NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 649 P 4.4735 0.0000 0.0000 62.4584 32.6544 175.7636 650 L 4.3206 8.4389 122.4765 53.1172 45.5738 172.9354 651 G 3.9311 8.8074 107.8144 44.4127 0.0000 172.1769 652 S 4.6719 8.5171 113.3387 57.3429 64.1513 173.0332 653 R 4.8899 8.4678 124.2257 54.4187 33.0730 174.2088 654 L 4.6572 8.9536 127.2215 53.6280 44.0417 174.8872 655 F 5.2756 8.9872 124.9156 55.9437 40.7097 174.8821 656 S 4.9550 9.0668 117.4872 56.8706 67.1415 172.4128 657 R 5.1622 8.5488 118.3915 54.9354 33.0913 173.8342 658 F 4.9652 9.8426 127.6377 56.5390 42.8924 173.0127 659 D 5.0326 7.6803 125.5104 52.7378 41.7851 176.0169 660 D 4.6275 9.1225 124.6914 54.1279 42.5001 174.8583 661 G 4.0686 8.1162 108.1062 44.1907 0.0000 173.1876 662 I 4.2781 8.3855 113.8463 60.9049 38.2350 175.4296 663 K 4.7753 9.3895 123.1844 55.0148 36.2630 175.2677 664 L 4.7323 8.6193 124.4280 54.1066 42.1557 176.0652 665 D 4.7330 8.8919 127.3278 52.2726 40.4648 177.5591 666 R 4.1373 8.3718 114.7815 57.7494 29.6035 176.9064 667 E 4.2524 8.3771 117.3574 56.3012 29.9283 176.6182 668 G 3.6459 8.0525 107.0025 45.6308 0.0000 173.3162 669 W 4.7663 8.2356 118.8510 54.5867 31.9961 175.4879 670 F 5.2695 8.8968 122.2312 56.9560 39.0988 175.2014 671 S 4.8306 9.4964 118.4665 56.7437 67.0564 172.8649 672 V 4.6768 8.3847 120.9152 61.8120 32.4305 175.0712 673 T 4.7977 8.3248 116.2965 58.4336 72.0859 172.7790 674 P 4.3938 0.0000 0.0000 64.5132 31.1711 178.4199 675 E 3.8270 7.9632 118.8621 59.0388 29.5851 178.4687 676 K 3.9657 8.0665 119.0578 59.6896 32.3323 178.6135 677 I 3.5373 7.8658 119.2385 64.3043 37.1636 178.0083 678 A 3.7279 7.7985 121.5985 55.0860 18.0689 179.3329 679 E 3.6877 8.5287 118.0797 59.4454 29.7100 178.4936 680 H 3.9693 8.0622 118.2379 59.2665 29.8044 177.2769 681 I 3.6832 7.8980 121.7277 64.3065 36.9089 178.2935 682 A 4.0052 7.6856 121.6630 54.8793 17.9030 179.7722 683 G 3.5776 7.8450 103.1838 48.0605 0.0000 175.6683 684 R 4.0423 7.8140 121.0606 58.8331 30.1269 179.3103 685 V 3.7361 8.0501 118.1363 66.1843 31.3900 178.2478 686 S 4.2547 8.1472 112.3202 61.0253 62.9176 175.6464 687 Q 4.2795 7.6061 119.6917 56.2998 28.9553 176.2870 688 S 4.3774 7.1678 116.0661 57.5451 63.5529 173.6719 689 F 4.2604 8.7607 124.2856 59.4130 39.0940 174.9665 690 K 3.5285 8.1711 128.6349 57.7970 29.2488 176.3536 691 C 4.5186 7.9214 117.0206 58.2891 27.4572 172.9084 692 D 4.7673 9.0179 123.6808 53.8308 42.8726 177.1375 693 V 4.7268 7.6986 118.7745 60.7438 34.7811 174.6352 694 V 4.7097 8.3722 126.6497 59.7529 34.7156 174.6115 695 V 4.2219 8.5532 124.6659 62.1164 32.8995 174.2848 696 D 5.0622 8.9064 129.2650 52.9819 40.9771 176.4416 697 A 3.4398 8.3224 129.0388 53.4961 18.8252 177.6721 698 F 4.8187 7.6130 112.7130 55.7802 39.5438 174.3098 699 C 4.6344 9.2868 119.5763 58.8534 31.2958 176.3026 700 G 3.6589 8.2369 109.3073 47.1232 0.0000 175.1928 701 V 3.8027 8.3220 117.2437 61.7511 31.6953 176.9907 702 G 4.1291 8.6332 109.2168 46.0849 0.0000 176.0527 703 G 3.5430 8.2694 107.9525 47.8354 0.0000 175.9893 704 N 3.9071 7.8976 118.8216 55.6336 38.5572 177.3730 705 T 3.9785 7.9610 116.7829 66.8570 68.4894 176.2104 706 I 3.5006 7.8715 121.6346 64.5248 36.8725 178.4668 707 Q 3.7725 7.1281 117.1921 58.8584 28.6142 178.7217 708 F 4.3695 7.9977 118.8002 60.6122 38.9587 177.6183 709 A 4.0049 8.2124 120.4235 55.1369 17.9506 179.5648 710 L 3.9666 8.0361 117.1175 57.7564 41.7308 179.0599 711 T 4.2747 7.4616 107.7154 61.3880 70.5605 175.2443 712 G 4.0823 7.6303 111.3912 46.1997 0.0000 173.0830 *714 R 4.2858 7.5910 118.9827 56.2982 32.6842 175.5560 715 V 4.7279 8.5164 121.8826 61.1589 34.9924 174.3000 716 I 4.6148 8.6572 128.8878 59.9048 38.7254 174.3419 717 A 4.9333 8.5833 130.7096 50.3490 20.7869 175.4771 718 I 5.3351 8.7377 123.9476 58.8200 40.5056 174.5165 719 D 4.9801 8.4595 125.1069 52.6996 44.3451 175.8371 720 I 3.9397 8.7339 124.1518 62.1250 38.7910 175.3161 721 D 4.8121 8.2863 120.7268 52.3096 42.3427 174.9228 722 P 4.3408 0.0000 0.0000 65.5733 31.5953 178.6415 723 V 3.5796 7.9093 118.2915 65.8624 31.3428 178.1204 724 K 4.0058 7.9803 117.7968 59.3857 31.9382 179.2523 725 I 3.6156 7.6779 119.4148 64.1938 37.0417 178.1378 726 A 3.8267 7.8928 121.4876 55.2752 18.1536 179.6716 727 L 3.8728 7.7437 116.7727 57.8258 41.6606 179.6844 728 A 4.3851 8.1309 122.3187 54.5669 18.3512 179.4682 729 R 3.0837 7.8440 117.4277 59.6165 29.9265 178.5285 730 N 4.3473 8.1193 116.0889 56.0651 38.1044 176.9302 731 N 4.3915 8.4215 118.4626 56.8243 38.9290 176.8310 732 A 4.2052 8.3067 122.1966 54.9773 18.5824 179.0834 733 E 3.9577 8.3279 117.9557 59.7083 29.5312 179.4068 734 V 3.6404 7.4059 116.7787 66.0065 31.6557 176.9396 735 Y 4.2254 7.8048 113.3071 58.1076 37.8195 176.2562 736 G 3.9898 7.8946 107.7662 46.2942 0.0000 173.9982 737 I 4.5617 7.6098 110.1357 59.9756 38.3681 177.1267 738 A 4.1543 8.2857 126.9597 55.7737 18.2432 179.9704 739 D 4.5617 8.0314 113.5238 55.3227 39.8395 177.2854 740 K 4.1837 8.1166 119.3861 57.4895 32.5851 176.0522 741 I 4.7225 7.3223 119.7911 59.2247 39.7154 174.8833 742 E 4.5098 8.8196 126.4681 54.6731 31.4257 175.0043 743 F 5.0207 8.7765 124.0618 56.6420 40.6499 175.3716 744 I 4.5313 9.0863 124.5406 59.5785 40.3046 174.1520 745 C 5.2771 8.3032 128.2629 58.5379 32.2677 172.6971 746 G 4.0025 7.9201 113.0282 46.1842 0.0000 170.4153 747 D 4.5753 7.9626 119.5680 53.2725 41.7551 176.2955 748 F 4.0955 8.9970 129.0266 61.7088 38.9565 176.9969 749 L 3.7557 8.1671 117.3183 57.0966 41.4397 178.6988 750 L 4.2763 7.5366 117.4621 56.0759 42.1778 178.1811 751 L 4.4733 7.4956 118.0105 56.4462 42.0082 178.3564 752 A 3.6604 7.3196 120.9832 55.1905 17.9732 179.5440 753 S 3.9533 7.4196 110.8619 60.0930 62.8137 174.8740 754 F 4.9511 7.5961 118.7012 56.9529 39.7383 174.9606 755 L 4.6755 7.4091 120.6713 52.8224 43.4281 175.8441 756 K 4.4014 8.3036 121.1168 54.6799 34.0828 175.0853 757 A 4.5599 8.1463 127.2188 51.4927 22.0515 174.9228 758 D 4.6671 8.5624 118.9773 55.8126 41.9743 177.8678 759 V 4.6859 7.4945 117.0214 61.0144 35.5348 173.9796 760 V 4.6416 8.6584 126.7170 60.9914 34.4379 173.6868 761 F 5.1208 9.2781 130.5942 56.4684 41.6357 173.9747 762 L 4.4607 8.0864 126.6765 52.8167 43.7576 175.8105 763 S 4.8416 8.1492 119.0418 55.9758 61.6166 171.3074 764 P 3.4659 0.0000 0.0000 59.8784 32.5084 174.4680 765 P 4.0600 0.0000 0.0000 63.0988 31.1849 177.0103 766 W 4.8057 8.3344 123.2002 55.6556 30.4383 175.0946 *772 A 4.1108 7.9916 121.6999 52.8214 18.7807 177.2675 773 T 4.3382 8.2031 116.5138 61.8616 67.4451 173.9336 774 A 4.8282 7.8006 127.7019 49.3981 22.6507 176.0158 775 E 4.0861 8.8261 119.5716 58.8764 29.8388 177.0790 776 T 4.8150 7.5717 113.6409 61.4830 71.8574 173.5081 777 F 4.3520 9.1224 129.4488 57.4184 40.1816 173.7508 778 D 5.0090 8.0111 126.9372 52.8578 41.8113 177.0811 779 I 3.9292 8.9129 121.0274 63.5288 38.2335 178.6485 780 R 3.9658 8.3735 121.5455 59.4628 30.4774 177.4473 781 T 4.0599 6.9553 108.9845 59.9818 67.4151 174.5778 *784 S 4.1464 7.6064 115.4680 57.9496 63.3460 171.4215 785 P 4.5862 0.0000 0.0000 61.4886 32.3694 175.7439 786 D 4.6364 8.8791 116.7693 55.2350 41.9175 177.7081 787 G 3.8937 9.0481 114.0342 48.6748 0.0000 175.6606 788 F 4.1911 8.9362 120.4016 60.3605 38.9558 177.3336 789 E 4.0443 8.7053 118.5730 59.3272 29.5200 178.6464 790 I 3.9439 8.2136 120.0112 64.5530 37.1836 178.1507 791 F 3.8812 8.2856 120.9411 61.1848 38.9987 176.9380 792 R 3.9469 8.3013 117.4637 59.6985 29.8981 178.2045 793 L 4.0088 8.0237 118.5910 57.7989 41.5777 179.6933 794 S 4.2744 8.1085 115.2658 61.4566 62.2051 176.8260 795 K 4.1409 7.9057 122.7093 58.6824 31.4661 179.3571 796 K 3.6226 7.4050 116.7602 59.0825 31.8922 178.8715 797 I 3.9895 7.1463 119.0969 62.5870 37.8451 175.7356 798 T 4.2468 6.4625 110.6917 61.6337 70.5484 173.2655 799 N 4.4245 8.6996 122.1165 55.0586 39.2691 175.6395 800 N 5.0246 8.0401 116.4107 52.5860 38.6502 173.5109 801 I 5.0286 8.3203 123.4909 59.1994 41.4552 174.2346 802 V 4.8639 8.8788 126.6819 61.2605 34.0889 173.5762 803 Y 5.0093 9.1168 128.9339 55.8690 41.3841 173.7021 804 F 5.0910 9.3782 130.6308 57.2012 40.4288 174.8760 805 L 4.4418 8.3955 125.5948 51.7904 46.5096 174.5917 806 P 3.7113 0.0000 0.0000 61.6814 31.8808 177.4656 807 R 3.6642 8.1372 116.1593 59.1233 29.3069 177.0192 808 N 4.6335 7.7255 113.9089 52.1564 37.5848 174.3047 809 A 4.1432 7.2602 121.9653 52.4354 18.9067 178.2988 810 D 4.3995 8.4720 121.2173 54.3870 41.7337 177.4553 811 I 3.7224 8.3097 129.3268 64.0307 37.1802 178.1607 812 D 4.3515 8.1539 119.6743 57.3875 40.6433 178.3177 813 Q 4.1966 8.0280 119.2915 58.4561 28.5738 179.1697 814 V 3.3642 7.6393 117.4379 66.1227 31.9651 177.6929 815 A 4.1563 8.3476 120.8918 54.9711 18.1394 179.6840 816 S 4.2193 8.3262 112.8586 61.3253 62.7456 176.6177 817 L 3.6840 7.3547 122.1712 57.4421 41.4667 178.7412 818 A 4.4382 8.1776 119.6498 52.2576 18.5172 178.4930 819 G 4.1014 7.9051 102.8592 44.2891 0.0000 171.2751 820 P 4.4907 0.0000 0.0000 63.7828 31.4753 177.4424 821 G 3.9278 8.8263 111.6308 45.4212 0.0000 173.4167 822 G 4.1868 7.8620 107.0639 44.5826 0.0000 173.1090 823 Q 5.0771 8.5698 119.9256 54.6175 30.3135 175.7461 824 V 4.3310 8.4688 121.7835 59.7961 35.5937 173.6069 825 E 4.8536 8.6626 123.1162 54.5660 32.3989 174.7003 826 I 4.3951 8.8751 129.1293 59.6810 38.6707 174.1766 827 E 4.9745 9.0695 130.0439 54.3044 30.9036 174.8728 828 Q 4.6202 9.2571 127.7023 55.2832 30.7862 174.7760 829 N 5.5779 9.1500 122.2409 52.0843 40.4718 173.9613 830 F 5.2014 9.3500 123.4549 55.5505 42.2991 174.7340 831 L 4.8816 8.7173 124.1683 53.4857 44.5929 176.2856 832 N 4.2560 9.6646 125.1919 54.7418 36.0771 174.5419 833 N 4.2359 8.3362 110.2718 53.7230 37.0144 174.4701 834 K 4.6582 7.9622 118.9283 54.2772 33.7150 175.7465 835 L 3.4485 8.3941 125.7643 54.9570 42.6725 175.6506 836 K 4.5437 8.8448 125.3742 57.9444 33.9121 176.3116 837 T 4.6075 7.3909 107.6593 60.5079 72.2983 172.0751 838 I 4.9745 8.3485 115.2494 59.3248 41.3570 174.6744 839 T 5.0301 8.9267 119.9677 61.9355 71.3070 172.8275 840 A 4.9055 9.0579 129.8373 50.9872 20.7705 175.3672 841 Y 5.2289 9.0343 120.2558 56.3251 40.8525 175.0161 842 F 5.0407 8.7716 119.9011 55.8490 43.8213 175.9764 843 G 4.0766 9.0483 107.8707 47.2993 0.0000 175.4132 844 D 4.8222 9.4361 124.1643 55.1810 40.7876 177.1524 845 L 4.3158 7.6307 119.7739 56.6523 42.1502 177.7949 846 I 3.8484 7.1633 117.9788 61.1113 37.4977 176.0914 847 R 3.8398 8.5794 123.9528 57.8694 30.7181 177.0519 848 R 4.2282 8.4865 117.4263 56.7883 29.6080 176.4041 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 649 P 0.00 4.47 0.00 2.22 2.17 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.01 0.00 650 L 8.44 4.32 0.00 1.78 1.56 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 651 G 8.81 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 652 S 8.52 4.67 0.00 3.94 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 0.00 653 R 8.47 4.89 0.00 1.84 1.72 0.00 3.40 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 654 L 8.95 4.66 0.00 1.73 1.47 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 655 F 8.99 5.28 0.00 2.96 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 0.00 656 S 9.07 4.95 0.00 3.92 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 0.00 657 R 8.55 5.16 0.00 1.92 1.85 0.00 2.92 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.93 0.00 658 F 9.84 4.97 0.00 3.10 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 0.00 659 D 7.68 5.03 0.00 2.30 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.12 4.63 0.00 2.77 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 661 G 8.12 4.07 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 0.00 662 I 8.39 4.28 2.04 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 1.41 0.67 0.98 0.00 0.00 663 K 9.39 4.78 0.00 1.87 1.98 0.00 1.24 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.74 7.81 664 L 8.62 4.73 0.00 1.72 1.69 0.42 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 665 D 8.89 4.73 0.00 3.00 2.85 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 0.00 0.00 0.00 666 R 8.37 4.14 0.00 1.91 2.09 0.00 3.07 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 667 E 8.38 4.25 0.00 2.40 2.21 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 2.35 2.36 0.00 668 G 8.05 3.65 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 0.00 669 W 8.24 4.77 0.00 3.63 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 0.00 670 F 8.90 5.27 0.00 3.09 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 0.00 671 S 9.50 4.83 0.00 3.83 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 0.00 672 V 8.38 4.68 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.98 0.00 0.00 673 T 8.32 4.80 4.26 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 1.24 0.00 0.00 674 P 0.00 4.39 0.00 2.11 2.07 0.00 3.59 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 675 E 7.96 3.83 0.00 2.03 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 2.31 2.29 0.00 676 K 8.07 3.97 0.00 1.97 2.08 0.00 2.06 0.00 0.00 1.92 0.00 0.00 3.04 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.95 1.79 7.81 677 I 7.87 3.54 1.94 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.78 1.02 0.00 0.00 678 A 7.80 3.73 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 0.00 679 E 8.53 3.69 0.00 2.00 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 2.23 2.43 0.00 680 H 8.06 3.97 0.00 2.63 2.81 0.00 5.84 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 0.00 681 I 7.90 3.68 1.58 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.54 0.97 0.00 0.00 682 A 7.69 4.01 1.01 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 0.00 0.00 683 G 7.85 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 0.00 0.00 0.00 684 R 7.81 4.04 0.00 2.03 1.93 0.00 2.95 0.00 0.00 2.88 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 685 V 8.05 3.74 2.42 0.00 0.00 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 785 P 0.00 4.59 0.00 2.36 2.17 0.00 3.90 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.18 0.00 786 D 8.88 4.64 0.00 2.83 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 0.00 787 G 9.05 3.89 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 0.00 0.00 0.00 788 F 8.94 4.19 0.00 3.35 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 0.00 789 E 8.71 4.04 0.00 2.19 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 2.44 2.54 0.00 790 I 8.21 3.94 2.25 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.79 1.12 0.00 0.00 791 F 8.29 3.88 0.00 3.37 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 0.00 792 R 8.30 3.95 0.00 2.06 2.21 0.00 3.35 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 793 L 8.02 4.01 0.00 1.65 1.35 0.83 0.61 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 0.00 794 S 8.11 4.27 0.00 3.62 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 0.00 795 K 7.91 4.14 0.00 1.84 1.77 0.00 1.55 0.00 0.00 1.54 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.83 1.44 7.81 796 K 7.41 3.62 0.00 1.80 1.76 0.00 1.51 0.00 0.00 1.53 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.55 7.81 797 I 7.15 3.99 1.94 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 1.39 0.40 0.91 0.00 0.00 798 T 6.46 4.25 4.35 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 1.19 0.00 0.00 799 N 8.70 4.42 0.00 2.80 2.94 0.00 0.00 6.99 8.00 0.00 0.00 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 N 8.04 5.02 0.00 2.90 2.85 0.00 0.00 6.58 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 801 I 8.32 5.03 1.83 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 0.98 0.94 0.73 0.00 0.00 802 V 8.88 4.86 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.13 0.00 0.00 803 Y 9.12 5.01 0.00 3.27 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 0.00 804 F 9.38 5.09 0.00 3.01 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 0.00 805 L 8.40 4.44 0.00 1.17 0.90 0.54 0.13 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 0.00 806 P 0.00 3.71 0.00 1.62 0.62 0.00 2.43 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 0.67 0.44 0.00 807 R 8.14 3.66 0.00 1.77 2.03 0.00 2.96 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 808 N 7.73 4.63 0.00 3.03 2.99 0.00 0.00 6.15 7.82 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 0.00 809 A 7.26 4.14 1.06 0.00 0.00 0.00 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0.00 0.00 2.26 2.35 0.00 826 I 8.88 4.40 0.74 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.16 0.71 0.00 0.00 827 E 9.07 4.97 0.00 2.33 2.34 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 2.52 2.34 0.00 828 Q 9.26 4.62 0.00 2.34 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.55 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 829 N 9.15 5.58 0.00 2.80 2.97 0.00 0.00 6.53 7.85 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 0.00 830 F 9.35 5.20 0.00 3.06 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 0.00 831 L 8.72 4.88 0.00 1.78 1.54 0.96 0.79 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 0.00 832 N 9.66 4.26 0.00 2.91 2.86 0.00 0.00 7.20 8.00 0.00 0.00 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 N 8.34 4.24 0.00 2.89 2.91 0.00 0.00 7.12 7.61 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 0.00 834 K 7.96 4.66 0.00 1.88 1.75 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.40 7.81 835 L 8.39 3.45 0.00 0.95 1.33 0.41 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 836 K 8.84 4.54 0.00 1.70 1.84 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.54 7.81 837 T 7.39 4.61 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 838 I 8.35 4.97 1.78 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.43 0.77 0.00 0.00 839 T 8.93 5.03 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 840 A 9.06 4.91 1.22 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 0.00 0.00 0.00 841 Y 9.03 5.23 0.00 2.77 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 0.00 842 F 8.77 5.04 0.00 3.22 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 0.00 843 G 9.05 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 0.00 844 D 9.44 4.82 0.00 2.90 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 0.00 845 L 7.63 4.32 0.00 2.01 2.02 1.11 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 846 I 7.16 3.85 1.88 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 1.28 0.52 0.93 0.00 0.00 847 R 8.58 3.84 0.00 1.70 1.87 0.00 3.36 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.83 0.00 848 R 8.49 4.23 0.00 1.98 2.00 0.00 3.40 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 * Residues marked with a * may have inaccurate shift predictions.