NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 649 P 4.5092 0.0000 0.0000 62.7329 32.8064 176.3407 650 L 4.6395 8.1572 121.1039 54.0388 44.1552 173.7677 651 G 4.9171 8.2448 104.6824 43.0599 0.0000 172.7634 652 S 4.6013 8.6922 115.7834 58.0015 64.4119 173.0309 653 R 5.0134 8.5963 120.4311 54.2298 31.3685 174.7870 654 L 4.5278 8.8242 126.8998 54.1779 43.7424 175.0185 655 F 5.2452 8.9851 124.4715 55.8456 40.9680 174.6737 656 S 4.9449 9.0610 117.1785 56.7595 67.1379 172.3710 657 R 5.1753 8.6173 118.5166 54.6925 33.1219 173.9320 658 F 4.9692 9.8005 127.0188 56.5470 42.9909 173.0192 659 D 5.1094 7.6971 125.4040 52.6519 41.8128 175.9550 660 D 4.5963 9.0230 124.6345 54.2024 42.4625 174.9192 661 G 4.1043 8.1051 109.1115 44.1686 0.0000 173.0096 662 I 4.3173 8.2916 113.7098 60.7875 38.2825 175.5292 663 K 4.7663 9.6184 124.1535 54.9969 36.0221 175.2478 664 L 4.7716 8.5997 124.4271 54.1158 42.1329 176.0974 665 D 4.7222 8.8659 127.2615 52.3863 40.3761 177.5329 666 R 4.1429 8.3644 114.8182 57.7284 29.6205 176.9836 667 E 4.2025 8.3464 117.3219 56.6446 30.0121 176.8849 668 G 3.6548 8.0782 107.1462 45.3238 0.0000 173.2097 669 W 4.7556 8.2961 118.8639 54.6372 32.1215 175.4707 670 F 5.2696 8.8490 121.3882 57.0651 39.0264 175.3982 671 S 4.8889 9.4944 120.0840 56.6358 67.3793 173.2634 672 V 4.6380 8.4101 122.2389 61.7673 32.3582 175.1309 673 T 4.8001 8.3472 116.5563 58.3888 72.1286 172.7948 674 P 4.3614 0.0000 0.0000 64.7971 31.1153 178.4967 675 E 3.8352 8.0245 118.7638 58.8738 29.5277 178.3910 676 K 3.9387 8.0861 119.1843 59.7463 32.2751 178.6150 677 I 3.4867 7.8484 119.1193 64.2123 37.0821 177.8616 678 A 3.7114 7.7111 121.6248 55.2559 18.0341 179.2553 679 E 3.7694 8.3902 117.9392 59.5843 29.6806 178.5625 680 H 3.9854 7.8915 118.1664 59.1857 29.7819 177.2953 681 I 3.7211 7.8933 121.7638 64.3334 36.9644 178.2424 682 A 4.0761 7.8328 121.7753 54.9745 17.9083 179.7383 683 G 3.6016 7.9191 103.2194 48.1212 0.0000 175.6263 684 R 4.0224 7.8586 120.8871 58.9190 30.2755 179.1174 685 V 3.7242 8.1763 118.1534 66.3188 31.3721 178.2056 686 S 4.2958 8.1123 111.7788 60.6502 62.9971 175.4206 687 Q 4.3566 7.6597 119.9483 55.9754 28.8498 176.0650 688 S 4.3738 7.2772 116.3578 57.6732 63.5807 173.2430 689 F 4.5882 8.7119 124.4133 59.3412 39.1418 174.9184 690 K 3.5011 8.2697 128.0768 57.8126 29.0836 176.1508 691 C 4.5312 7.9917 117.5273 58.3174 27.6850 172.8800 692 D 4.7691 9.3227 124.4698 53.7220 43.1477 177.0388 693 V 4.6712 7.7950 119.0138 60.7382 34.4999 174.6266 694 V 4.7644 8.4872 127.3122 59.7435 34.5080 174.7050 695 V 4.2571 8.7137 124.7685 61.9815 32.8748 174.3499 696 D 5.1020 8.8497 129.3375 52.9964 40.8337 176.4656 697 A 3.4490 8.4102 128.8736 53.3975 18.7851 177.7420 698 F 4.8219 7.5906 112.2856 55.9394 39.5478 174.5287 699 C 4.6234 9.2310 118.8539 59.0746 31.2422 176.3367 700 G 3.7120 8.1540 109.4085 47.0336 0.0000 175.4504 701 V 3.7346 8.2810 116.8033 62.0788 31.8200 177.1887 702 G 3.9820 8.7962 109.7004 45.5080 0.0000 175.5419 703 G 3.6235 8.3000 107.5287 48.0709 0.0000 175.8945 704 N 3.8556 7.8433 118.8560 55.5991 38.5870 177.3497 705 T 3.9480 7.9192 116.7480 66.9100 68.4969 176.2026 706 I 3.5227 8.0073 121.6334 64.5517 36.8514 178.5466 707 Q 3.7587 7.1286 117.1187 58.7305 28.5807 178.6189 708 F 4.4222 7.8892 118.7210 60.6334 38.9981 177.6116 709 A 4.0134 8.0614 120.3496 55.1348 17.9392 179.6362 710 L 4.0347 7.9657 116.8600 57.4870 41.7220 178.8353 711 T 4.2910 7.4800 107.9058 61.4688 70.5173 174.8318 712 G 3.7175 7.6775 109.9602 46.0608 0.0000 172.9901 *714 R 4.2722 7.4322 118.6434 56.2962 32.6651 175.6280 715 V 4.6766 8.6661 122.1354 61.1626 35.1441 174.3493 716 I 4.6585 8.5972 128.5851 59.8997 38.7131 174.2843 717 A 4.9748 8.6183 130.7074 50.3100 20.8046 175.4371 718 I 5.3396 8.6223 123.8200 58.9853 40.6165 174.5342 719 D 4.9288 8.3383 124.2468 53.0767 44.1687 175.8758 720 I 3.8379 8.6760 124.4588 62.1519 38.7613 175.3193 721 D 4.8269 8.4021 120.7284 52.1493 42.4253 174.9508 722 P 4.3172 0.0000 0.0000 65.6384 31.3936 178.7154 723 V 3.5538 7.8343 118.1457 65.7603 31.4011 178.0300 724 K 3.9179 7.9995 117.7473 59.5163 31.9621 179.0712 725 I 3.5703 7.6463 119.4625 64.3031 37.0564 178.1698 726 A 3.8183 7.8299 121.3886 55.1435 18.0971 179.6114 727 L 3.8442 7.7778 117.0035 57.8973 41.6621 179.4855 728 A 4.5334 8.1116 122.3055 54.5717 18.2564 179.4343 729 R 3.1709 7.7686 117.2153 59.5351 29.9100 178.4552 730 N 4.2771 8.0678 115.9893 56.2173 38.3267 176.6356 731 N 4.3220 8.1946 117.3018 57.0259 38.9754 176.3618 732 A 4.2492 8.4671 122.2016 54.9506 18.5137 178.8906 733 E 3.9665 8.4482 118.0708 59.9781 29.4643 179.7771 734 V 3.7509 7.4971 110.2140 64.1049 31.7055 177.4696 735 Y 4.2025 7.8110 114.3145 57.9500 37.7824 176.2031 736 G 4.0212 7.9128 108.0603 46.2724 0.0000 174.0113 737 I 4.5708 7.5542 110.5660 60.0944 38.3562 177.3344 738 A 4.1649 8.2466 127.1013 55.8117 18.3948 180.2078 739 D 4.5129 8.0890 114.0633 55.5752 39.6975 177.1609 740 K 4.2616 8.0440 118.7989 56.8647 32.6150 175.8003 741 I 4.7939 7.4246 120.1913 59.2801 39.9170 174.7471 742 E 4.4862 8.9341 127.0443 54.8389 31.1426 174.9924 743 F 5.0976 8.7800 123.9854 56.4972 40.7705 175.4631 744 I 4.5750 9.0606 124.2291 59.5937 40.6362 174.0933 745 C 5.1134 8.3062 128.0761 58.7382 31.7032 172.5564 746 G 3.9535 7.9583 112.6741 46.2691 0.0000 170.3848 747 D 4.7519 8.0320 119.5776 53.2079 41.4102 176.1977 748 F 4.0379 8.9616 129.5470 61.8129 38.8970 176.9804 749 L 3.6721 7.9831 117.0256 57.1811 41.4282 178.7431 750 L 4.2923 7.7821 117.4609 55.9269 42.2048 178.0926 751 L 4.5053 7.4765 117.9716 56.2489 42.3224 178.2783 752 A 3.6911 7.3939 120.9991 55.2570 18.0097 179.5557 753 S 4.0020 7.4386 110.2291 60.0321 62.7919 174.8473 754 F 4.9631 7.6328 118.8404 56.9063 39.8396 174.8047 755 L 4.7190 7.5673 120.2597 52.7942 43.5764 175.8623 756 K 4.4208 8.1891 120.8278 54.7541 34.3230 175.1796 757 A 4.5193 8.0538 126.8387 51.4200 21.8214 175.2934 758 D 4.5868 8.5030 119.3523 56.3492 41.9446 177.4166 759 V 4.6683 8.0485 117.1603 60.9593 35.6706 174.3663 760 V 4.6399 8.3722 126.4924 61.0874 34.0649 173.8262 761 F 4.8579 9.2642 131.2858 56.7815 41.2176 174.1945 762 L 4.3163 8.1963 127.0323 52.7128 43.3375 175.9422 763 S 4.7950 7.9714 119.5957 56.0831 61.2928 171.1521 764 P 3.5279 0.0000 0.0000 60.1638 32.5828 174.7422 765 P 4.2792 0.0000 0.0000 62.8081 31.8316 177.2662 766 W 4.7227 8.4098 126.7164 56.1721 30.4568 175.4343 *774 A 4.0392 8.3685 124.8400 53.0445 18.6405 176.4017 775 E 4.1123 8.9441 123.8951 59.2559 30.1498 176.8002 776 T 4.8383 7.5830 112.7423 61.5580 71.9989 173.3325 777 F 4.4362 9.0607 127.7622 56.9403 40.9570 174.0090 778 D 4.9546 7.8249 126.8555 52.5970 41.7417 176.9572 779 I 3.7161 8.7426 121.5598 63.6937 38.1068 178.7432 780 R 4.1153 8.4293 120.8791 59.5032 30.5618 177.2884 781 T 4.1128 6.9606 108.8164 59.8458 67.3926 174.3961 *784 S 4.2117 7.6187 116.1240 58.0008 64.2927 173.0398 785 P 4.5374 0.0000 0.0000 61.8051 32.3365 175.5667 786 D 4.6152 8.5161 116.6879 53.9082 41.4918 177.7844 787 G 3.8333 9.1241 115.0529 48.5451 0.0000 175.1729 788 F 4.1137 9.0620 120.6933 60.2433 38.9679 177.4759 789 E 4.0687 8.5924 118.6937 59.2336 29.5904 178.4254 790 I 3.9728 8.1398 120.0826 64.7812 37.2994 178.1817 791 F 3.9250 8.1707 121.1923 61.0383 38.9902 176.9847 792 R 4.0093 8.1646 117.5415 59.7366 29.8405 178.2294 793 L 4.0309 8.0729 118.5581 57.7894 41.6451 179.6563 794 S 4.2122 8.0355 115.2537 61.3354 62.4161 176.5937 795 K 4.1406 7.7356 123.6009 58.5284 31.6329 179.0301 796 K 3.9891 7.4682 117.9624 58.9619 31.8902 178.8526 797 I 3.9688 7.1732 119.2187 62.7689 37.7476 175.7902 798 T 4.2216 6.4576 110.9481 61.6714 70.5745 173.2163 799 N 4.4405 8.6957 122.2008 55.0995 39.3483 175.8351 800 N 5.0114 8.0144 116.4778 52.4991 38.0758 173.3274 801 I 4.9729 8.2676 123.2353 59.1099 41.2136 174.1515 802 V 4.8442 8.6854 126.0902 61.2263 33.8521 173.4967 803 Y 5.0278 9.1839 129.2768 55.8593 41.2439 173.7938 804 F 5.2322 9.3229 130.7406 57.1806 40.4039 174.9005 805 L 4.3925 8.1838 125.3048 51.8779 46.3718 174.7973 806 P 3.5365 0.0000 0.0000 61.6224 31.7932 177.7942 807 R 3.6933 8.0771 117.1873 59.1316 29.4454 177.1106 808 N 4.6260 7.7306 113.9735 52.2318 37.5729 174.3472 809 A 4.2002 7.1841 121.6533 52.2480 18.9492 178.2548 810 D 4.4013 8.4706 121.1144 54.3736 41.8516 177.5403 811 I 3.7433 8.3302 129.1057 63.9057 37.1364 178.2044 812 D 4.3360 8.0608 120.0626 57.4028 40.4852 178.3364 813 Q 4.2171 8.2426 117.8606 58.4477 28.7231 178.8937 814 V 3.5306 7.8967 118.7663 66.0796 31.5048 177.9684 815 A 4.0598 8.2225 120.7355 55.0038 18.2722 179.6599 816 S 4.1567 8.5022 112.9706 61.3464 62.6837 176.7068 817 L 3.7028 7.3198 121.4238 57.1039 41.2281 177.9041 818 A 4.3060 8.3324 121.0621 52.5144 18.9605 177.2919 819 G 4.2669 7.9858 103.6811 44.6739 0.0000 171.3253 820 P 4.6437 0.0000 0.0000 61.8712 31.8664 176.4086 821 G 4.2209 8.1599 111.0233 43.8485 0.0000 172.5903 822 G 4.3752 9.5518 115.5170 43.5217 0.0000 170.5017 823 Q 5.6068 8.7886 121.1335 54.3715 30.5995 175.1791 824 V 4.3254 7.9669 123.0762 59.9467 35.2146 173.1974 825 E 4.6804 8.7284 124.9931 54.9423 31.6872 174.7108 826 I 4.2733 8.6523 128.8901 59.6368 38.3612 173.8137 827 E 4.8978 9.1069 129.5133 54.6965 30.8843 174.9187 828 Q 4.6885 9.1676 127.1938 54.9588 31.0175 174.5744 829 N 5.5877 9.1637 122.1285 51.9724 40.6405 173.8438 830 F 5.2497 9.4166 123.5248 55.5091 42.1613 174.5639 831 L 4.9043 8.6125 124.3300 53.7904 44.8836 176.1931 832 N 4.2307 9.7837 123.6389 54.6479 36.2066 174.5554 833 N 4.2455 8.3915 110.7444 53.6011 37.0404 174.1800 834 K 4.6079 7.9576 120.6018 54.2503 33.6620 175.3943 835 L 3.5177 8.4134 128.0092 55.0217 42.6649 175.2556 836 K 4.5512 8.7940 124.9855 57.7963 33.9489 176.1878 837 T 4.5559 7.3480 107.1275 60.6707 72.7235 171.6199 838 I 4.9535 8.4563 121.6274 59.7297 41.2813 175.3123 839 T 4.9333 9.3504 122.5260 61.8065 70.9895 172.9504 840 A 4.7550 8.8445 129.9925 51.3272 20.2678 175.4809 841 Y 5.1677 8.9304 120.8835 56.4610 40.7659 175.0536 842 F 5.0439 8.8691 120.5319 56.0413 44.0327 175.7644 843 G 3.9876 9.0156 107.1571 47.1248 0.0000 175.3417 844 D 4.7646 9.2713 123.6465 55.2203 40.9140 177.3888 845 L 4.3437 7.6233 119.9084 56.6074 41.9744 177.9976 846 I 3.9522 7.2839 118.8020 61.2148 37.5561 176.1995 847 R 4.1849 8.3286 120.0658 56.3051 29.2920 175.2605 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 4.51 0.00 2.08 2.08 0.00 3.63 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 1.94 2.26 0.00 650 L 8.16 4.64 0.00 1.69 1.60 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 651 G 8.24 4.92 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 0.00 0.00 0.00 652 S 8.69 4.60 0.00 3.94 4.04 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 0.00 653 R 8.60 5.01 0.00 1.81 1.89 0.00 3.22 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 654 L 8.82 4.53 0.00 1.72 1.52 0.96 1.08 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 0.00 655 F 8.99 5.25 0.00 2.89 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 656 S 9.06 4.94 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 8.62 5.18 0.00 1.91 1.84 0.00 3.06 0.00 0.00 3.41 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.89 0.00 658 F 9.80 4.97 0.00 3.08 3.11 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 0.00 659 D 7.70 5.11 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 9.02 4.60 0.00 2.78 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 0.00 661 G 8.11 4.10 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 0.00 0.00 0.00 662 I 8.29 4.32 2.03 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.66 0.98 0.00 0.00 663 K 9.62 4.77 0.00 1.85 2.00 0.00 1.36 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.41 7.81 664 L 8.60 4.77 0.00 1.73 1.71 0.54 1.18 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 8.87 4.72 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 8.36 4.14 0.00 1.93 2.09 0.00 3.01 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 1.61 1.65 0.00 667 E 8.35 4.20 0.00 2.41 2.22 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 2.36 2.36 0.00 668 G 8.08 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 8.30 4.76 0.00 3.49 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 8.85 5.27 0.00 3.08 3.02 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 0.00 671 S 9.49 4.89 0.00 3.75 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 0.00 672 V 8.41 4.64 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 0.87 0.00 0.00 0.98 0.00 0.00 673 T 8.35 4.80 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 0.00 674 P 0.00 4.36 0.00 2.10 2.04 0.00 3.58 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 2.06 2.11 0.00 675 E 8.02 3.84 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 676 K 8.09 3.94 0.00 1.96 2.08 0.00 1.87 0.00 0.00 2.15 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.90 1.75 7.81 677 I 7.85 3.49 1.92 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.85 0.97 0.00 0.00 678 A 7.71 3.71 1.13 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 0.00 679 E 8.39 3.77 0.00 2.04 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 2.37 2.44 0.00 680 H 7.89 3.99 0.00 2.74 2.79 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 7.89 3.72 1.75 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 1.61 0.58 1.04 0.00 0.00 682 A 7.83 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 683 G 7.92 3.60 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 0.00 0.00 0.00 684 R 7.86 4.02 0.00 2.09 1.95 0.00 2.96 0.00 0.00 2.93 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 685 V 8.18 3.72 2.35 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 1.04 0.00 0.00 1.26 0.00 0.00 686 S 8.11 4.30 0.00 4.11 4.04 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 0.00 687 Q 7.66 4.36 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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 0.00 763 S 7.97 4.79 0.00 3.72 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 0.00 764 P 0.00 3.53 0.00 1.94 1.03 0.00 3.96 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.74 0.00 765 P 0.00 4.28 0.00 2.21 2.04 0.00 3.46 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.14 0.00 766 W 8.41 4.72 0.00 3.30 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 *774 A 8.37 4.04 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 0.00 775 E 8.94 4.11 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 776 T 7.58 4.84 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 1.20 0.00 0.00 777 F 9.06 4.44 0.00 2.93 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 788 F 9.06 4.11 0.00 3.33 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 0.00 789 E 8.59 4.07 0.00 2.19 2.25 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 2.44 2.53 0.00 790 I 8.14 3.97 2.24 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 1.79 0.87 1.13 0.00 0.00 791 F 8.17 3.93 0.00 3.29 3.13 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 0.00 792 R 8.16 4.01 0.00 2.11 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 1.67 1.75 0.00 793 L 8.07 4.03 0.00 1.89 1.35 0.75 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 794 S 8.04 4.21 0.00 3.58 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 0.00 795 K 7.74 4.14 0.00 1.87 1.88 0.00 1.40 0.00 0.00 1.86 0.00 0.00 3.24 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.33 7.81 796 K 7.47 3.99 0.00 1.82 1.74 0.00 1.59 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.39 7.81 797 I 7.17 3.97 1.96 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 1.35 0.41 0.87 0.00 0.00 798 T 6.46 4.22 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 1.19 0.00 0.00 799 N 8.70 4.44 0.00 2.80 2.93 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 8.01 5.01 0.00 2.92 2.84 0.00 0.00 6.60 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 801 I 8.27 4.97 1.71 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.55 0.62 0.00 0.00 802 V 8.69 4.84 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 0.90 0.00 0.00 1.08 0.00 0.00 803 Y 9.18 5.03 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 9.32 5.23 0.00 3.03 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 0.00 805 L 8.18 4.39 0.00 1.20 0.93 0.61 0.27 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 3.54 0.00 1.17 0.84 0.00 2.26 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 0.49 0.44 0.00 807 R 8.08 3.69 0.00 1.74 1.89 0.00 2.92 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.48 0.00 808 N 7.73 4.63 0.00 3.03 2.99 0.00 0.00 6.16 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 0.00 809 A 7.18 4.20 1.04 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 0.00 0.00 810 D 8.47 4.40 0.00 2.88 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 0.00 811 I 8.33 3.74 1.95 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 1.67 0.83 0.98 0.00 0.00 812 D 8.06 4.34 0.00 2.86 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 0.00 813 Q 8.24 4.22 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.03 0.00 0.00 0.00 0.00 0.00 2.63 2.38 0.00 814 V 7.90 3.53 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 0.97 0.00 0.00 0.78 0.00 0.00 815 A 8.22 4.06 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 816 S 8.50 4.16 0.00 4.13 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 817 L 7.32 3.70 0.00 1.39 0.27 0.02 0.30 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 0.00 818 A 8.33 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 819 G 7.99 4.27 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 0.00 0.00 0.00 820 P 0.00 4.64 0.00 2.08 2.03 0.00 3.67 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 2.05 2.11 0.00 821 G 8.16 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 0.00 0.00 0.00 0.00 822 G 9.55 4.38 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 0.00 823 Q 8.79 5.61 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.65 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 824 V 7.97 4.33 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.24 0.00 0.00 825 E 8.73 4.68 0.00 2.03 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 2.28 2.23 0.00 826 I 8.65 4.27 0.66 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 0.50 0.43 0.68 0.00 0.00 827 E 9.11 4.90 0.00 2.36 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.32 0.00 828 Q 9.17 4.69 0.00 2.46 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.55 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 829 N 9.16 5.59 0.00 2.79 2.96 0.00 0.00 6.53 7.79 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 0.00 830 F 9.42 5.25 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 0.00 831 L 8.61 4.90 0.00 1.80 1.52 0.96 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 832 N 9.78 4.23 0.00 2.89 2.86 0.00 0.00 7.15 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 8.39 4.25 0.00 2.88 2.95 0.00 0.00 7.03 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 4.61 0.00 1.84 1.86 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.38 7.81 835 L 8.41 3.52 0.00 1.21 1.36 0.23 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 8.79 4.55 0.00 1.68 1.84 0.00 1.81 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.57 7.81 837 T 7.35 4.56 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 1.38 0.00 0.00 838 I 8.46 4.95 1.62 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 1.14 0.54 0.77 0.00 0.00 839 T 9.35 4.93 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 840 A 8.84 4.76 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 0.00 841 Y 8.93 5.17 0.00 2.80 2.90 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 0.00 842 F 8.87 5.04 0.00 3.16 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 9.02 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 0.00 844 D 9.27 4.76 0.00 2.78 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 7.62 4.34 0.00 2.05 2.09 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 846 I 7.28 3.95 1.89 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 1.34 0.52 0.89 0.00 0.00 847 R 8.33 4.18 0.00 1.81 1.79 0.00 3.06 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.46 0.00 * Residues marked with a * may have inaccurate shift predictions.