NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 824 P 4.3527 0.0000 0.0000 62.7660 31.5985 175.6638 825 N 4.7661 8.2764 120.8844 50.8381 40.4377 171.8808 826 E 4.2241 10.1054 122.4857 56.7656 30.9659 176.8251 827 D 4.2919 8.2570 118.4646 54.5244 41.4795 177.0247 828 W 5.0260 7.6167 117.7520 54.1072 32.7537 174.5642 829 C 3.9864 8.8175 121.4143 59.8498 31.2165 174.8582 830 A 3.9725 8.1621 130.2571 54.4808 17.7597 177.8087 831 V 4.1914 7.3591 114.7433 64.6856 32.4205 176.2619 832 C 4.3548 7.9629 113.0106 58.2315 30.3901 174.2989 833 Q 3.9565 8.3232 118.2587 56.8313 26.6060 172.2429 834 N 5.2203 7.7361 117.0760 51.9296 41.9542 172.5532 835 G 4.4060 9.3012 109.8476 44.0532 0.0000 170.5917 836 G 3.6957 8.6859 105.3862 43.9215 0.0000 172.2540 837 E 4.0742 8.7254 120.2042 56.1320 29.7482 176.1830 838 L 4.9936 8.3259 125.7376 52.8388 45.1312 175.5328 839 L 4.6202 9.3694 125.4474 54.0654 43.4995 175.0625 840 C 4.9545 8.6578 124.4324 59.0521 29.2079 173.3600 841 C 5.1169 9.2055 124.3087 59.7772 32.0164 172.9553 842 E 4.7438 8.5645 118.9553 55.9704 30.5843 177.0892 843 K 4.4902 8.1171 116.7955 56.3793 33.9734 175.1480 844 C 4.9317 7.6990 111.7184 55.7379 32.6905 171.8681 845 P 4.5626 0.0000 0.0000 63.4070 31.6038 176.2692 846 K 4.4254 7.8737 119.5394 56.6277 33.5676 176.1296 847 V 5.1197 7.7438 120.5779 60.3295 35.1027 174.1988 848 F 5.1835 9.2306 119.7697 56.4255 44.0273 173.7367 849 H 4.5902 8.7943 117.5190 54.9498 30.1314 176.5509 850 L 3.6177 8.4385 120.6328 57.7724 41.5010 179.4085 851 S 4.3444 7.7709 109.9499 59.1453 63.6876 174.4737 852 C 4.1697 7.5362 118.0128 61.5976 28.5376 173.7996 853 H 4.0946 7.8718 118.0951 55.5319 30.0664 174.2254 854 V 4.0738 6.9826 122.8318 60.0225 33.2279 173.7771 855 P 4.4685 0.0000 0.0000 62.0903 32.2386 176.0768 856 T 4.0947 8.0958 115.9179 63.5972 68.8984 173.9970 857 L 4.5312 8.1263 126.2103 53.3130 42.9475 177.1983 858 T 4.0553 8.3720 113.1763 63.4576 69.3626 173.5681 859 N 4.8013 7.3040 117.5953 52.0120 42.7379 173.4992 860 F 4.1203 8.4552 118.6537 56.1287 39.7012 174.2403 861 P 4.4679 0.0000 0.0000 63.0388 31.5835 176.8062 862 S 4.3348 8.8734 118.3008 59.8121 63.3756 173.4318 863 G 4.4321 7.6110 108.7664 43.0707 0.0000 172.1748 864 E 4.4226 8.6785 116.8192 56.4211 30.2352 176.3278 865 W 5.0995 9.8472 131.2566 55.7718 34.3179 173.7932 866 I 4.4923 7.3419 126.5977 59.0488 39.8041 175.3329 867 C 3.3316 7.8731 120.7895 57.4005 30.4686 174.6238 868 T 3.8349 8.1978 116.6129 66.6958 67.8086 176.5661 869 F 4.4130 7.7034 118.7266 60.3521 39.0969 176.5528 870 C 4.4615 7.9539 114.1996 59.9011 28.8654 174.2938 871 R 3.9744 7.4757 121.5033 55.6319 30.0547 175.6396 872 D 4.3950 9.0610 125.0370 54.7074 41.7130 177.3594 873 L 4.1209 8.4651 126.0814 57.8718 42.1880 178.8847 874 S 4.2828 8.2084 113.7038 60.9975 63.0425 175.2815 875 K 4.4736 8.5398 121.1819 52.5586 32.3012 173.0387 876 P 4.3191 0.0000 0.0000 62.2229 31.5223 177.6060 877 E 4.0681 8.6309 121.4578 58.4530 29.8018 177.1673 878 V 4.4407 7.1210 109.7137 59.2446 35.6193 173.9383 879 E 4.3971 8.3909 121.9271 54.4810 31.5015 175.0051 880 Y 4.8954 7.9885 123.0448 57.0130 39.3606 175.0796 881 D 4.6005 9.2620 124.6081 57.9272 41.5341 178.2553 882 C 4.3459 7.8403 112.2651 58.3529 27.1297 172.4204 *890 E 4.2228 7.4826 122.8283 56.6459 31.5925 176.5112 891 K 4.2806 7.5714 117.1693 55.7204 33.8339 176.1722 892 K 3.9801 8.2595 120.3636 55.9299 32.4423 176.4313 893 K 4.0478 8.5072 125.3455 56.3617 31.2898 176.7802 894 T 3.8274 8.4569 121.1238 64.1187 68.4471 174.3197 895 E 4.3225 8.8326 125.9061 56.2428 30.6982 176.2476 896 G 4.6278 8.6876 107.1178 46.1870 0.0000 172.9439 897 L 4.5607 7.4905 119.3581 52.7158 44.6883 175.4525 898 V 4.2720 8.4832 125.9578 60.9465 32.5726 174.3029 899 K 4.7877 8.1792 125.2952 54.3223 36.0351 175.7502 900 L 4.2299 8.1626 120.8357 55.7231 42.2789 177.9056 901 T 4.0880 8.6338 112.6494 61.0616 69.9036 173.4690 902 P 4.2920 0.0000 0.0000 66.0242 31.3260 178.9747 903 I 3.7213 7.7643 117.9716 64.6911 37.1244 178.0873 904 D 4.6481 8.2043 119.1606 56.9785 40.6136 178.7688 905 K 4.0337 8.1910 120.6188 59.5206 32.2058 179.1684 906 R 4.2495 8.1452 119.8056 58.5089 29.8537 179.1597 907 K 4.0091 8.1738 118.5600 59.5411 32.0247 178.9691 908 C 3.8702 8.0529 119.0353 62.2807 30.7979 175.4181 909 E 3.9908 8.2945 120.3680 59.3452 28.9288 179.3694 910 R 3.7476 8.1338 118.7331 59.2252 30.1725 178.4968 911 L 4.1985 8.3494 119.1580 57.8972 41.5830 179.4798 912 L 4.3111 8.5673 119.2182 57.9903 41.6801 179.3717 913 L 4.0903 8.4389 120.6099 58.1498 41.6681 178.9577 914 F 4.7710 8.5096 117.0994 60.8952 39.2617 177.3365 915 L 4.5789 8.4628 118.5866 58.2573 41.2026 179.0780 916 Y 4.2406 8.7072 117.0420 61.3461 37.6612 178.0665 917 C 4.7099 8.5104 115.1238 60.2176 29.1140 173.4493 918 H 4.3740 8.1364 122.7822 55.2508 30.1636 175.5488 919 E 3.9763 8.7337 124.9392 59.9748 29.2111 177.7329 920 M 4.5372 8.2183 115.9066 55.5030 32.1340 176.7465 921 S 4.8475 8.3258 115.0605 58.9521 64.5983 175.9255 922 L 3.8504 8.3954 123.6513 58.3245 41.5669 178.7875 923 A 3.8171 7.7829 118.4587 54.0131 18.3676 177.6290 924 F 4.8357 8.0568 113.3556 57.1994 40.4473 177.5367 925 Q 3.8386 8.3092 121.5323 58.2130 28.6940 175.9655 926 D 5.5600 7.4937 113.9176 50.2784 44.1556 173.8867 927 P 4.3326 0.0000 0.0000 62.6695 31.8747 176.7947 928 V 3.4557 7.9919 120.7681 62.0430 31.9123 174.4083 929 P 4.4542 0.0000 0.0000 62.6358 31.7347 177.2390 930 L 4.2732 8.3395 120.0397 56.7120 41.7243 178.2834 931 T 4.1406 7.8139 107.9229 63.1249 69.4175 174.8798 932 V 4.5815 7.5249 115.6457 58.0459 32.3792 174.0658 933 P 4.3721 0.0000 0.0000 66.2422 31.2160 177.7007 934 D 4.4556 8.4168 117.1310 57.6085 40.9438 177.5303 935 Y 3.2964 8.2480 119.8957 60.8666 38.5251 177.5752 936 Y 4.1871 7.7780 113.6810 59.2389 38.0956 177.1371 937 K 4.3123 7.7526 118.9410 58.1826 32.9584 178.2322 938 I 4.2009 7.4704 119.1311 62.4815 37.5146 176.2359 939 I 3.9679 7.2390 122.1982 59.8702 36.5357 176.1073 940 K 4.2173 8.4286 125.6351 58.3815 32.5686 177.7623 941 N 5.0121 7.5568 115.2234 50.1609 39.2712 172.0228 942 P 4.4783 0.0000 0.0000 63.3916 32.3848 176.3781 943 M 4.6894 8.1748 117.1834 54.9269 34.9308 173.1441 944 D 4.7415 8.1282 122.5345 50.7950 42.8984 176.0419 945 L 3.8900 8.9243 120.4268 58.0180 41.3752 180.1777 946 S 4.4815 8.5246 115.4162 60.9638 62.8365 176.7471 947 T 3.9653 7.8985 119.6646 66.4445 68.1903 176.8907 948 I 3.8325 7.5633 122.6471 63.5880 37.0179 178.0123 949 K 3.9080 8.2075 120.5340 59.4991 31.9126 178.7124 950 K 3.9652 8.0800 119.6526 59.7146 31.9130 179.0044 951 R 3.7916 8.2953 118.6747 59.1081 29.6399 178.8570 952 L 4.3255 8.0849 119.6613 58.0523 42.2015 178.2749 953 Q 4.1615 7.7242 118.3717 56.9255 29.6930 175.7896 954 E 3.8885 8.0419 121.1168 56.4593 29.5817 176.3891 955 D 4.2258 8.4231 124.3494 58.9464 41.9201 177.3447 956 Y 4.1808 7.6585 121.7365 56.2909 37.4172 176.2295 957 S 4.1627 7.9461 117.3064 59.3512 63.5596 176.0314 958 M 4.2283 7.8667 122.5249 56.1503 31.5444 175.6289 959 Y 4.9013 7.3582 119.1791 56.9292 39.3198 176.1954 960 S 4.8542 9.0849 118.5740 58.2740 64.9449 174.0442 961 K 4.6487 7.8152 118.8121 53.6785 35.4213 174.6987 962 P 2.9700 0.0000 0.0000 65.7116 31.0747 178.5477 963 E 3.6841 7.8548 116.4186 59.5146 29.3234 179.2169 964 D 4.3607 7.9485 119.2262 57.2918 40.9793 178.6583 965 F 3.6594 7.1989 114.3634 59.1247 38.0223 177.7744 966 V 4.0994 7.4655 119.0146 65.9703 31.2897 177.7023 967 A 4.0239 8.0511 120.5653 55.4410 17.9629 179.4077 968 D 4.3168 7.4648 115.6003 57.2969 41.1619 178.7105 969 F 3.8892 7.9408 118.4454 60.5158 38.7808 177.9964 970 R 4.2001 8.3253 117.7348 58.9468 29.7391 178.8243 971 L 3.9633 7.8033 120.4885 57.8802 41.9677 179.1153 972 I 3.5347 7.1024 119.4033 64.4299 36.9873 178.4761 973 F 4.2700 7.1147 118.0041 60.3935 38.7712 177.4283 974 Q 4.0290 8.5577 119.7771 59.2988 28.8907 178.1316 975 N 4.3722 8.5843 117.9555 56.3254 38.6029 176.9331 976 C 4.3776 8.2857 119.9263 62.7032 31.5233 175.5959 977 A 4.1119 8.0893 121.0138 55.2181 18.0260 179.1244 978 E 4.1209 8.1714 116.3310 58.8876 29.6553 178.7146 979 F 4.2938 8.2619 119.9769 59.5734 40.1719 175.6106 980 N 4.6161 7.8402 115.1845 51.6694 39.8689 174.9770 981 E 4.1021 8.4053 120.4790 55.0602 30.5129 174.5735 982 P 4.3139 0.0000 0.0000 64.6513 31.4544 175.4723 983 D 4.9899 9.0887 117.4173 54.5302 40.0850 174.2562 984 S 4.4654 7.6742 112.6797 57.8893 65.1896 174.6752 985 E 3.9704 8.7514 122.2467 59.9135 29.2204 180.0484 986 V 3.6576 7.8153 117.2275 65.8377 31.6656 177.6033 987 A 4.1441 8.0256 120.3876 55.5235 18.3744 179.4166 988 N 4.3117 8.4697 114.6797 56.3217 38.5085 177.5465 989 A 4.2388 8.2777 122.4535 55.1119 18.4708 179.8508 990 G 3.5103 8.9515 104.6660 48.0277 0.0000 175.9508 991 I 3.6558 8.0358 122.5247 63.9803 37.1293 178.6902 992 K 3.9449 8.1949 119.3343 59.4727 31.9048 179.2448 993 L 3.9608 8.2936 120.9910 57.9399 41.9054 178.6107 994 E 2.5400 8.0836 119.7814 58.6928 29.4557 178.5534 995 N 4.2312 8.1102 116.6341 56.2577 38.5674 176.8251 996 Y 4.1271 7.9531 120.9859 60.5753 38.8616 177.5207 997 F 3.9749 8.5378 121.9741 61.5738 39.4677 176.8143 998 E 3.5901 8.2975 118.1329 59.5199 29.3652 179.4022 999 E 3.8630 7.8352 117.9468 59.1701 29.4501 179.3813 1000 L 3.6076 7.3916 119.1091 57.5186 41.6066 179.3196 1001 L 3.8648 7.6278 120.6099 57.8783 41.4006 179.1842 1002 K 3.9584 7.7622 118.6498 59.4148 31.7395 178.9201 1003 N 4.4361 7.7522 115.1775 55.3566 38.6314 176.8121 1004 L 4.2201 7.5786 118.9746 55.3596 43.4326 176.5255 1005 Y 4.6786 7.6772 115.4069 55.6128 38.4857 173.4474 1006 P 4.7708 0.0000 0.0000 62.4839 31.4038 177.1672 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 824 P 0.00 4.35 0.00 2.20 2.18 0.00 3.73 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 1.90 2.00 0.00 825 N 8.28 4.77 0.00 2.80 2.77 0.00 0.00 7.19 6.78 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 0.00 826 E 10.11 4.22 0.00 1.80 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 2.46 0.00 827 D 8.26 4.29 0.00 1.58 1.54 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 0.00 828 W 7.62 5.03 0.00 3.40 2.93 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 0.00 829 C 8.82 3.99 0.00 2.91 2.94 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 0.00 830 A 8.16 3.97 1.07 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 0.00 0.00 831 V 7.36 4.19 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 1.09 0.00 0.00 1.27 0.00 0.00 832 C 7.96 4.35 0.00 3.21 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 833 Q 8.32 3.96 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.69 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 834 N 7.74 5.22 0.00 2.68 2.81 0.00 0.00 7.02 7.78 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 0.00 835 G 9.30 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 0.00 0.00 0.00 0.00 836 G 8.69 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 837 E 8.73 4.07 0.00 2.02 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 2.23 2.30 0.00 838 L 8.33 4.99 0.00 1.49 1.48 0.84 0.63 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 0.00 839 L 9.37 4.62 0.00 1.52 1.39 0.83 -0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 840 C 8.66 4.95 0.00 2.99 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 0.00 841 C 9.21 5.12 0.00 3.49 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 0.00 842 E 8.56 4.74 0.00 2.22 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 2.33 2.41 0.00 843 K 8.12 4.49 0.00 1.72 1.85 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.31 7.81 844 C 7.70 4.93 0.00 3.07 2.94 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 0.00 845 P 0.00 4.56 0.00 2.26 2.35 0.00 3.74 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 2.09 2.01 0.00 846 K 7.87 4.43 0.00 1.98 1.52 0.00 1.95 0.00 0.00 2.14 0.00 0.00 2.75 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.53 1.50 7.81 847 V 7.74 5.12 2.04 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 0.79 0.00 0.00 0.91 0.00 0.00 848 F 9.23 5.18 0.00 2.75 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 849 H 8.79 4.59 0.00 3.15 3.17 0.00 5.83 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 0.00 850 L 8.44 3.62 0.00 1.42 1.66 -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 851 S 7.77 4.34 0.00 3.90 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 0.00 852 C 7.54 4.17 0.00 3.11 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 0.00 853 H 7.87 4.09 0.00 2.73 2.94 0.00 5.86 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 854 V 6.98 4.07 1.84 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 0.88 0.00 0.00 0.78 0.00 0.00 855 P 0.00 4.47 0.00 2.27 2.19 0.00 3.55 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 1.86 2.13 0.00 856 T 8.10 4.09 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 1.17 0.00 0.00 857 L 8.13 4.53 0.00 1.29 1.49 0.24 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 858 T 8.37 4.06 4.21 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 1.18 0.00 0.00 859 N 7.30 4.80 0.00 2.67 2.74 0.00 0.00 6.99 7.45 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 0.00 860 F 8.46 4.12 0.00 3.03 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 861 P 0.00 4.47 0.00 2.54 2.27 0.00 3.77 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.66 0.00 862 S 8.87 4.33 0.00 3.93 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 0.00 863 G 7.61 4.43 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 0.00 864 E 8.68 4.42 0.00 2.22 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 2.31 2.35 0.00 865 W 9.85 5.10 0.00 3.46 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 866 I 7.34 4.49 1.56 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 1.26 0.95 0.79 0.00 0.00 867 C 7.87 3.33 0.00 2.96 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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3.91 0.00 2.12 2.11 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.48 7.81 950 K 8.08 3.97 0.00 1.89 1.95 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.48 7.81 951 R 8.30 3.79 0.00 1.95 1.40 0.00 3.16 0.00 0.00 2.85 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.78 0.00 952 L 8.08 4.33 0.00 1.93 1.93 1.01 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 953 Q 7.72 4.16 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.51 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 954 E 8.04 3.89 0.00 2.23 1.84 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 2.32 2.37 0.00 955 D 8.42 4.23 0.00 2.75 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 0.00 956 Y 7.66 4.18 0.00 2.95 2.88 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 0.00 957 S 7.95 4.16 0.00 3.85 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 958 M 7.87 4.23 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.93 0.00 959 Y 7.36 4.90 0.00 3.20 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 0.00 960 S 9.08 4.85 0.00 4.12 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 0.00 961 K 7.82 4.65 0.00 1.84 1.88 0.00 1.47 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.61 1.36 7.81 962 P 0.00 2.97 0.00 1.59 1.46 0.00 3.48 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.30 0.00 963 E 7.85 3.68 0.00 1.91 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 2.30 2.32 0.00 964 D 7.95 4.36 0.00 2.92 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 0.00 965 F 7.20 3.66 0.00 2.63 1.76 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 0.00 966 V 7.47 4.10 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 1.24 0.00 0.00 0.85 0.00 0.00 967 A 8.05 4.02 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 0.00 968 D 7.46 4.32 0.00 2.85 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 0.00 969 F 7.94 3.89 0.00 3.02 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 0.00 0.00 0.00 970 R 8.33 4.20 0.00 1.93 2.09 0.00 3.25 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.02 0.00 971 L 7.80 3.96 0.00 1.89 1.81 0.98 1.07 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 0.00 972 I 7.10 3.53 1.14 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.30 0.52 0.00 0.00 973 F 7.11 4.27 0.00 3.06 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 0.00 974 Q 8.56 4.03 0.00 2.23 2.27 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 2.38 2.43 0.00 975 N 8.58 4.37 0.00 3.04 2.99 0.00 0.00 6.68 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 C 8.29 4.38 0.00 3.34 3.25 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 0.00 977 A 8.09 4.11 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 978 E 8.17 4.12 0.00 2.22 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 2.35 2.33 0.00 979 F 8.26 4.29 0.00 2.98 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 980 N 7.84 4.62 0.00 3.01 2.80 0.00 0.00 7.10 7.01 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 0.00 981 E 8.41 4.10 0.00 2.11 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 2.33 2.28 0.00 982 P 0.00 4.31 0.00 2.20 2.13 0.00 3.89 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 983 D 9.09 4.99 0.00 2.81 2.79 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 0.00 0.00 0.00 984 S 7.67 4.47 0.00 4.15 4.05 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 0.00 985 E 8.75 3.97 0.00 2.02 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 2.42 2.34 0.00 986 V 7.82 3.66 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 1.10 0.00 0.00 0.91 0.00 0.00 987 A 8.03 4.14 1.47 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 0.00 0.00 988 N 8.47 4.31 0.00 2.95 2.92 0.00 0.00 6.95 7.76 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 0.00 989 A 8.28 4.24 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 990 G 8.95 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 991 I 8.04 3.66 2.01 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 1.83 0.86 0.89 0.00 0.00 992 K 8.19 3.94 0.00 1.98 1.89 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.60 1.63 7.81 993 L 8.29 3.96 0.00 1.93 1.69 1.03 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 994 E 8.08 2.54 0.00 1.16 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 1.95 1.58 0.00 995 N 8.11 4.23 0.00 2.90 2.83 0.00 0.00 6.67 7.01 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 0.00 996 Y 7.95 4.13 0.00 3.04 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 0.00 997 F 8.54 3.97 0.00 3.24 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 0.00 998 E 8.30 3.59 0.00 1.89 1.88 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 2.54 2.47 0.00 999 E 7.84 3.86 0.00 1.96 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 1000 L 7.39 3.61 0.00 1.41 1.33 0.46 -0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 1001 L 7.63 3.86 0.00 1.02 1.44 0.93 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 1002 K 7.76 3.96 0.00 1.95 1.76 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.51 7.81 1003 N 7.75 4.44 0.00 2.69 2.77 0.00 0.00 7.04 7.14 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 1004 L 7.58 4.22 0.00 1.63 1.37 1.02 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 1005 Y 7.68 4.68 0.00 3.08 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1006 P 0.00 4.77 0.00 2.16 2.00 0.00 3.34 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.88 0.00 * Residues marked with a * may have inaccurate shift predictions.