.24 2.31 0.00 884 S 8.08 4.06 0.00 4.04 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 0.00 885 A 8.40 4.06 1.64 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 0.00 886 K 8.05 3.71 0.00 1.63 1.49 0.00 1.11 0.00 0.00 1.09 0.00 0.00 2.13 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.30 0.36 7.81 887 S 8.05 4.16 0.00 3.92 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 0.00 888 A 8.12 4.20 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 0.00 889 R 7.65 3.99 0.00 2.05 2.18 0.00 3.29 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.60 0.00 890 L 8.07 4.78 0.00 1.82 1.71 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 891 N 9.25 3.98 0.00 2.87 2.22 0.00 0.00 7.12 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 892 L 5.62 3.52 0.00 0.27 0.16 0.53 0.92 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 0.00 893 W 7.60 5.34 0.00 3.38 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 0.00 894 R 7.51 4.24 0.00 1.26 0.67 0.00 2.76 0.00 0.00 2.92 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.45 0.00 895 Y 7.37 4.69 0.00 3.05 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 896 G 7.82 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 897 D 8.50 4.54 0.00 2.44 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.