NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 656 G 3.8636 8.3549 109.7373 44.2944 0.0000 173.3575 657 P 4.0119 0.0000 0.0000 60.9340 31.5247 174.5537 658 L 4.2756 8.6080 124.6278 55.4866 42.2897 176.5957 659 G 4.0815 8.3490 109.4937 45.3637 0.0000 173.8275 660 S 4.4768 7.8061 113.0180 55.9856 65.5086 173.0626 661 A 4.1371 8.9165 130.9444 55.5254 18.8459 177.8418 662 R 4.1806 7.3477 115.3829 56.8882 28.2764 176.8990 *665 Q 4.2666 7.9064 118.6315 55.9690 31.0130 178.1895 666 F 4.1059 8.1266 115.7376 58.9880 38.6711 174.8192 *668 D 4.4415 8.0370 116.7796 53.7571 42.4070 177.5862 *670 L 3.8742 7.9269 120.6879 54.6312 43.7949 179.2015 671 L 4.1649 7.6162 119.5802 57.9365 42.3574 178.5520 672 E 4.0595 8.1937 116.9762 58.8419 29.4285 177.8388 673 R 4.3006 7.9215 115.3341 55.4038 30.4788 176.2126 674 G 3.9055 7.8646 105.8679 46.2873 0.0000 174.5457 675 V 3.8525 7.7360 119.3937 62.6302 32.0682 175.3371 676 S 4.5430 9.4090 122.0362 57.7387 63.0576 173.5349 677 A 4.2830 8.3653 128.3954 52.2569 18.6486 177.2048 678 F 4.9616 7.9478 115.5356 56.7960 40.0848 174.2587 679 S 4.6258 7.8953 114.0672 58.3080 64.9097 172.6322 680 T 4.9280 8.2148 116.0194 61.3253 71.2623 174.3407 681 W 3.9754 9.1056 134.0517 60.8565 30.7284 179.9081 682 E 4.0946 8.2388 114.5400 56.7804 28.1797 177.8989 *684 E 4.1600 8.1512 118.1088 55.6265 31.8728 176.7485 685 L 3.3817 7.2388 121.5619 58.0362 42.3253 178.9877 686 H 4.7081 7.6945 115.2310 54.9297 27.1995 175.8141 *688 I 3.7014 7.6697 113.5498 61.3802 39.6563 178.1342 689 V 2.3727 7.1052 120.2502 64.0237 31.0520 177.4300 690 F 4.2794 7.7371 113.6088 58.1407 38.4214 174.7633 691 D 4.2107 7.0959 123.4300 52.8351 41.6487 174.7735 692 P 4.2782 0.0000 0.0000 66.2218 31.3399 178.7911 693 R 4.0090 8.5489 116.2491 58.8249 29.6654 178.0737 694 Y 4.4137 8.0582 119.4864 60.6624 38.7316 177.4491 695 L 4.3717 7.9852 117.2763 55.3493 42.1308 177.3229 696 L 4.3578 7.7657 118.3884 55.3242 42.1426 176.6410 697 L 4.8062 7.1669 117.6875 52.5055 45.5365 175.7989 698 N 4.5849 8.6178 119.2045 51.3388 38.3247 174.0783 699 P 4.0843 0.0000 0.0000 63.5125 31.9805 177.5302 *701 E 4.2197 8.3590 119.3870 56.6709 31.2285 178.5222 702 R 3.1850 7.5089 115.4682 57.4021 30.7742 178.2851 *704 Q 4.1972 8.1998 118.1770 56.1061 30.7462 177.9075 705 V 3.6882 7.8322 116.9971 65.7338 31.3774 177.5568 706 F 4.3376 8.6080 120.6614 61.7297 39.0617 176.5914 707 D 4.3313 8.3301 116.6255 57.7602 40.7374 178.5247 708 Q 4.0728 8.0269 118.6159 59.1393 29.2207 177.2693 709 Y 4.2041 7.9528 120.8761 60.3328 38.7374 177.9464 710 V 3.5426 7.7420 116.4209 63.8147 31.2726 177.5536 *712 T 4.1737 7.8269 115.3488 63.2260 70.5477 176.5903 713 R 3.7136 7.7627 120.2176 58.8543 29.8446 179.0457 714 A 3.7176 7.7743 120.7653 55.0353 18.3872 179.3012 715 E 3.8868 7.9591 117.3561 59.5545 29.8104 178.7275 716 E 4.0395 8.3117 118.3830 58.7259 29.2025 179.0499 717 E 3.9401 7.7154 118.6323 59.2768 29.9306 178.4690 718 R 4.0945 7.8910 116.6185 59.4705 30.2716 178.8098 719 R 4.0747 7.8949 116.9478 58.7620 31.4373 177.9731 720 E 4.3084 7.6756 118.8456 55.8747 25.4373 176.6054 *723 N 4.5136 7.6702 113.6006 53.3252 40.4376 175.5662 *725 I 3.9358 7.6115 116.3589 61.3631 38.9082 177.4972 *727 Q 4.1188 8.0732 123.4105 56.2823 30.7044 176.6868 728 A 4.5258 7.4244 118.9160 52.7482 17.9878 178.9775 *730 E 4.3438 8.2842 120.3924 58.2638 31.5467 177.4236 731 D 4.4023 8.4694 117.4627 57.3364 40.8396 176.0515 732 F 3.9818 7.8686 124.3651 58.6850 38.2069 174.5403 *737 E 4.2985 8.3563 125.2059 55.5871 31.2245 176.8644 738 E 4.2948 8.1643 116.8104 56.9138 31.7430 176.7515 739 A 4.1260 8.3546 118.7392 52.1876 19.0777 176.9518 *741 F 4.9281 8.8152 120.4486 53.2976 42.1077 172.5522 742 N 4.0559 7.9492 115.5795 53.8322 37.0561 174.1419 743 P 3.6291 0.0000 0.0000 65.9441 32.0069 178.4884 744 R 3.8849 7.8031 115.6147 59.1321 30.1060 176.8129 745 A 4.3148 8.3347 120.1101 53.0607 19.0643 177.2330 746 T 4.6305 8.4472 113.7914 60.6988 70.2329 175.9659 747 F 3.7685 8.7361 127.6984 61.3455 39.6272 177.6963 748 S 4.0356 8.1027 113.3650 61.1614 62.5400 176.3332 749 E 3.8163 7.9023 121.1794 59.1643 29.4462 178.3562 750 F 3.9557 7.8926 119.2151 61.2178 39.4960 176.6624 751 A 3.3856 7.9932 120.3212 54.5397 17.7363 179.1232 752 A 4.2945 6.9896 116.6611 52.9413 18.5218 177.8226 *754 H 4.2634 7.9708 114.9408 56.8165 30.0909 174.6085 755 A 3.8947 6.9160 120.0461 52.4508 17.5081 177.5743 *757 D 4.4043 8.0071 118.2120 55.5096 42.1229 176.6633 758 S 4.2719 8.6719 120.3311 61.1410 63.5502 175.8250 759 R 4.1025 8.4671 119.9356 58.8988 29.8752 177.1710 760 F 4.5628 8.2188 119.0312 58.7499 38.9772 176.5051 *762 A 4.3279 7.9733 123.5217 51.5886 20.1192 178.0540 763 I 3.9905 7.3303 115.7782 60.5822 37.2833 175.8143 764 E 3.9015 8.7960 127.2041 59.1531 29.8821 177.3215 *768 D 4.5813 8.0139 117.4050 54.2303 43.1999 177.7861 769 R 3.7457 7.9331 117.7166 59.3006 30.0382 178.4725 770 E 3.7137 7.9205 118.2718 58.9191 29.4463 178.5080 771 A 3.8911 7.7172 120.2918 55.0344 18.5412 179.1806 772 L 3.3804 7.7005 117.5384 57.8064 41.7751 179.3004 773 F 4.3466 8.6001 120.7029 61.7541 39.2642 176.7975 774 N 4.0001 8.8434 116.4822 56.4008 38.3577 177.0927 775 E 3.8539 8.1833 120.6952 59.0176 29.5648 178.8741 776 F 4.4751 8.0094 118.0497 60.4096 38.9799 177.5748 777 V 3.8006 7.6652 117.4102 66.3535 31.0902 177.9576 778 A 4.0367 7.7864 118.5655 55.0298 18.2073 178.9615 779 A 4.1720 7.9820 118.1486 54.4246 18.7853 179.5019 780 A 4.0436 8.0266 119.2120 54.6766 19.9291 179.1234 781 R 4.3368 8.3090 117.5578 56.7212 27.1583 176.5224 *784 E 4.1579 7.7816 117.6946 56.1461 31.5555 177.7799 *786 E 4.5563 8.1407 119.9447 56.3895 31.8492 177.1085 787 D 4.5559 7.9457 118.4463 56.9323 41.3282 178.6998 788 S 4.3101 8.3756 115.0321 58.5754 62.6881 175.8525 *790 T 4.2856 7.8708 111.3662 62.6733 70.6464 175.2103 791 R 4.0540 8.0349 121.3264 59.1147 30.4165 178.0988 792 G 3.8160 7.7338 105.7868 48.9102 0.0000 176.8951 793 E 3.9838 7.9378 117.5084 56.2567 28.8096 177.8545 *795 I 3.9294 7.8238 117.4220 61.4041 39.1425 177.2511 *797 S 4.3622 7.9634 116.5585 58.4907 63.9827 175.5192 798 D 4.4075 8.0744 119.4784 57.2994 40.4660 178.4074 799 F 4.0988 8.2966 121.0245 61.2787 39.3884 176.9996 800 F 4.1768 8.1011 116.8421 60.6927 38.5716 176.7174 801 E 3.9109 8.0819 117.3703 59.4655 29.5916 178.3924 802 L 4.0666 8.0997 120.0981 58.3047 42.0721 178.8762 803 L 3.9524 7.7367 119.0517 57.8044 41.3075 179.5166 804 S 4.4873 8.1980 114.5071 60.6893 62.6813 175.7684 805 N 4.4790 7.9947 118.2721 53.7729 38.8691 174.4838 806 H 4.8805 8.1022 118.0615 54.0958 31.1596 174.9010 807 H 4.5977 8.5793 120.2259 55.0421 27.0907 174.1664 808 L 4.9116 8.0605 122.8474 52.9437 44.0907 176.3897 809 D 4.5524 8.3884 120.5986 52.6632 41.4431 174.8830 810 S 4.1756 8.6940 111.4717 61.4840 62.2994 175.9434 811 Q 4.0576 8.0599 119.5059 58.3181 28.8897 176.0686 812 S 4.0483 7.2191 112.7250 56.9421 64.7064 173.8247 813 R 4.8885 8.3479 122.0843 53.9592 32.1486 176.1760 814 W 3.6337 9.0643 131.9781 60.4613 30.7697 177.3387 815 S 3.8537 8.1456 110.7293 60.2627 62.3293 174.6158 *817 V 3.6505 7.4549 118.7897 62.8557 32.3857 175.0158 *819 D 4.1201 7.9522 113.4553 54.0479 42.2556 177.0780 *821 V 3.9618 7.6177 110.7962 60.6437 33.5077 177.3435 822 E 2.5400 7.6181 117.4451 57.3630 29.4993 177.6970 823 S 4.3369 7.4845 114.8410 59.8494 63.8872 174.2522 824 D 4.5002 7.6522 119.6099 53.8046 41.3483 175.3594 825 P 4.4794 0.0000 0.0000 64.6506 31.6412 177.6770 826 R 4.3001 7.9873 116.0471 57.8652 30.5835 176.2945 827 Y 4.6598 7.8408 119.0295 58.1195 38.4106 176.4318 *829 A 4.2353 7.8889 120.4802 50.8894 20.6361 177.3386 830 V 4.0205 7.3695 116.7442 60.9503 31.6726 175.7984 831 D 4.5854 8.5734 125.4977 53.9535 39.2319 175.9593 832 S 4.6736 7.5874 113.3054 57.1473 66.4231 174.2259 833 S 4.3382 8.6202 117.9620 61.2898 63.2647 176.8514 834 S 4.0938 8.0198 111.1342 59.8673 62.7895 175.8346 *836 R 3.4441 7.9350 121.4847 56.3088 31.7899 177.4611 837 E 2.6771 7.5306 116.9687 58.6182 29.5641 178.1467 838 D 4.4426 7.3595 117.6777 57.4925 41.2606 178.1729 839 L 4.3170 7.8250 118.8117 57.9927 41.4342 180.1001 840 F 4.6418 7.9511 118.0928 58.7232 39.1302 176.8854 *842 Q 4.2148 8.0345 117.0012 55.6333 30.6839 177.0349 843 Y 3.6720 8.0003 118.5060 60.4547 38.7618 177.5039 844 I 3.7287 6.9409 117.7122 60.8614 37.5890 175.4421 845 E 4.3193 7.8085 127.0677 56.3247 31.4355 175.1159 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 656 G 8.35 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 657 P 0.00 4.01 0.00 2.14 2.06 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 658 L 8.61 4.28 0.00 1.76 1.68 0.96 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 659 G 8.35 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 660 S 7.81 4.48 0.00 3.76 3.68 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 0.00 661 A 8.92 4.14 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 662 R 7.35 4.18 0.00 2.00 1.91 0.00 3.44 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 *665 Q 7.91 4.27 0.00 2.33 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.68 0.00 0.00 0.00 0.00 0.00 2.29 2.54 0.00 666 F 8.13 4.11 0.00 2.98 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 *668 D 8.04 4.44 0.00 2.94 2.70 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 *670 L 7.93 3.87 0.00 1.11 0.38 0.90 0.42 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 0.00 671 L 7.62 4.16 0.00 1.94 1.88 1.04 1.04 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 0.00 672 E 8.19 4.06 0.00 1.97 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 2.35 2.46 0.00 673 R 7.92 4.30 0.00 1.68 1.91 0.00 3.41 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.34 0.00 674 G 7.86 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 0.00 675 V 7.74 3.85 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 1.07 0.00 0.00 0.85 0.00 0.00 676 S 9.41 4.54 0.00 3.93 4.11 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 0.00 0.00 0.00 677 A 8.37 4.28 0.65 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 0.00 678 F 7.95 4.96 0.00 3.07 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 0.00 679 S 7.90 4.63 0.00 3.90 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 0.00 680 T 8.21 4.93 4.34 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 0.00 0.00 0.00 1.35 0.00 0.00 681 W 9.11 3.98 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 682 E 8.24 4.09 0.00 2.05 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 2.52 2.39 0.00 *684 E 8.15 4.16 0.00 1.86 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 2.46 2.45 0.00 685 L 7.24 3.38 0.00 1.08 1.34 0.50 1.29 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 0.00 686 H 7.69 4.71 0.00 3.26 3.31 0.00 5.61 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *688 I 7.67 3.70 1.65 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 1.19 0.87 0.67 0.00 0.00 689 V 7.11 2.37 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.48 0.00 0.00 690 F 7.74 4.28 0.00 3.16 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 0.00 691 D 7.10 4.21 0.00 1.74 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 0.00 0.00 0.00 0.00 692 P 0.00 4.28 0.00 2.20 2.14 0.00 3.62 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 693 R 8.55 4.01 0.00 1.94 2.03 0.00 3.31 0.00 0.00 3.09 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 694 Y 8.06 4.41 0.00 3.05 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 0.00 695 L 7.99 4.37 0.00 1.71 1.74 0.98 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 696 L 7.77 4.36 0.00 1.78 1.72 0.97 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 697 L 7.17 4.81 0.00 1.07 1.30 0.07 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 698 N 8.62 4.58 0.00 2.83 2.87 0.00 0.00 7.08 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 0.00 699 P 0.00 4.08 0.00 1.96 2.04 0.00 3.62 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 *701 E 8.36 4.22 0.00 1.92 1.81 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 2.18 2.21 0.00 702 R 7.51 3.18 0.00 1.62 1.43 0.00 3.02 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.32 0.00 *704 Q 8.20 4.20 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.91 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 705 V 7.83 3.69 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 1.28 0.00 0.00 0.92 0.00 0.00 706 F 8.61 4.34 0.00 3.44 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 0.00 707 D 8.33 4.33 0.00 2.85 2.74 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 0.00 708 Q 8.03 4.07 0.00 2.08 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 709 Y 7.95 4.20 0.00 3.12 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 0.00 710 V 7.74 3.54 1.73 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 0.89 0.00 0.00 0.30 0.00 0.00 *712 T 7.83 4.17 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 1.13 0.00 0.00 713 R 7.76 3.71 0.00 1.26 1.63 0.00 3.08 0.00 0.00 2.93 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.64 0.00 714 A 7.77 3.72 1.05 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 0.00 0.00 715 E 7.96 3.89 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 716 E 8.31 4.04 0.00 2.02 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 2.30 2.55 0.00 717 E 7.72 3.94 0.00 2.16 2.38 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 2.45 2.41 0.00 718 R 7.89 4.09 0.00 1.87 2.01 0.00 3.28 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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8.15 3.85 0.00 3.86 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 *817 V 7.45 3.65 1.78 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 0.79 0.00 0.00 1.09 0.00 0.00 *819 D 7.95 4.12 0.00 2.54 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 *821 V 7.62 3.96 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 0.76 0.00 0.00 0.97 0.00 0.00 822 E 7.62 2.54 0.00 1.47 1.44 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 2.00 2.08 0.00 823 S 7.48 4.34 0.00 3.79 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 0.00 824 D 7.65 4.50 0.00 2.91 2.64 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 0.00 825 P 0.00 4.48 0.00 2.12 2.13 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 826 R 7.99 4.30 0.00 2.05 2.09 0.00 3.38 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.61 0.00 827 Y 7.84 4.66 0.00 3.13 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 *829 A 7.89 4.24 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 0.00 830 V 7.37 4.02 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.60 0.00 0.00 831 D 8.57 4.59 0.00 2.80 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 0.00 832 S 7.59 4.67 0.00 3.89 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.62 4.34 0.00 3.94 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 0.00 834 S 8.02 4.09 0.00 3.95 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *836 R 7.94 3.44 0.00 1.72 1.85 0.00 2.53 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.55 0.00 837 E 7.53 2.68 0.00 1.61 1.89 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 2.13 1.75 0.00 838 D 7.36 4.44 0.00 2.53 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 0.00 839 L 7.83 4.32 0.00 1.57 1.93 0.31 0.85 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 0.00 840 F 7.95 4.64 0.00 3.04 2.82 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 0.00 0.00 0.00 *842 Q 8.03 4.21 0.00 2.55 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.64 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 843 Y 8.00 3.67 0.00 2.83 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 0.00 844 I 6.94 3.73 1.59 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.63 0.79 0.00 0.00 845 E 7.81 4.32 0.00 1.87 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 2.07 2.00 0.00 * Residues marked with a * may have inaccurate shift predictions.