NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 696 G 3.8280 8.3544 109.7374 45.0810 0.0000 175.0816 697 E 4.1827 9.1987 122.0897 53.4743 31.0132 172.9707 698 A 4.1972 8.2895 129.9531 51.0813 20.1257 174.6431 699 P 4.2446 0.0000 0.0000 62.8897 31.8408 176.1001 700 N 4.6167 8.5466 119.8737 52.7982 38.1333 173.7054 701 Q 4.4667 8.3292 123.4292 55.2999 29.1720 176.1853 702 A 4.0173 7.7923 120.8210 52.4699 18.8334 177.7974 703 L 4.3386 8.2558 121.5029 53.5697 42.7855 176.0459 704 L 4.4151 8.3663 125.5115 53.5004 43.3632 175.0580 705 R 4.5440 8.4035 126.5045 55.1184 31.9004 174.4879 706 I 4.8867 8.3918 126.9369 59.7144 38.9605 174.7841 707 L 5.0297 9.0413 127.6807 52.4263 44.0480 176.9052 708 K 4.0359 9.4223 123.8249 56.3851 32.5761 177.7289 709 E 3.2407 8.9567 124.5294 59.1007 29.5295 178.4698 710 T 4.0720 7.5186 106.5203 62.9893 69.0664 175.1206 711 E 4.3546 8.1594 121.8583 57.4825 29.9538 175.9149 712 F 5.5330 7.1639 112.8637 55.0149 41.3650 173.9755 713 K 4.5788 8.7759 121.7440 55.0290 34.3154 176.3537 714 K 4.5619 8.6617 124.0056 57.0724 32.4060 176.7003 715 I 4.6956 7.9795 118.4149 61.1850 42.5081 175.3791 716 K 4.2704 7.8679 121.3221 55.9859 34.5318 173.1658 717 V 4.1625 8.4302 123.8203 61.8575 32.6704 175.4639 718 L 4.4849 8.7832 126.3983 56.0711 43.3342 177.0573 719 S 4.6411 7.2771 110.6202 57.1790 65.5500 173.2245 720 S 4.4516 7.2913 119.4918 57.5016 64.9553 173.1431 721 G 3.8001 8.7811 108.4872 47.5073 0.0000 174.6247 722 A 3.5592 8.9807 124.0924 53.5720 18.5895 177.7662 723 F 4.4868 9.4753 123.4009 60.2331 41.1197 173.7186 724 G 4.2446 7.4527 107.9238 45.1910 0.0000 170.8128 725 T 4.7699 8.1132 115.8367 61.6215 72.5186 173.4198 726 V 4.6173 8.8630 125.3405 61.4074 34.1811 173.9141 727 Y 5.1669 8.6226 125.3995 56.1271 40.8737 174.8880 728 K 4.6575 8.6744 123.7594 56.4710 33.9442 176.0780 729 G 4.6292 9.1703 113.0970 45.5292 0.0000 170.9366 730 L 5.4794 8.8209 118.8490 52.5000 45.2881 175.8809 731 W 5.4284 9.1987 132.4651 55.7593 33.5113 174.1247 732 I 4.7003 9.0977 128.7237 57.5484 38.1953 173.8149 733 P 4.1245 0.0000 0.0000 63.6773 32.9145 177.5955 734 E 2.9846 8.5221 116.9715 55.6767 32.3995 178.0432 735 G 4.0240 8.9228 111.3961 43.1325 0.0000 172.3414 736 E 4.5074 7.7769 121.5922 54.2492 32.4707 175.4718 737 K 3.8180 8.1425 118.2287 57.3163 30.2529 174.9698 738 V 4.7208 7.2684 108.3045 59.3288 36.6905 175.1625 739 K 4.8513 8.9088 122.8140 54.6247 35.3980 175.0736 740 I 5.0179 8.5485 125.9619 57.8238 39.8627 173.4254 741 P 4.8776 0.0000 0.0000 62.8484 32.4191 175.9701 742 V 4.9677 8.9291 115.8924 59.9528 36.8720 173.6513 743 A 5.2402 8.8377 123.8408 50.3773 22.1264 175.9325 744 I 4.6790 8.5019 121.0925 59.6897 40.8317 174.7845 745 K 4.9535 9.5666 131.7139 54.8066 31.9693 172.6568 746 E 4.5381 8.6180 124.2333 54.0931 30.6916 175.0056 747 L 4.3803 8.7936 129.2413 54.7870 43.3729 175.9100 748 R 3.6381 7.8709 121.1347 55.2053 30.5992 176.0256 749 E 3.9066 9.0040 124.6343 59.2668 29.6611 177.4137 750 A 3.9267 7.9659 120.7692 53.4139 18.3209 177.1529 751 T 4.4955 8.2203 120.8597 63.1821 69.4028 175.1557 752 S 4.1222 8.3468 117.0822 59.1629 63.3152 173.7602 753 P 4.1001 0.0000 0.0000 64.7634 31.0649 177.7683 754 K 3.8409 8.0996 117.4683 59.6824 32.3820 178.1470 755 A 4.7318 8.3362 122.4401 54.9113 17.9671 179.2127 756 N 4.2909 8.2150 114.5598 56.5331 38.4818 177.3548 757 K 4.0235 8.0386 120.2678 59.1629 32.1303 178.7909 758 E 4.0373 8.0877 119.1658 59.1624 29.5189 178.8577 759 I 3.8234 7.7275 118.2076 63.8612 38.0453 177.7533 760 L 4.1222 7.7861 119.6712 57.4382 41.4200 179.0141 761 D 4.3863 7.9334 119.2576 57.3148 40.7448 178.5015 762 E 4.0300 8.0949 118.3120 59.5429 29.5673 179.2361 763 A 4.0130 8.1184 120.6233 55.3150 18.1728 179.0047 764 Y 3.8575 8.1276 117.2562 60.8319 39.3262 178.2948 765 V 3.7037 8.0765 119.1062 66.3987 31.2039 177.9982 766 M 3.7904 8.4595 118.6038 58.0125 31.5249 178.5845 767 A 4.0083 8.3016 120.5922 54.5279 18.5684 178.8003 768 S 4.3386 7.3175 110.7577 57.8713 63.6270 174.3719 769 V 4.5124 6.5453 114.2052 59.7362 33.7389 175.7328 770 D 4.3072 9.0756 123.5069 53.7889 42.3182 173.8330 771 N 4.4954 7.9098 123.1664 51.2996 41.6823 173.5706 772 P 4.2635 0.0000 0.0000 65.2644 31.7051 176.7498 773 H 5.0028 8.6222 115.2984 55.1620 29.2496 173.2706 774 V 4.9661 7.5291 118.5057 60.9112 34.2650 175.0237 775 C 4.1770 9.1219 125.6207 60.4529 29.0538 173.4563 776 R 4.2076 8.5269 123.5932 55.2678 30.8929 174.9140 777 L 4.2888 8.4281 129.7171 55.2615 42.0543 176.3398 778 L 4.2165 9.0309 127.4554 55.8886 42.8795 176.9193 779 G 3.9092 6.6010 103.2598 46.3545 0.0000 171.4213 780 I 5.0344 8.1012 112.8252 59.0551 41.0226 174.1019 781 C 5.0913 8.9070 124.0517 57.0871 33.8050 174.6923 782 L 4.5611 8.1584 129.4633 53.9489 40.6669 175.2197 783 T 4.4322 7.2346 108.9264 60.4298 71.8059 174.4436 784 S 4.2195 8.7578 116.2882 61.7410 62.8707 174.8601 785 T 4.6116 7.4808 111.3956 59.6535 70.0283 172.8767 786 V 4.0937 8.2650 126.5971 62.8433 32.2727 175.0844 787 Q 4.6704 9.1342 127.9458 54.7394 30.7179 174.3379 788 L 4.6624 8.3125 125.8498 53.6084 44.2472 174.9590 789 I 4.7306 8.2733 127.8370 59.9101 39.1466 174.8990 790 T 4.9353 8.6527 117.5689 59.0198 72.4047 173.2904 791 Q 4.2362 8.3825 123.9498 56.0262 29.4619 175.8516 792 L 3.9527 8.2679 129.1757 55.9096 42.8766 176.9697 793 M 4.5690 8.5670 126.1038 52.5090 31.8637 174.2375 794 P 4.0719 0.0000 0.0000 65.1841 31.7587 177.5509 795 F 4.4295 8.0155 114.2888 56.9011 39.5188 177.6117 796 G 3.8791 8.2547 111.3884 45.4239 0.0000 172.8544 797 C 4.6975 8.2769 114.0694 57.7507 32.0344 174.2262 798 L 3.7821 8.7776 124.8377 57.9598 41.5923 179.3374 799 L 3.9815 7.7452 120.0889 58.3981 42.0840 178.8178 800 D 4.4535 8.0797 118.2404 57.1838 40.7875 178.0607 801 Y 4.0583 7.9094 120.1312 60.7228 38.7323 178.0830 802 V 3.8604 8.2279 113.6104 64.5789 31.4623 178.6230 803 R 4.1097 7.8405 116.8259 59.4223 29.9907 178.3051 804 E 4.1087 8.0384 117.8360 58.0431 29.9024 176.8108 805 H 4.7683 7.3180 114.1846 56.3062 29.9196 177.3961 806 K 4.2461 7.7745 121.8690 59.3883 31.5826 177.4218 807 D 4.5464 7.7255 114.6913 54.7503 41.1058 176.4947 808 N 4.8034 8.4204 115.6312 52.6759 39.7704 174.1811 809 I 4.1055 7.3771 119.6702 60.0388 37.6952 176.5326 810 G 4.1388 8.5104 114.0432 42.5077 0.0000 173.5618 811 S 4.1390 8.5220 115.4044 61.7170 62.6200 176.6572 812 Q 3.8492 8.0757 122.3030 59.2039 28.7162 177.9736 813 Y 3.2560 7.7714 117.0681 60.5742 38.0236 177.7764 814 L 3.7338 7.4123 119.8630 57.8501 41.7169 179.7174 815 L 4.0780 7.7391 118.5971 57.6228 41.6590 179.0151 816 N 4.2498 7.8998 116.4375 56.2217 38.3832 177.3663 817 W 4.4755 7.8806 120.2063 60.0975 29.1394 178.3029 818 C 3.9276 7.9391 116.1286 62.6559 27.3472 176.3509 819 V 3.6351 7.8959 119.7471 66.2346 31.1806 178.1703 820 Q 3.7307 8.2537 117.7923 58.9652 28.5166 178.8511 821 I 3.8080 8.1974 120.9167 64.2477 37.1283 178.3620 822 A 3.9331 8.2685 121.7929 54.9428 18.1694 179.8788 823 K 4.0421 8.4137 117.3925 59.5338 32.1451 179.7037 824 G 3.7286 8.1388 105.9569 48.3311 0.0000 175.6648 825 M 3.8908 8.0090 121.1865 57.7304 31.6915 178.4198 826 N 4.3869 8.0689 117.4798 56.5865 39.1534 176.4074 827 Y 4.0226 8.1164 121.1704 60.6082 38.8460 177.8471 828 L 3.9137 8.0466 119.9883 57.8149 41.7096 179.1019 829 E 3.6820 8.1838 119.1248 59.3705 29.3168 178.5488 830 D 4.3263 7.8514 117.9124 57.0945 40.8882 178.0515 831 R 4.2155 7.2866 115.5627 55.0849 30.3474 176.4743 832 R 4.0382 7.8005 116.9893 57.1048 28.3956 175.4172 833 L 4.9606 8.1172 117.3077 53.4243 43.2034 176.3484 834 V 4.5848 8.6845 123.0336 61.4774 33.5750 175.9477 835 H 4.1564 10.0386 127.9202 58.3267 29.9304 177.2109 836 R 4.2992 8.8116 114.3796 56.7586 28.5080 175.9386 837 D 4.7567 7.8874 116.4729 52.9685 41.5644 175.0560 838 L 3.8285 8.1992 119.7418 54.7716 43.0156 175.2271 839 A 4.8883 8.0655 125.4176 52.2843 21.7917 176.7355 840 A 4.1567 8.7984 122.6825 54.6970 18.5854 180.4470 841 R 4.0247 7.8924 111.3639 58.5263 29.9427 176.7751 842 N 4.8680 7.9527 116.1370 52.9127 39.9870 174.2843 843 V 4.6971 7.6645 118.5638 61.1002 34.7357 174.3779 844 L 5.0568 9.1700 126.7896 52.9491 45.5785 175.6423 845 V 4.2218 8.1658 119.9557 61.2253 32.9936 176.1466 846 K 4.0732 8.9942 131.0700 59.1721 32.5326 176.7052 847 T 4.5052 7.3121 106.2619 59.6752 71.3038 172.4950 848 P 4.1197 0.0000 0.0000 64.8149 31.3444 177.4174 849 Q 4.4991 7.7655 114.2806 56.1013 29.1759 175.0392 850 H 4.9917 8.5722 119.8448 55.5246 32.4387 172.4056 851 V 4.9599 9.2431 119.2340 59.7450 34.6602 175.6623 852 K 4.8426 8.7870 120.4356 54.9190 36.9304 176.0147 853 I 4.2527 8.7573 125.2641 61.8682 38.3262 175.2068 854 T 4.6453 8.1037 120.9072 61.1259 70.7502 171.6400 855 D 4.1897 8.6335 120.2104 55.0108 38.4484 172.9779 856 F 4.4648 8.0475 117.7142 56.7806 39.5551 177.4579 857 G 3.9584 7.5682 108.7821 45.6065 0.0000 175.1898 858 L 4.4432 7.5917 114.8047 54.1237 45.9237 176.0612 859 A 4.5611 7.7262 121.6561 52.4001 19.0524 177.1354 860 K 4.6969 8.8586 118.9678 54.7442 37.7146 175.8114 861 L 4.7139 8.4228 121.1377 54.2433 43.2585 176.3408 862 L 3.7099 8.2374 124.6905 57.4736 41.9027 175.6683 863 G 4.2074 9.8861 119.1434 46.1745 0.0000 173.4668 864 A 3.9757 7.0722 121.9812 52.2490 18.7342 177.2591 865 E 4.5795 8.5931 118.4986 55.0468 32.6477 177.8935 866 E 3.3360 8.0071 119.9852 57.1468 29.2881 177.3098 *876 V 3.7449 8.6821 119.8008 61.8561 31.2115 172.1684 877 P 4.6483 0.0000 0.0000 61.8654 30.4651 177.2514 878 I 3.7903 8.3218 127.6409 64.8206 37.3999 178.4593 879 K 4.1789 8.3632 116.5542 57.5872 31.8934 177.2323 880 W 4.7311 8.2150 117.7571 56.5056 30.1971 175.3592 881 M 4.4431 7.7903 118.3559 53.3095 32.9399 176.1369 882 A 2.0000 7.8496 125.2846 51.1481 19.4939 178.3719 883 L 3.4736 6.8669 121.9716 58.0613 42.1919 179.4843 884 E 3.8102 7.7760 117.7702 58.8457 29.0317 178.8807 885 S 4.0674 7.5809 116.5170 59.7743 62.8811 176.4410 886 I 3.7893 7.2389 121.2270 63.2629 36.9584 177.2887 887 L 4.4038 7.2615 118.2059 55.9559 41.5041 176.9816 888 H 4.8748 7.6532 111.9417 54.3002 30.4612 173.6428 889 R 3.9773 7.7315 116.1147 55.7373 27.6762 176.0570 890 I 4.1333 6.7483 117.6455 60.5952 38.1952 175.1929 891 Y 4.6668 8.4543 121.5620 56.6071 40.7962 174.2958 892 T 4.7646 8.9949 118.9618 59.4565 71.2936 174.0269 893 H 4.4680 8.7311 119.3853 59.2694 28.3279 177.9379 894 Q 4.1312 8.2839 119.5310 58.3973 28.1862 178.4948 895 S 4.3732 8.0871 115.0152 61.0339 63.1880 176.2253 896 D 4.6642 8.2629 122.5275 57.2266 40.6639 178.5543 897 V 3.4708 7.8266 118.5996 65.5827 31.5585 177.5534 898 W 5.1783 8.0570 129.5310 60.4504 30.4893 178.1930 899 S 4.7869 8.4086 114.5000 61.5830 62.2883 175.8096 900 Y 4.3537 8.8601 122.9653 60.8568 38.4987 178.2637 901 G 3.6921 8.5208 106.4409 48.2043 0.0000 175.4655 902 V 3.8670 8.2752 120.7802 66.0312 31.6175 178.2726 903 T 4.3783 8.3466 115.4464 66.6555 68.2059 176.8497 904 V 3.4734 8.2370 120.6027 65.6497 31.4800 177.8117 905 W 4.1443 8.6257 128.2020 60.5872 30.5166 177.5629 906 E 4.0685 9.0686 118.9268 59.7123 28.9776 179.4929 907 L 4.0071 8.0063 118.7519 58.0887 41.4820 179.4301 908 M 3.8992 8.0674 117.9652 57.1395 31.8787 177.7635 909 T 4.1538 7.1459 108.4261 60.1646 69.3605 174.2534 910 F 3.7770 8.3938 117.8515 59.6447 37.1301 176.0690 911 G 4.2570 8.3581 106.6870 45.6256 0.0000 175.2023 912 S 4.3914 7.5718 114.8045 58.1902 63.3652 173.7678 913 K 4.6901 8.4822 122.0371 54.4290 33.1651 175.1047 914 P 3.6293 0.0000 0.0000 63.6267 32.2809 175.7110 915 Y 3.4941 7.5008 117.8462 58.3745 35.3807 171.0648 916 D 4.2831 8.2570 117.1392 56.1102 42.1874 176.1281 917 G 3.9865 8.7940 113.3112 46.0239 0.0000 171.5215 918 I 4.3619 7.3617 118.9117 59.4881 40.6851 173.5295 919 P 4.3205 0.0000 0.0000 62.2984 32.0445 177.0328 920 A 3.9055 8.8560 122.6980 56.0409 17.8570 180.3232 921 S 4.0842 7.9638 111.7816 61.7755 63.1765 176.3490 922 E 4.0584 8.2539 121.4134 58.9806 29.1933 179.0253 923 I 3.3533 7.3876 120.0192 64.6213 36.7340 178.3552 924 S 4.0634 7.9049 113.7020 60.8235 62.6862 176.0916 925 S 4.1011 8.6345 117.6591 61.5126 62.1964 176.2515 926 I 3.6404 7.2676 121.9324 64.3989 37.0695 177.9547 927 L 4.2087 7.9871 119.7107 57.5062 41.1351 179.1982 928 E 4.0063 7.5229 118.1536 58.8713 29.7392 178.2018 929 K 3.9503 8.5166 118.5960 58.1195 32.1944 177.8499 930 G 4.0283 7.6996 105.2987 44.7275 0.0000 173.4648 931 E 4.1128 7.4532 120.5614 56.4241 30.1162 175.6699 932 R 4.5753 7.9924 121.7923 54.2206 34.5765 174.7565 933 L 3.6288 7.1982 118.8273 54.1007 41.8614 175.7814 934 P 4.6423 0.0000 0.0000 61.7349 32.4263 175.7330 935 Q 2.9974 8.0872 120.5512 55.3615 29.0770 174.6189 936 P 4.3057 0.0000 0.0000 61.6797 32.1329 175.5571 937 P 4.1966 0.0000 0.0000 65.8540 31.4347 177.6989 938 I 4.1773 7.5791 108.7957 61.6052 38.0618 174.8709 939 C 4.6984 7.8899 120.7516 58.7298 28.9282 173.8551 940 T 4.1468 8.1812 115.0914 61.0905 69.3796 175.2093 941 I 3.8065 8.4303 122.0624 64.3649 37.5557 177.6811 942 D 4.3779 8.1567 118.6761 57.4484 41.0303 178.6516 943 V 3.6105 7.5240 117.3156 66.2406 31.7271 177.4289 944 Y 4.2656 8.0869 119.2607 60.9534 38.5311 177.7851 945 M 3.8685 8.1673 119.0802 58.1219 32.0171 178.3691 946 I 3.5516 7.2479 119.6668 64.2984 37.5966 177.6208 947 M 3.5285 7.6898 119.0436 58.3388 31.6997 178.9391 948 V 3.1492 6.8113 117.7708 65.5716 31.6236 178.1268 949 K 3.8197 7.6085 118.3016 59.5679 31.8853 178.6919 950 C 4.2927 7.4998 115.8258 60.9299 27.6612 174.8698 951 W 3.4721 6.9289 119.3478 55.9386 29.0938 175.6222 952 M 4.2201 7.7574 118.9526 55.4015 31.8496 176.2169 953 I 3.8352 8.8704 125.5041 64.6798 37.5279 176.0241 954 D 4.3925 8.1160 124.1707 53.8615 40.7549 175.8774 955 A 4.0784 8.9035 131.0373 55.6475 18.3161 178.8491 956 D 4.6210 8.0165 112.1500 56.0681 41.0459 177.2354 957 S 4.4248 8.3387 114.9900 59.3836 63.4012 174.9336 958 R 4.3209 7.4867 119.0520 54.9545 30.4254 174.7354 959 P 4.5145 0.0000 0.0000 62.5131 32.1211 176.5437 960 K 4.2006 8.7638 120.1015 55.4509 33.3225 178.1885 961 F 4.1111 8.5176 121.0770 61.1580 38.6417 178.4395 962 R 4.0037 8.0672 114.6567 59.0090 29.2858 178.6083 963 E 4.0035 8.3158 119.8565 59.0634 29.5888 178.7645 964 L 4.1448 7.8764 118.5634 57.8611 41.6435 179.5026 965 I 3.7841 8.0264 119.6614 64.4993 37.1064 178.2518 966 I 3.6538 7.4752 120.4135 64.5914 37.0230 178.2057 967 E 3.7848 8.6049 119.2845 59.6953 29.2762 179.7432 968 F 4.0124 8.3209 117.4960 60.2933 38.6643 177.8027 969 S 4.1125 7.9849 112.4978 61.1472 62.4401 175.9667 970 K 4.0818 7.9947 121.2903 59.7943 31.7971 179.2187 971 M 3.5596 7.7649 118.6102 58.1127 31.5696 178.5529 972 A 4.1700 8.0090 119.7377 54.4792 18.5973 179.3698 973 R 4.1524 7.5890 115.4967 57.8035 31.8547 176.6100 974 D 4.8296 8.0817 118.2089 51.8736 41.4879 173.7522 975 P 4.5652 0.0000 0.0000 65.5693 32.0794 179.4345 976 Q 4.1813 7.9381 116.5008 57.8955 28.9309 176.9034 977 R 3.8611 7.6155 116.5930 57.9176 30.3121 176.1516 978 Y 4.7387 7.6762 113.5386 58.1710 41.3378 175.4065 979 L 5.0598 8.3764 118.0963 52.7293 44.7649 176.8315 980 V 4.2839 8.9968 123.7146 61.3003 33.5604 174.2595 981 I 4.7671 8.0176 128.4890 58.9052 39.9775 175.1062 982 Q 3.9943 8.8189 124.5191 57.9983 28.8588 176.9116 983 G 3.8723 8.9748 110.7998 45.6897 0.0000 173.8177 984 D 4.3825 8.1554 120.9548 57.2142 41.0592 178.8832 985 E 4.0748 8.2427 114.7648 58.7611 29.2789 177.6922 986 R 4.5056 7.8887 116.4273 55.9786 30.5971 175.4223 987 M 4.3640 7.9625 121.1832 55.3023 32.8224 176.1982 *988 H 4.9716 8.5247 119.1060 52.4812 32.0063 169.7716 989 L 4.5742 8.3810 125.0139 52.9731 44.2343 177.8834 *1001 L 4.2745 8.4175 127.1675 54.0879 43.3914 174.0478 1002 M 4.9497 8.2873 121.6217 55.3381 40.6284 178.5517 1003 D 4.8189 9.3304 114.3593 53.6373 41.7848 180.6293 1004 E 4.8894 9.1988 122.0656 57.7217 31.5411 177.0210 1005 E 4.1334 9.1057 119.8257 60.6545 30.4647 175.4693 1006 D 4.8172 7.7292 119.6296 52.1274 38.3589 177.3120 1007 M 4.9067 7.6859 120.6826 54.8305 33.8664 177.8215 1008 D 4.4403 8.3972 121.5181 57.2387 41.1856 177.0350 1009 D 4.7046 7.8708 116.3154 53.9121 41.3170 175.9499 1010 V 4.2284 7.1533 119.4053 63.0589 31.9703 175.6310 1011 V 4.4923 8.6426 126.6633 60.9499 35.0113 174.1727 1012 D 4.4757 8.8749 126.9475 54.1069 42.2417 176.5846 1013 A 4.1922 8.9662 126.8236 55.6521 18.4939 179.7280 1014 D 4.6824 8.6317 114.4949 56.7135 40.9024 177.1587 1015 E 4.4616 8.1278 116.4732 56.0466 30.0653 175.5796 1016 Y 4.5067 8.2243 121.9184 56.0206 37.9843 174.3529 1017 L 4.5308 7.7241 125.7598 52.7855 43.7309 176.4561 1018 I 4.3726 7.7336 121.6971 58.3859 40.2744 173.8918 1019 P 4.3721 0.0000 0.0000 63.2451 30.8280 175.9999 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 696 G 8.35 3.83 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 0.00 0.00 0.00 697 E 9.20 4.18 0.00 2.00 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 2.24 2.45 0.00 698 A 8.29 4.20 1.25 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 0.00 0.00 699 P 0.00 4.24 0.00 2.19 2.08 0.00 3.76 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 700 N 8.55 4.62 0.00 2.72 2.83 0.00 0.00 7.00 7.08 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 0.00 701 Q 8.33 4.47 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 702 A 7.79 4.02 1.15 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 0.00 0.00 703 L 8.26 4.34 0.00 1.64 1.61 0.92 0.93 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 0.00 704 L 8.37 4.42 0.00 1.55 1.56 0.90 0.95 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 0.00 705 R 8.40 4.54 0.00 1.96 1.92 0.00 3.38 0.00 0.00 3.58 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 706 I 8.39 4.89 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.03 0.94 0.00 0.00 707 L 9.04 5.03 0.00 1.49 1.68 -0.15 0.69 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 0.00 708 K 9.42 4.04 0.00 2.05 1.75 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.45 7.81 709 E 8.96 3.24 0.00 1.88 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 2.17 1.92 0.00 710 T 7.52 4.07 4.18 0.00 0.00 0.00 0.00 0.00 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 0.00 711 E 8.16 4.35 0.00 2.64 2.61 0.00 0.00 0.00 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 2.38 0.00 712 F 7.16 5.53 0.00 3.20 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 0.00 713 K 8.78 4.58 0.00 1.88 1.97 0.00 1.31 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.42 7.81 714 K 8.66 4.56 0.00 1.45 1.47 0.00 1.12 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 1.21 1.38 7.81 715 I 7.98 4.70 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.66 0.94 0.00 0.00 716 K 7.87 4.27 0.00 1.79 1.65 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.27 1.27 7.81 717 V 8.43 4.16 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 0.71 0.00 0.00 0.88 0.00 0.00 718 L 8.78 4.48 0.00 1.69 1.64 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 719 S 7.28 4.64 0.00 3.76 3.58 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 0.00 720 S 7.29 4.45 0.00 3.90 3.69 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 0.00 721 G 8.78 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 0.00 722 A 8.98 3.56 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 723 F 9.48 4.49 0.00 3.02 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 724 G 7.45 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 0.00 725 T 8.11 4.77 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 726 V 8.86 4.62 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 0.96 0.00 0.00 0.90 0.00 0.00 727 Y 8.62 5.17 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 0.00 728 K 8.67 4.66 0.00 1.90 1.71 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.42 7.81 729 G 9.17 4.63 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 0.00 730 L 8.82 5.48 0.00 1.65 1.59 0.94 0.84 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 0.00 731 W 9.20 5.43 0.00 3.25 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 0.00 732 I 9.10 4.70 1.80 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.42 0.85 0.00 0.00 733 P 0.00 4.12 0.00 1.98 1.39 0.00 2.85 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.44 0.00 734 E 8.52 2.98 0.00 2.18 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 0.00 2.22 2.28 0.00 735 G 8.92 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 0.00 736 E 7.78 4.51 0.00 2.03 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 2.21 2.49 0.00 737 K 8.14 3.82 0.00 1.84 1.83 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.41 7.81 738 V 7.27 4.72 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 0.83 0.00 0.00 0.54 0.00 0.00 739 K 8.91 4.85 0.00 1.62 1.64 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.32 7.81 740 I 8.55 5.02 1.96 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.19 1.05 0.00 0.00 741 P 0.00 4.88 0.00 2.09 1.98 0.00 3.63 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 742 V 8.93 4.97 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 0.83 0.00 0.00 0.89 0.00 0.00 743 A 8.84 5.24 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 744 I 8.50 4.68 2.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.56 0.96 0.00 0.00 745 K 9.57 4.95 0.00 1.75 1.68 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.38 7.81 746 E 8.62 4.54 0.00 2.38 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 2.32 2.30 0.00 747 L 8.79 4.38 0.00 1.71 1.53 1.06 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 748 R 7.87 3.64 0.00 1.90 1.60 0.00 3.22 0.00 0.00 3.00 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 749 E 9.00 3.91 0.00 1.98 2.02 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 2.34 2.29 0.00 750 A 7.97 3.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 751 T 8.22 4.50 4.23 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 1.27 0.00 0.00 752 S 8.35 4.12 0.00 3.98 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 0.00 753 P 0.00 4.10 0.00 2.19 2.11 0.00 3.61 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 754 K 8.10 3.84 0.00 1.75 1.89 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.23 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.68 7.81 755 A 8.34 4.73 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 0.00 756 N 8.21 4.29 0.00 2.89 2.90 0.00 0.00 6.74 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 757 K 8.04 4.02 0.00 1.81 1.95 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.61 7.81 758 E 8.09 4.04 0.00 2.33 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 2.32 2.33 0.00 759 I 7.73 3.82 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.38 1.02 0.00 0.00 760 L 7.79 4.12 0.00 1.76 1.73 0.99 0.95 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 0.00 761 D 7.93 4.39 0.00 2.93 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 762 E 8.09 4.03 0.00 2.21 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 2.47 2.38 0.00 763 A 8.12 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.13 3.86 0.00 3.04 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 0.00 765 V 8.08 3.70 2.14 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 0.88 0.00 0.00 1.15 0.00 0.00 766 M 8.46 3.79 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.38 0.00 767 A 8.30 4.01 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 0.00 768 S 7.32 4.34 0.00 3.78 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 0.00 769 V 6.55 4.51 2.14 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 0.55 0.00 0.00 0.73 0.00 0.00 770 D 9.08 4.31 0.00 2.49 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 0.00 771 N 7.91 4.50 0.00 1.44 1.86 0.00 0.00 7.10 7.71 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 0.00 772 P 0.00 4.26 0.00 1.83 1.98 0.00 3.53 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.03 0.00 773 H 8.62 5.00 0.00 3.17 3.34 0.00 5.56 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 774 V 7.53 4.97 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 0.88 0.00 0.00 1.07 0.00 0.00 775 C 9.12 4.18 0.00 3.13 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 0.00 776 R 8.53 4.21 0.00 1.93 1.81 0.00 3.21 0.00 0.00 3.27 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 777 L 8.43 4.29 0.00 1.62 1.50 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 778 L 9.03 4.22 0.00 1.30 1.22 0.94 1.23 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 0.00 779 G 6.60 3.91 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 0.00 0.00 0.00 780 I 8.10 5.03 1.85 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.92 0.88 0.00 0.00 781 C 8.91 5.09 0.00 3.12 2.92 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 0.00 782 L 8.16 4.56 0.00 1.68 1.64 0.93 0.94 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 0.00 783 T 7.23 4.43 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 1.31 0.00 0.00 784 S 8.76 4.22 0.00 3.88 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 0.00 785 T 7.48 4.61 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 1.29 0.00 0.00 786 V 8.26 4.09 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 0.89 0.00 0.00 1.01 0.00 0.00 787 Q 9.13 4.67 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 788 L 8.31 4.66 0.00 1.79 1.50 0.91 0.74 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 0.00 789 I 8.27 4.73 1.49 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 -0.10 0.34 0.00 0.00 790 T 8.65 4.94 4.30 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 1.18 0.00 0.00 791 Q 8.38 4.24 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 792 L 8.27 3.95 0.00 1.70 1.57 0.91 1.34 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 0.00 793 M 8.57 4.57 0.00 2.17 1.96 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.66 0.00 794 P 0.00 4.07 0.00 1.56 1.90 0.00 3.91 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 2.02 2.07 0.00 795 F 8.02 4.43 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 0.00 796 G 8.25 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 0.00 0.00 0.00 797 C 8.28 4.70 0.00 3.13 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 0.00 798 L 8.78 3.78 0.00 1.52 1.71 -0.21 0.14 0.00 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0.00 1.94 1.92 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.68 7.81 824 G 8.14 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 0.00 0.00 0.00 825 M 8.01 3.89 0.00 0.51 1.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.67 0.00 826 N 8.07 4.39 0.00 2.99 2.99 0.00 0.00 6.78 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 0.00 827 Y 8.12 4.02 0.00 3.17 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.05 3.91 0.00 1.95 1.94 1.20 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 829 E 8.18 3.68 0.00 2.01 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 2.26 2.12 0.00 830 D 7.85 4.33 0.00 2.63 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 0.00 831 R 7.29 4.22 0.00 1.69 1.78 0.00 3.30 0.00 0.00 2.98 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.04 0.00 832 R 7.80 4.04 0.00 2.04 2.04 0.00 3.12 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 833 L 8.12 4.96 0.00 1.68 1.70 0.90 0.79 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 0.00 834 V 8.68 4.58 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.84 0.00 0.00 835 H 10.04 4.16 0.00 3.26 3.33 0.00 5.74 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 836 R 8.81 4.30 0.00 1.90 1.89 0.00 2.82 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.48 0.00 837 D 7.89 4.76 0.00 2.56 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.20 3.83 0.00 1.60 1.72 0.88 1.35 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 0.00 839 A 8.07 4.89 0.53 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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0.00 1.80 1.79 0.42 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 965 I 8.03 3.78 2.05 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.80 0.95 0.00 0.00 966 I 7.48 3.65 2.00 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 1.52 0.63 0.88 0.00 0.00 967 E 8.60 3.78 0.00 1.70 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 2.44 2.35 0.00 968 F 8.32 4.01 0.00 3.28 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 0.00 969 S 7.98 4.11 0.00 3.94 4.19 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 0.00 970 K 7.99 4.08 0.00 1.88 1.75 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.57 7.81 971 M 7.76 3.56 0.00 1.79 2.01 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.81 0.00 972 A 8.01 4.17 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 0.00 973 R 7.59 4.15 0.00 2.01 2.02 0.00 3.13 0.00 0.00 3.15 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 974 D 8.08 4.83 0.00 2.73 2.65 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 0.00 975 P 0.00 4.57 0.00 2.28 2.32 0.00 3.76 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 976 Q 7.94 4.18 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.10 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 977 R 7.62 3.86 0.00 1.64 1.60 0.00 3.11 0.00 0.00 2.80 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.27 0.00 978 Y 7.68 4.74 0.00 3.05 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 0.00 979 L 8.38 5.06 0.00 1.52 1.56 0.94 1.02 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 0.00 980 V 9.00 4.28 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 0.97 0.00 0.00 0.91 0.00 0.00 981 I 8.02 4.77 1.93 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.60 1.00 0.00 0.00 982 Q 8.82 3.99 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.10 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 983 G 8.97 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 0.00 0.00 0.00 984 D 8.16 4.38 0.00 2.99 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 0.00 985 E 8.24 4.07 0.00 2.11 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 2.28 2.30 0.00 986 R 7.89 4.51 0.00 1.81 1.96 0.00 3.15 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 987 M 7.96 4.36 0.00 2.22 2.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.45 0.00 *988 H 8.52 4.97 0.00 2.87 2.76 0.00 7.14 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 0.00 989 L 8.38 4.57 0.00 1.20 1.45 0.48 0.78 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 *1001 L 8.42 4.27 0.00 1.69 1.58 0.92 0.77 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 1002 M 8.29 4.95 0.00 1.98 1.67 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.10 0.00 1003 D 9.33 4.82 0.00 2.66 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 0.00 0.00 0.00 1004 E 9.20 4.89 0.00 1.91 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 2.19 2.26 0.00 1005 E 9.11 4.13 0.00 1.99 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 2.22 1.87 0.00 1006 D 7.73 4.82 0.00 2.69 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 1007 M 7.69 4.91 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.44 0.00 1008 D 8.40 4.44 0.00 2.64 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1009 D 7.87 4.70 0.00 2.70 2.63 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 1010 V 7.15 4.23 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 0.74 0.00 0.00 0.93 0.00 0.00 1011 V 8.64 4.49 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 0.97 0.00 0.00 1.00 0.00 0.00 1012 D 8.87 4.48 0.00 2.88 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 1013 A 8.97 4.19 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 1014 D 8.63 4.68 0.00 2.79 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 1015 E 8.13 4.46 0.00 2.10 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 2.27 2.27 0.00 1016 Y 8.22 4.51 0.00 2.86 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 1017 L 7.72 4.53 0.00 1.54 1.46 0.86 0.80 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 1018 I 7.73 4.37 1.80 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.96 0.91 0.00 0.00 1019 P 0.00 4.37 0.00 2.15 2.03 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 * Residues marked with a * may have inaccurate shift predictions.