NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 712 M 4.3802 8.3044 118.1951 55.0364 32.6316 174.6173 713 H 4.0485 8.6583 123.9112 53.1609 30.1335 173.3524 714 P 4.3340 0.0000 0.0000 64.8647 32.1614 176.6002 715 A 4.7084 7.6208 120.2274 50.6079 19.7754 177.8170 716 G 4.0948 8.6150 104.8516 45.8061 0.0000 173.3014 717 I 4.1545 7.5292 120.3493 60.8531 38.0249 175.2517 718 I 4.4120 8.4073 127.9166 59.4283 39.4769 174.8694 719 L 4.7435 8.2455 129.1891 54.7982 43.6383 174.6051 720 T 4.5653 9.5294 115.8239 60.9808 70.7392 174.8070 721 K 3.7884 8.1746 122.1660 56.3751 32.4249 176.2315 722 V 3.8016 8.3476 123.4298 64.7116 32.0048 175.7164 723 G 4.1674 9.2162 114.7479 45.4378 0.0000 172.5843 724 Y 4.9137 7.6624 116.6013 57.8395 38.9701 174.5388 725 Y 5.0991 8.3677 120.2169 56.2818 42.3850 173.3009 726 T 5.0460 8.6646 108.8416 60.0207 73.1670 172.9220 727 I 4.8275 8.5058 122.3739 58.9919 40.7296 173.8218 728 P 4.6689 0.0000 0.0000 62.1450 32.1197 177.1929 729 S 5.0490 8.3827 116.7535 58.2831 64.9178 175.1180 730 M 4.2120 8.8082 122.3913 58.8785 31.4046 178.9445 731 D 4.3428 8.0192 117.5741 57.5733 41.5857 177.7918 732 D 4.5593 8.0009 119.0141 57.5866 40.5236 178.9935 733 L 4.0440 8.5442 119.4861 57.8909 41.6912 179.5259 734 A 3.9911 8.1125 120.6134 54.7969 17.9924 179.6008 735 K 4.0177 7.8193 117.8143 58.6985 32.3393 177.5454 736 I 4.2760 7.0498 108.7433 60.6809 37.9988 175.6930 737 T 4.2598 7.2272 118.2090 63.4063 69.0407 174.4434 738 N 4.7374 8.6785 123.4936 51.6577 38.5909 175.8935 739 E 4.0925 8.6448 117.5408 58.9965 29.4523 178.3488 740 K 4.2188 8.2293 116.1886 55.8706 32.2634 176.8963 741 G 3.9386 8.6814 107.9278 45.7490 0.0000 172.9292 742 E 4.5216 8.4599 119.0374 54.9271 31.9420 175.3236 743 C 4.8596 9.1236 123.2282 58.0049 34.6554 172.5294 744 I 5.0128 8.3988 126.8661 59.5774 39.5509 175.5583 745 V 4.7080 8.5632 119.5243 59.4488 36.1240 174.4326 746 S 4.9745 8.6009 116.8662 57.8993 64.5640 172.1780 747 D 4.3998 9.1312 127.6597 54.2603 37.8172 171.6833 748 F 5.2834 8.9706 124.7911 56.6371 42.1249 174.0773 749 T 4.9676 8.2559 121.5433 61.5967 72.3203 172.6431 750 I 4.4390 8.2675 125.5603 59.0705 41.2075 174.4223 751 G 4.0294 7.9315 115.0680 44.6530 0.0000 170.9438 752 R 4.7173 8.7584 119.7050 53.7188 32.7368 174.8717 753 K 4.0144 9.0845 126.6725 58.4982 32.4803 177.5832 754 G 3.9873 9.0615 111.6151 45.6483 0.0000 173.2446 755 Y 4.4001 8.7072 116.5948 57.8600 40.5264 176.1549 756 G 4.6403 7.4019 103.3112 47.7720 0.0000 170.9236 757 S 4.9746 8.0477 112.9745 57.4887 67.0109 173.7478 758 I 4.8040 8.7172 121.3960 59.7005 40.6767 173.7393 759 Y 5.0545 8.9980 128.9590 55.9195 40.8942 174.1797 760 F 4.8405 9.1308 126.0542 55.5573 41.0708 174.7335 761 E 4.1145 8.3071 124.9573 56.5696 30.9868 177.0177 762 G 3.8773 9.2199 111.6822 44.3287 0.0000 171.9357 763 D 5.0708 8.2481 118.1453 54.1979 41.7444 176.6954 764 V 4.2802 8.9250 122.6301 61.0991 35.0248 173.4856 765 N 4.8773 8.7574 126.8456 52.5627 39.4455 174.3494 766 L 4.2228 8.4034 125.8701 54.2538 42.3918 176.6247 767 T 3.8486 7.5900 116.1736 65.4100 68.5588 173.7210 768 N 4.4732 8.8640 121.2564 52.7824 37.5305 174.5845 769 L 3.9164 7.7628 120.0335 54.7821 42.2367 176.0602 770 N 4.9312 8.4163 122.3938 51.9365 37.9991 175.0978 771 L 3.9442 8.6394 126.8228 57.3463 42.2647 179.7949 772 D 4.0645 8.1137 117.6852 57.4675 40.9139 177.5849 773 D 4.4837 8.5633 117.9320 57.3438 41.3955 178.2419 774 I 3.5613 7.8393 119.9313 63.8405 37.2452 175.6215 775 V 4.4359 7.3694 119.4449 61.5303 32.8142 174.6264 776 H 4.9082 9.1035 124.5195 54.2111 32.1746 172.4915 777 I 4.8871 8.8441 125.0510 59.7005 39.2830 175.3850 778 R 4.5402 9.1814 125.8184 53.5173 33.8630 174.5578 779 R 4.1163 8.8701 118.9686 57.7566 29.8854 175.5639 780 K 4.1198 9.2216 125.7222 56.7851 30.9210 174.2506 781 E 4.7763 7.9809 114.8812 54.5775 32.9430 173.8903 782 V 4.9586 8.3409 124.6118 61.1957 35.0031 174.5814 783 V 4.4404 9.1743 126.9133 61.2340 34.7061 174.0458 784 V 4.1824 8.6612 128.1132 62.8810 32.8057 172.2249 785 Y 3.6449 8.8709 130.3111 57.8859 34.8422 169.6683 786 L 4.0034 8.2121 123.0108 56.1321 41.9588 177.4219 *791 K 3.0172 7.7997 119.9037 54.8686 32.5251 173.4806 792 P 4.4228 0.0000 0.0000 61.4371 32.4331 173.7499 793 P 4.4556 0.0000 0.0000 61.5994 32.2695 175.4853 794 V 3.7464 8.0719 118.6823 64.5909 31.6058 175.7808 795 G 4.1306 8.9476 115.7522 45.2280 0.0000 173.2593 796 E 4.6433 8.3941 119.3072 55.3994 32.4484 176.6591 797 G 3.7176 8.1570 109.8821 47.4580 0.0000 174.9344 798 L 4.1056 8.9984 124.1781 54.5085 42.7033 176.6786 799 N 5.1541 8.2109 120.4766 52.4059 37.4335 172.3745 800 R 5.1492 7.7461 116.8784 54.5475 34.0421 175.8002 801 K 4.3190 9.0538 117.4794 57.3576 33.3523 175.9444 802 A 4.3318 8.5577 122.5592 51.3874 23.6828 174.4709 803 E 4.6979 8.8354 120.9150 54.5808 31.6922 174.8021 804 V 4.3059 7.9686 127.8317 61.6942 33.5941 174.6107 805 T 4.7297 8.7667 124.1579 61.7294 71.7705 172.7874 806 L 4.8489 8.9957 127.7238 53.2703 43.7064 176.1586 807 D 4.7682 9.0388 124.5629 52.9692 43.4264 177.0509 808 G 3.5511 8.0121 105.9931 46.3910 0.0000 173.6420 809 V 4.3012 7.3930 120.4283 61.0316 32.0118 175.2099 810 W 5.3734 8.6425 126.8538 54.2937 33.4267 173.2828 811 P 4.4841 0.0000 0.0000 62.9540 32.7489 174.7530 812 T 4.8573 8.0686 116.9780 61.4869 70.6964 173.6000 813 D 4.2666 8.9624 127.0640 54.3548 41.4997 176.7066 814 K 3.7859 9.0344 126.8256 60.0946 31.6290 177.9147 815 T 4.0527 7.4767 115.4529 65.7399 68.7371 175.6890 816 S 4.1642 7.9053 122.2192 59.5547 63.8246 174.7291 817 R 3.9283 8.0370 119.4434 57.6584 27.8406 175.5164 818 C 4.8545 7.6314 113.1976 57.7680 31.5625 173.6451 819 L 4.4627 8.2564 120.7941 54.8724 42.2480 176.7565 820 I 4.1808 8.3164 124.5661 60.2483 37.2912 175.7725 821 K 4.2472 8.3760 125.5662 55.8011 34.3431 177.1436 822 S 4.1134 7.8986 114.2307 57.8147 63.1014 172.2614 823 P 4.3543 0.0000 0.0000 66.2176 31.1529 178.2726 824 D 4.4203 8.0733 116.9376 57.3000 40.7702 178.9093 825 R 3.9425 7.6468 117.9080 59.3329 30.0433 179.1465 826 L 4.1024 8.2010 118.4536 57.5335 41.5339 179.5378 827 A 4.0536 8.0621 121.0771 55.0042 18.1678 179.2393 828 D 4.2984 7.9888 116.6024 57.5512 40.9119 177.9175 829 I 3.9610 7.6980 108.8724 60.3551 38.6690 174.7582 830 N 4.1067 8.0961 119.9429 54.6418 37.8763 174.5242 831 Y 4.0699 8.4172 121.4466 60.9198 39.1851 176.8027 832 E 3.5870 8.1102 117.9127 58.8009 29.6653 179.2872 833 G 3.2888 7.8022 107.1512 47.5315 0.0000 175.9252 834 R 3.6709 7.4570 120.0300 58.8508 30.0387 178.8833 835 L 2.9976 6.7262 118.4985 57.4290 41.3466 179.2664 836 E 3.2759 7.3790 118.9304 58.8486 29.3807 178.6653 837 A 3.8487 7.7761 120.9166 55.0586 18.4793 179.7833 838 V 3.5102 7.7237 116.7338 66.3149 31.5462 178.4395 839 S 4.0598 8.4444 115.1151 61.4839 62.6268 176.7437 840 R 3.8837 8.1300 121.5597 59.3986 29.6439 178.7201 841 K 3.9964 7.8915 117.1004 59.4389 32.1444 178.5556 842 Q 4.2976 7.8133 115.0104 55.6088 28.6660 176.5038 843 G 3.7902 7.7926 107.8010 46.1907 0.0000 173.3993 844 A 4.7713 8.0240 120.5736 49.9148 22.0207 177.3186 845 Q 4.4517 8.8942 121.5107 54.2790 30.0927 174.7784 846 F 4.6496 9.0617 129.6333 59.1308 39.6533 173.8195 847 K 4.4067 8.0084 124.7243 56.7716 33.8486 175.8909 848 E 4.5044 6.3904 114.7481 55.9299 32.3266 173.6088 849 Y 5.2629 8.1977 120.0804 56.0882 42.3592 173.7493 850 R 4.4207 8.5834 126.5294 53.8652 31.4342 175.1507 851 P 4.1927 0.0000 0.0000 65.6159 31.7518 178.6760 852 E 4.0789 8.4052 116.4229 59.1985 29.5390 177.9365 853 T 4.6880 7.7357 105.3307 60.3642 69.6490 173.8948 854 G 2.8445 7.3355 109.8367 46.8992 0.0000 173.5904 855 S 5.0841 7.5875 115.7541 56.6580 64.8268 173.6777 856 W 5.5203 9.6103 135.0000 55.8212 32.6577 174.5650 857 V 4.8658 9.1846 127.9795 60.9897 33.6868 174.2299 858 F 5.3462 8.0279 121.5355 55.3512 41.8042 173.0118 859 K 4.8439 9.3710 122.0869 55.2378 34.2826 175.5618 860 V 4.6911 8.5966 118.9225 59.8333 35.1116 176.8202 861 S 4.2377 8.4699 118.1398 61.0696 63.4160 173.7327 862 H 4.7531 6.9880 112.0566 56.1415 30.5600 173.6694 863 F 4.4155 9.0074 117.5984 57.7547 39.1533 175.6509 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 712 M 8.30 4.38 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 713 H 8.66 4.05 0.00 3.27 3.22 0.00 5.69 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 714 P 0.00 4.33 0.00 2.22 2.26 0.00 3.37 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.88 0.00 715 A 7.62 4.71 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 716 G 8.62 4.09 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 0.00 0.00 0.00 717 I 7.53 4.15 1.57 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.46 0.79 0.00 0.00 718 I 8.41 4.41 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 1.08 0.79 0.90 0.00 0.00 719 L 8.25 4.74 0.00 1.55 1.51 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 720 T 9.53 4.57 4.22 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 721 K 8.17 3.79 0.00 1.30 1.64 0.00 1.35 0.00 0.00 1.49 0.00 0.00 2.39 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.39 7.81 722 V 8.35 3.80 2.15 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 0.84 0.00 0.00 0.97 0.00 0.00 723 G 9.22 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 724 Y 7.66 4.91 0.00 2.95 2.86 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 0.00 725 Y 8.37 5.10 0.00 3.09 3.07 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 0.00 726 T 8.66 5.05 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 727 I 8.51 4.83 1.91 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.02 0.97 0.00 0.00 728 P 0.00 4.67 0.00 2.14 2.06 0.00 3.92 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 729 S 8.38 5.05 0.00 4.11 4.06 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 0.00 730 M 8.81 4.21 0.00 2.13 2.25 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 2.75 2.68 0.00 731 D 8.02 4.34 0.00 2.68 2.75 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 0.00 732 D 8.00 4.56 0.00 3.01 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 0.00 733 L 8.54 4.04 0.00 1.96 1.79 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 734 A 8.11 3.99 1.23 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 0.00 0.00 735 K 7.82 4.02 0.00 1.81 2.05 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.44 7.81 736 I 7.05 4.28 1.88 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 1.59 0.78 0.97 0.00 0.00 737 T 7.23 4.26 4.37 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 1.28 0.00 0.00 738 N 8.68 4.74 0.00 2.94 2.95 0.00 0.00 6.80 7.17 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 0.00 739 E 8.64 4.09 0.00 1.97 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 0.00 2.31 2.34 0.00 740 K 8.23 4.22 0.00 1.93 1.82 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.42 7.81 741 G 8.68 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 742 E 8.46 4.52 0.00 2.07 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 0.00 2.25 2.22 0.00 743 C 9.12 4.86 0.00 2.91 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 0.00 744 I 8.40 5.01 1.85 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 1.29 0.76 0.88 0.00 0.00 745 V 8.56 4.71 2.15 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 0.76 0.00 0.00 0.96 0.00 0.00 746 S 8.60 4.97 0.00 3.89 4.03 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 0.00 0.00 0.00 747 D 9.13 4.40 0.00 2.98 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 0.00 748 F 8.97 5.28 0.00 3.07 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 0.00 749 T 8.26 4.97 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 1.14 0.00 0.00 750 I 8.27 4.44 1.74 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.66 0.97 0.00 0.00 751 G 7.93 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 752 R 8.76 4.72 0.00 0.67 1.40 0.00 2.43 0.00 0.00 2.40 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.79 0.00 753 K 9.08 4.01 0.00 1.85 1.82 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.71 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.70 7.81 754 G 9.06 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 0.00 0.00 0.00 755 Y 8.71 4.40 0.00 2.84 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 0.00 756 G 7.40 4.64 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 0.00 757 S 8.05 4.97 0.00 3.75 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 0.00 758 I 8.72 4.80 1.84 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.62 0.47 0.00 0.00 759 Y 9.00 5.05 0.00 2.86 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 0.00 760 F 9.13 4.84 0.00 2.98 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 0.00 761 E 8.31 4.11 0.00 1.81 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 0.00 2.31 2.55 0.00 762 G 9.22 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 0.00 763 D 8.25 5.07 0.00 2.57 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 0.00 764 V 8.92 4.28 1.93 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 0.59 0.00 0.00 0.92 0.00 0.00 765 N 8.76 4.88 0.00 2.70 2.64 0.00 0.00 7.11 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 0.00 766 L 8.40 4.22 0.00 1.50 1.33 0.24 -0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 767 T 7.59 3.85 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 1.24 0.00 0.00 768 N 8.86 4.47 0.00 2.83 2.89 0.00 0.00 6.99 7.52 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 0.00 769 L 7.76 3.92 0.00 1.64 1.47 0.72 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 770 N 8.42 4.93 0.00 2.67 2.67 0.00 0.00 7.23 6.66 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 0.00 771 L 8.64 3.94 0.00 1.79 1.63 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 772 D 8.11 4.06 0.00 2.76 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 0.00 773 D 8.56 4.48 0.00 2.59 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 0.00 774 I 7.84 3.56 1.58 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.72 -0.05 0.00 0.00 775 V 7.37 4.44 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 0.74 0.00 0.00 0.76 0.00 0.00 776 H 9.10 4.91 0.00 3.08 3.18 0.00 5.61 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 777 I 8.84 4.89 1.58 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.61 0.88 0.00 0.00 778 R 9.18 4.54 0.00 1.82 1.89 0.00 3.15 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.47 0.00 779 R 8.87 4.12 0.00 1.94 2.03 0.00 3.66 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 780 K 9.22 4.12 0.00 2.09 2.02 0.00 2.04 0.00 0.00 1.81 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.70 1.77 7.81 781 E 7.98 4.78 0.00 2.11 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 782 V 8.34 4.96 2.19 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 0.91 0.00 0.00 0.92 0.00 0.00 783 V 9.17 4.44 2.15 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 1.02 0.00 0.00 0.99 0.00 0.00 784 V 8.66 4.18 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 -0.36 0.00 0.00 785 Y 8.87 3.64 0.00 3.17 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 0.00 786 L 8.21 4.00 0.00 1.67 1.73 0.85 0.76 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 *791 K 7.80 3.02 0.00 1.56 1.64 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.22 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.11 0.98 7.81 792 P 0.00 4.42 0.00 2.12 1.93 0.00 2.27 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 793 P 0.00 4.46 0.00 2.21 2.17 0.00 3.71 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.91 0.00 794 V 8.07 3.75 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 0.81 0.00 0.00 0.83 0.00 0.00 795 G 8.95 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 0.00 0.00 0.00 0.00 796 E 8.39 4.64 0.00 2.11 1.83 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 2.22 2.21 0.00 797 G 8.16 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 0.00 0.00 0.00 798 L 9.00 4.11 0.00 1.40 1.43 0.70 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 799 N 8.21 5.15 0.00 3.00 2.96 0.00 0.00 6.63 7.93 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 0.00 800 R 7.75 5.15 0.00 2.01 2.12 0.00 3.10 0.00 0.00 3.46 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.00 0.00 801 K 9.05 4.32 0.00 1.84 1.87 0.00 1.24 0.00 0.00 2.39 0.00 0.00 2.74 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.32 7.81 802 A 8.56 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 803 E 8.84 4.70 0.00 2.01 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 2.03 2.11 0.00 804 V 7.97 4.31 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.78 0.00 0.00 805 T 8.77 4.73 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 806 L 9.00 4.85 0.00 1.73 1.73 0.91 0.87 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 0.00 807 D 9.04 4.77 0.00 2.58 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.01 3.55 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 0.00 0.00 0.00 809 V 7.39 4.30 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 1.02 0.00 0.00 1.20 0.00 0.00 810 W 8.64 5.37 0.00 3.30 2.87 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 0.00 811 P 0.00 4.48 0.00 1.90 1.51 0.00 3.55 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.33 0.00 812 T 8.07 4.86 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 1.25 0.00 0.00 813 D 8.96 4.27 0.00 2.71 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 0.00 814 K 9.03 3.79 0.00 1.77 1.89 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.49 7.81 815 T 7.48 4.05 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 1.20 0.00 0.00 816 S 7.91 4.16 0.00 3.95 3.98 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 0.00 817 R 8.04 3.93 0.00 1.96 2.06 0.00 3.13 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 818 C 7.63 4.85 0.00 2.80 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 0.00 819 L 8.26 4.46 0.00 1.30 1.36 0.97 0.94 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 0.00 820 I 8.32 4.18 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.45 0.86 0.00 0.00 821 K 8.38 4.25 0.00 1.40 1.50 0.00 1.19 0.00 0.00 0.82 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.58 7.81 822 S 7.90 4.11 0.00 3.85 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 0.00 823 P 0.00 4.35 0.00 2.23 2.17 0.00 3.67 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.26 0.00 824 D 8.07 4.42 0.00 2.73 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 0.00 825 R 7.65 3.94 0.00 2.11 1.97 0.00 3.28 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 826 L 8.20 4.10 0.00 2.00 1.93 1.33 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 827 A 8.06 4.05 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 0.00 828 D 7.99 4.30 0.00 2.88 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 0.00 829 I 7.70 3.96 1.89 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 1.44 0.70 0.91 0.00 0.00 830 N 8.10 4.11 0.00 2.94 2.78 0.00 0.00 6.75 7.55 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 0.00 831 Y 8.42 4.07 0.00 2.97 2.84 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 0.00 0.00 0.00 832 E 8.11 3.59 0.00 2.36 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 833 G 7.80 3.29 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 0.00 834 R 7.46 3.67 0.00 1.54 1.67 0.00 3.05 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 835 L 6.73 3.00 0.00 0.98 0.38 -0.15 -0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 836 E 7.38 3.28 0.00 1.16 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 2.06 2.08 0.00 837 A 7.78 3.85 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 0.00 838 V 7.72 3.51 2.19 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 1.23 0.00 0.00 0.83 0.00 0.00 839 S 8.44 4.06 0.00 4.27 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 0.00 840 R 8.13 3.88 0.00 2.03 1.99 0.00 3.07 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 841 K 7.89 4.00 0.00 1.91 1.84 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.60 7.81 842 Q 7.81 4.30 0.00 1.93 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.46 0.00 0.00 0.00 0.00 0.00 2.35 2.61 0.00 843 G 7.79 3.79 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 0.00 0.00 0.00 844 A 8.02 4.77 1.24 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 0.00 845 Q 8.89 4.45 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.93 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 846 F 9.06 4.65 0.00 3.15 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 0.00 847 K 8.01 4.41 0.00 1.53 1.65 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.41 7.81 848 E 6.39 4.50 0.00 1.94 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 2.02 2.12 0.00 849 Y 8.20 5.26 0.00 3.28 3.03 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 0.00 0.00 0.00 850 R 8.58 4.42 0.00 1.54 1.86 0.00 3.13 0.00 0.00 3.38 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.47 0.00 851 P 0.00 4.19 0.00 2.24 2.29 0.00 3.55 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 852 E 8.41 4.08 0.00 1.95 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 2.34 2.41 0.00 853 T 7.74 4.69 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 1.24 0.00 0.00 854 G 7.34 2.84 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 0.00 0.00 0.00 0.00 0.00 0.00 855 S 7.59 5.08 0.00 3.66 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 0.00 856 W 9.61 5.52 0.00 3.56 3.20 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 0.00 857 V 9.18 4.87 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 0.93 0.00 0.00 0.86 0.00 0.00 858 F 8.03 5.35 0.00 3.14 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 0.00 859 K 9.37 4.84 0.00 1.80 1.70 0.00 1.56 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.43 7.81 860 V 8.60 4.69 1.74 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 0.74 0.00 0.00 0.24 0.00 0.00 861 S 8.47 4.24 0.00 3.91 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 862 H 6.99 4.75 0.00 3.50 3.29 0.00 5.08 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 863 F 9.01 4.42 0.00 3.14 3.08 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 * Residues marked with a * may have inaccurate shift predictions.