NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 613 A 4.0298 8.2229 123.5684 50.8665 20.8842 174.2234 614 K 4.1094 7.9841 124.1615 53.1936 31.2869 173.2373 615 E 4.8171 9.3912 127.3929 55.0266 31.3669 175.3528 616 I 4.6104 8.2803 127.0176 59.1354 40.5666 174.8711 617 D 4.4599 8.6786 125.8467 54.0532 41.2214 176.6893 618 A 4.2663 9.1305 129.8812 55.1856 18.4530 178.8154 619 S 4.3373 7.9306 108.8850 60.1951 63.4900 174.8930 620 C 4.3426 8.5708 119.5486 61.2729 28.8072 173.4277 621 I 4.5125 7.4237 122.8572 61.1736 37.6131 176.8176 622 K 4.5118 9.1746 131.0065 53.0230 34.2961 172.4134 623 I 4.1062 8.3547 126.7825 61.0730 37.7737 175.6799 624 E 4.4493 9.0199 124.3010 58.0277 32.2532 176.8267 625 K 4.6860 7.7546 118.7126 52.6889 35.6566 177.5784 626 V 4.3586 8.2887 124.3896 61.6173 30.4312 176.3368 627 I 3.8890 8.4966 125.7093 60.7584 35.9303 174.3472 628 G 4.0064 6.6451 104.6792 46.1740 0.0000 170.6808 629 V 4.5580 8.2071 118.4304 60.9899 34.0522 176.1396 630 G 4.2264 8.7895 117.1061 44.0252 0.0000 171.8982 631 E 3.9685 8.3057 118.5906 59.0818 30.2915 179.6598 632 F 4.2580 8.5384 117.1924 60.5980 40.3560 174.6545 633 G 4.2393 7.3086 107.0912 47.7540 0.0000 173.7530 634 E 4.8176 7.9661 120.6919 56.0880 32.1460 172.9525 635 V 4.8660 8.8336 118.8018 62.5321 34.9850 174.3092 636 C 5.6915 9.4983 126.6975 58.6436 32.6975 173.0240 637 S 4.4133 8.9927 115.7766 57.6441 64.6087 172.9841 638 G 4.3856 8.7508 119.0589 46.6894 0.0000 172.6936 639 R 5.0229 9.4445 124.6187 54.9247 34.5356 171.6443 640 L 5.1744 9.1678 124.9267 54.1876 44.5818 176.3660 641 K 4.8583 8.8056 129.2902 53.7835 34.3621 172.6594 642 V 4.0228 8.1638 116.4207 64.7322 33.8574 175.6747 *647 E 4.3445 7.9412 118.1214 55.9359 30.4539 174.1138 648 I 4.7906 8.0679 117.3547 59.4729 41.7476 173.6979 649 C 4.8056 8.5600 120.3365 59.7700 28.7942 173.3397 650 V 4.8345 8.2004 114.5135 60.4327 36.7889 173.2823 651 A 4.9417 9.4669 123.8744 50.8528 21.7325 176.3369 652 I 4.9617 8.4750 119.7377 59.6787 41.6774 174.6229 653 K 4.8843 9.1543 127.5469 54.9695 33.8081 176.0637 654 T 4.7717 8.5275 116.0372 60.8019 71.1696 173.6861 655 L 4.1920 7.9385 123.3996 53.1572 44.3226 176.3732 656 K 4.6492 8.0287 124.3722 55.7314 34.8250 175.8965 *659 Y 4.5573 8.6043 123.7281 55.2537 40.2524 174.3591 660 T 3.4189 7.1867 120.0681 62.3898 68.4330 172.2754 661 D 4.5164 8.5910 124.4931 57.6905 41.4358 178.6636 662 K 4.4613 8.1574 117.8352 55.9281 31.9150 181.8302 663 Q 4.8626 8.3391 116.4322 58.2176 31.5988 177.6344 664 R 3.9794 8.4987 117.3677 59.6533 29.8924 178.5064 665 R 3.9413 7.7394 114.3623 59.3932 29.1605 178.3460 666 D 4.8163 8.0619 120.1085 55.9320 40.9925 178.3118 667 F 3.2640 8.5366 121.2512 60.9229 39.6446 176.7795 668 L 3.9269 8.2535 118.8495 56.9635 41.7318 179.2598 669 S 4.0970 7.7605 114.2479 61.2932 62.6857 176.2800 670 E 3.9192 7.6672 121.5015 58.9714 29.2965 178.6230 671 A 3.9016 7.7691 121.0251 54.7710 18.1864 179.3968 672 S 3.8924 7.8337 110.3546 61.6510 62.7636 176.1391 673 I 3.5850 7.4385 121.8235 64.5581 36.4555 178.2004 674 M 4.0046 7.9684 118.7358 57.9857 31.7742 177.7760 675 G 3.6974 7.4959 104.1032 46.2022 0.0000 174.3122 676 Q 4.0106 7.2699 118.6630 56.4892 29.2195 175.7591 677 F 5.3010 6.8661 115.5619 56.1606 40.9395 175.8885 678 D 4.5732 8.4505 123.4400 53.6263 42.3073 173.4987 679 H 4.4869 7.9759 123.2555 53.3352 32.9300 172.6134 680 P 4.2861 0.0000 0.0000 65.1756 31.4902 176.5433 681 N 5.1246 8.2894 115.3830 52.5712 39.7274 174.5686 682 I 5.0119 7.7056 118.8378 59.6018 41.3096 175.4206 683 I 3.8969 8.1960 127.9399 62.5161 37.7554 175.1503 684 H 4.4772 10.1621 128.1056 55.7842 31.0895 173.5355 685 L 4.5649 8.1641 127.9826 54.2276 42.3357 175.8441 686 E 4.0227 9.4527 127.5287 57.8665 30.1556 177.3317 687 G 4.1180 6.9606 104.4435 45.1568 0.0000 171.4119 688 V 4.7720 7.6236 110.9573 59.6115 35.7064 175.2366 689 V 4.6766 8.5320 121.4084 61.5956 32.4152 175.5392 690 T 4.3007 9.4859 118.1682 62.8454 70.2457 176.8384 691 K 4.2522 8.2180 117.8361 57.4864 32.0338 175.7356 692 C 4.7225 7.9337 120.2444 58.4805 34.7970 173.4795 693 K 4.7741 8.2999 124.9224 51.9580 33.5502 175.5235 694 P 4.5759 0.0000 0.0000 61.7023 32.4957 176.2979 695 V 4.5534 8.3770 121.2524 63.1612 32.6846 174.5045 696 M 5.6151 8.6073 123.2350 54.3630 35.2661 173.1156 697 I 4.7582 8.6728 119.9100 59.5217 40.5283 174.7076 698 I 5.0568 8.5531 127.6380 59.8222 39.6441 174.9519 699 T 5.2295 8.6016 116.3155 59.2474 72.9455 172.8361 700 E 4.3949 8.8231 120.2019 56.8838 29.9838 176.3806 701 Y 4.4758 8.6105 123.3345 57.7580 40.1271 174.9283 702 M 4.3186 7.5719 124.1531 53.1664 34.2330 175.6960 703 E 3.5587 8.4994 124.0759 59.4083 29.6203 178.6894 704 N 4.4640 7.5797 112.2330 52.8254 39.9223 177.6821 705 G 3.6752 7.4765 107.4476 46.4195 0.0000 173.9269 706 S 4.5261 8.4492 117.5092 57.7013 63.7096 174.1707 707 L 4.1334 9.2630 132.0767 58.3951 41.9116 178.8065 708 D 4.4333 8.2263 118.1328 56.8338 39.1542 178.4160 709 A 4.0896 8.0739 122.3205 54.3705 18.1867 179.1890 710 F 4.3233 8.2739 118.7393 61.5610 39.6939 177.1300 711 L 4.2157 8.4526 118.9529 57.7936 41.2355 179.6320 712 R 4.1203 8.0987 119.6212 59.1787 30.0813 179.0706 713 K 4.3016 7.6786 121.6614 57.3465 32.5461 180.8113 714 N 4.9292 7.5223 115.4949 52.5800 39.4001 174.1204 715 D 3.6310 8.1417 117.2842 55.5940 41.5032 175.6767 716 G 3.5327 5.3800 113.8950 46.5948 0.0000 173.7590 717 R 4.2490 7.1917 115.7710 55.2562 30.6262 176.2583 718 F 5.3537 8.0200 116.8094 55.3881 42.2826 175.7333 719 T 4.3742 8.4379 114.6386 61.0509 70.9175 176.2204 720 V 3.5702 8.2308 120.4184 66.3484 31.4872 178.0821 721 I 3.7021 7.7307 119.0087 64.3973 37.0096 178.3516 722 Q 3.9455 7.9762 118.9303 58.8767 28.6914 178.6286 723 L 3.8712 7.9092 120.1097 57.6930 41.5321 179.7658 724 V 3.6844 8.1378 118.6715 65.8011 31.4373 178.2938 725 G 3.5910 8.2062 105.7038 48.0445 0.0000 175.5356 726 M 4.0280 7.8956 120.9414 58.2637 31.9131 178.9632 727 L 4.1252 7.8522 118.6221 57.4332 41.6262 179.5699 728 R 4.0195 8.2672 119.3615 59.3255 30.0340 178.8397 729 G 3.5704 8.0679 105.5024 47.8880 0.0000 175.6239 730 I 3.8386 7.9324 122.7794 63.9782 37.1634 178.7103 731 G 3.4244 8.5036 106.7046 47.9168 0.0000 175.5512 732 S 4.2711 8.3585 116.3460 61.0520 62.3052 176.5755 733 G 3.4010 8.1042 108.4323 47.8171 0.0000 175.7340 734 M 3.7106 7.7340 120.9523 57.6786 31.6194 178.7308 735 K 3.9400 8.1855 121.6081 58.6725 32.2158 178.4068 736 Y 3.9840 7.5772 119.5379 60.5553 38.7822 177.6915 737 L 3.6050 7.6513 120.0792 57.8692 41.4042 179.8321 738 S 4.1702 8.1597 114.1738 61.5709 62.5229 176.1985 739 D 4.3898 7.5750 121.7646 56.9620 40.6538 177.5922 740 M 4.2039 7.2466 116.2571 54.8893 31.9805 176.3996 741 S 3.7681 7.4317 111.8261 58.8851 61.6339 170.3244 742 A 4.7708 7.8989 120.6214 50.2319 20.3513 177.7275 743 V 4.5631 8.1744 120.7192 61.1372 33.5690 175.9769 744 H 4.4883 9.3279 127.2271 58.6495 29.8125 177.2541 745 R 4.4492 8.9193 114.0793 56.9289 28.3249 176.4116 746 D 4.7848 8.0137 115.5303 53.4805 41.9628 174.7361 747 L 3.8206 8.3890 119.4596 54.7574 42.6929 175.6878 748 A 4.4419 7.9695 125.5294 51.2781 21.8325 176.6727 749 A 4.0518 8.6898 123.4651 55.1875 18.5833 180.6695 750 R 4.2447 7.7642 110.3347 58.1427 29.7611 176.8509 751 N 5.1877 8.0581 115.5567 52.0835 40.0786 173.9759 752 I 4.8027 7.7509 120.9009 59.5556 40.2660 174.9873 753 L 5.0551 8.6373 127.0503 53.6205 44.0554 175.8259 754 V 4.7849 8.5448 121.0628 61.1504 35.1743 174.4780 755 N 5.2328 8.0351 124.0225 50.6208 40.0359 175.5753 756 S 4.2692 8.6971 112.6931 60.8493 62.7476 174.6843 757 N 4.6222 8.8117 118.3336 52.5760 38.4345 175.7800 758 L 3.7082 8.1093 117.0782 55.2174 39.6445 174.2836 759 V 3.8599 7.3479 120.3331 62.6527 32.2568 174.7016 760 C 4.8734 8.5694 126.2808 58.7886 29.4274 173.3667 761 K 4.7954 9.1693 122.8724 54.2458 35.7090 175.7032 762 V 3.9954 8.4734 125.0888 63.1420 32.4425 174.9670 763 S 4.6620 8.1867 124.3629 58.2517 65.9946 172.9733 764 D 4.2226 8.4784 112.1487 56.0061 37.3053 173.3856 765 F 4.7764 8.0481 119.0822 56.9627 39.8218 178.5769 766 G 3.6642 8.2264 112.7502 48.6184 0.0000 175.1010 767 M 4.2987 7.7491 116.4596 55.2658 32.9813 176.6304 768 S 4.6731 7.6787 118.3564 59.4767 63.9512 174.2335 769 R 4.8687 8.7846 122.4467 55.8047 32.9272 177.6823 770 V 4.2001 8.4592 120.4091 60.1481 33.3253 173.2050 *785 K 4.1028 7.9055 120.7251 55.5436 32.1739 179.2073 786 I 4.4224 8.1540 125.8519 57.7336 38.5649 174.2929 787 P 4.3625 0.0000 0.0000 63.2367 32.0341 177.2410 788 I 3.7678 8.7440 124.4178 64.4418 37.2009 178.0919 789 R 4.0721 8.1345 113.7717 57.2762 29.3095 176.6721 790 W 4.6915 8.2815 118.3607 57.1069 30.9564 175.7570 791 T 4.4582 7.6501 114.8470 62.2290 69.1764 175.2570 792 A 2.5800 7.8594 126.1799 50.5351 20.4897 176.7067 793 P 3.7742 0.0000 0.0000 65.8191 31.3840 178.8506 794 E 3.3500 7.7316 115.1871 59.3275 29.3150 178.8607 795 A 3.4611 7.0909 122.2147 53.9341 18.0499 179.5687 796 I 3.5979 6.9210 116.7394 64.9097 37.4607 177.6606 797 A 3.9968 8.0760 120.3318 54.1334 18.8123 177.7049 798 Y 4.6686 7.7924 117.3614 59.8606 38.6010 177.0090 799 R 4.0544 7.4996 110.8544 57.2812 27.4095 179.2834 800 K 4.3381 7.1434 123.7627 55.4646 31.7630 173.9930 801 F 4.5473 8.6215 124.9669 55.7403 40.7715 175.6382 802 T 4.7602 8.8717 115.3785 59.3736 71.7923 174.5002 803 S 4.4377 8.7421 115.0540 61.1822 62.6218 176.0236 804 A 4.0338 8.2151 125.4110 54.9299 18.1932 179.5244 805 S 4.2192 8.0481 112.2921 61.2982 63.1625 176.4277 806 D 4.6808 8.1963 122.4099 57.0568 40.6138 178.5408 807 V 3.2341 7.6796 119.0771 65.5848 31.4986 177.8233 808 W 4.6757 8.0203 129.3937 60.1360 30.4664 178.1015 809 S 4.7683 8.4209 116.3545 61.5273 62.3869 175.8625 810 Y 4.2945 9.1653 123.2390 60.7303 38.4889 178.4184 811 G 3.2483 8.5248 106.9326 47.9149 0.0000 175.6742 812 I 4.0192 7.9492 122.1820 63.9993 37.0202 178.6640 813 V 3.9723 8.1910 119.3170 66.3676 31.3506 177.7905 814 M 3.7819 8.1595 118.7488 58.1947 31.6921 178.5245 815 W 3.9965 8.0717 128.1241 60.5062 30.6930 177.8291 816 E 4.0335 8.6166 118.5788 59.4902 28.8444 179.2542 817 V 3.8257 7.9506 118.3504 66.3660 31.4453 177.9936 818 M 3.7685 7.8029 117.6688 57.2668 31.9215 177.4393 819 S 4.3132 7.0737 111.3060 57.1378 63.5785 173.4076 820 Y 3.4061 8.3046 117.6627 59.6188 35.2990 170.0095 821 G 3.8915 9.1383 103.0330 46.5426 0.0000 173.7360 822 E 4.2769 7.7396 119.5922 54.7058 30.7224 176.1201 823 R 4.0513 8.7035 125.7720 55.7255 30.4990 174.0500 824 P 2.9700 0.0000 0.0000 63.5204 31.7285 175.8707 825 Y 3.3390 6.2117 117.7623 57.4353 36.5574 170.9663 826 W 3.7988 6.5645 121.0391 57.7200 29.3895 175.8960 827 D 4.6890 9.1250 126.4743 55.4383 38.7046 176.4356 828 M 4.2453 8.2149 120.8973 55.5408 32.7174 176.8853 829 S 4.5189 8.5607 117.1206 57.7618 65.7714 175.1368 830 N 4.1879 8.6849 120.4633 56.8129 38.2682 177.4209 831 Q 3.9280 7.9474 120.2473 59.1564 29.2022 177.7705 832 D 4.2760 8.0352 119.9959 57.1860 40.8269 178.8800 833 V 3.1689 7.6750 118.6438 65.8686 31.4735 177.8773 834 I 3.5096 7.4900 119.3737 64.3174 37.0116 178.1692 835 K 3.8240 7.9537 119.8227 59.4778 32.0617 178.3523 836 A 3.9927 8.4531 121.2133 55.5387 18.2689 179.7057 837 I 4.0755 8.0863 119.8055 64.1555 36.9343 178.6070 838 E 4.0751 8.0139 118.5123 59.1725 29.3617 178.5650 839 E 4.2769 8.0700 116.7396 57.0006 29.8067 177.5825 840 G 4.0917 7.8786 107.3053 45.0469 0.0000 173.4411 841 Y 4.3186 8.1587 121.4810 57.5066 39.4691 174.7689 842 R 4.3193 6.8708 122.9981 53.7339 34.3328 175.0719 843 L 3.5917 7.3992 120.8758 54.4155 41.8793 175.7562 844 P 4.6435 0.0000 0.0000 61.3542 32.3058 173.9799 845 P 4.4099 0.0000 0.0000 61.6275 31.9988 174.7608 846 P 4.2602 0.0000 0.0000 62.2210 31.9118 175.3427 847 M 4.1904 8.3858 120.2425 57.4367 32.4228 175.9572 848 D 4.4633 8.7863 123.2938 54.9627 38.6499 172.9239 849 C 4.3134 7.8924 120.3615 57.7275 32.3978 172.2690 850 P 4.3164 0.0000 0.0000 62.7943 32.7004 177.0459 851 I 3.6806 8.4907 122.7543 64.7519 37.1183 178.3625 852 A 3.9785 8.0223 120.7242 55.2163 18.1926 179.5565 853 L 3.8361 7.7803 116.8072 58.2199 41.7671 178.9759 854 H 4.0634 8.0639 117.8965 59.2958 29.6639 177.0321 855 Q 3.7860 8.1918 121.4074 59.0179 28.8765 177.9436 856 L 3.9579 7.7011 121.3615 58.2895 41.7822 179.0032 857 M 3.2175 7.2254 117.9163 57.8214 32.0848 178.2493 858 L 4.0322 7.4341 119.1799 57.7945 41.7744 179.3375 859 D 4.2447 8.1010 118.9915 57.6590 40.7802 178.7148 860 C 4.1096 7.6743 116.6912 61.5438 27.6305 175.1143 861 W 3.7011 6.7959 118.9165 55.0276 29.5701 176.0886 862 Q 4.2069 7.4960 118.8327 55.6311 28.7310 176.1111 863 K 4.0214 9.0701 124.5838 59.7107 32.3741 176.5720 864 E 4.2053 8.1665 123.8008 55.3524 29.5899 176.9284 865 R 4.0747 8.9007 124.8414 59.3521 29.3735 178.9868 866 S 4.2419 8.3325 112.0868 60.5183 63.0799 174.7411 867 D 4.6061 8.1459 119.9885 55.1600 41.1753 177.1589 868 R 4.3926 7.4134 118.3970 54.9436 30.6596 174.8396 869 P 4.5095 0.0000 0.0000 62.5363 32.2960 176.9623 870 K 4.1649 8.7605 119.8060 55.8712 34.2524 178.4871 871 F 4.1837 8.6730 120.2888 60.7581 38.8627 178.3707 872 G 3.6399 8.0958 105.0347 47.9090 0.0000 175.7336 873 Q 4.0670 7.8974 119.9592 58.4511 28.7621 178.6678 874 I 3.6435 7.6527 121.0533 64.4345 37.2875 178.6311 875 V 3.6132 7.8224 119.0702 65.7910 31.4151 177.6108 876 N 4.2734 8.0744 116.5435 56.9850 38.7566 176.6989 877 M 4.0548 8.2324 120.3027 58.5706 31.9737 178.8463 878 L 4.0203 7.9829 118.9983 57.7173 41.6728 179.2843 879 D 4.3463 8.0431 118.6789 57.4542 40.4973 179.0813 880 K 3.9480 7.9929 118.1356 58.9761 31.7018 179.3703 881 L 4.1665 7.2319 120.4565 56.7418 41.7354 179.0615 882 I 3.9409 7.9004 121.6888 65.1003 37.2150 178.8711 883 R 4.1970 8.5054 120.5573 60.0276 30.5784 178.4269 884 N 5.1562 7.6078 116.6914 49.9415 38.5290 172.9039 885 P 4.2121 0.0000 0.0000 65.6777 31.9786 178.5519 886 N 4.4518 8.0945 113.8817 55.5538 38.2240 175.7342 887 S 4.4005 8.4623 112.4824 58.8090 63.6853 174.4290 888 L 4.2952 7.8358 126.7692 55.0571 41.6180 176.0372 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 613 A 8.22 4.03 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 0.00 614 K 7.98 4.11 0.00 1.97 1.90 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.31 1.06 7.81 615 E 9.39 4.82 0.00 1.94 1.86 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 2.28 2.39 0.00 616 I 8.28 4.61 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.78 0.91 0.00 0.00 617 D 8.68 4.46 0.00 2.73 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 0.00 618 A 9.13 4.27 1.32 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 0.00 0.00 0.00 0.00 0.00 619 S 7.93 4.34 0.00 3.94 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 0.00 620 C 8.57 4.34 0.00 3.04 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 0.00 621 I 7.42 4.51 1.87 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 1.09 0.36 0.91 0.00 0.00 622 K 9.17 4.51 0.00 1.35 1.68 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.25 1.25 7.81 623 I 8.35 4.11 1.87 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 1.35 0.95 0.92 0.00 0.00 624 E 9.02 4.45 0.00 2.08 1.87 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 2.25 2.38 0.00 625 K 7.75 4.69 0.00 1.56 1.59 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 1.22 7.81 626 V 8.29 4.36 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 1.04 0.00 0.00 0.95 0.00 0.00 627 I 8.50 3.89 1.87 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 1.35 0.80 0.91 0.00 0.00 628 G 6.65 4.01 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 0.00 629 V 8.21 4.56 2.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 661 D 8.59 4.52 0.00 2.73 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 0.00 662 K 8.16 4.46 0.00 1.82 1.70 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.03 7.81 663 Q 8.34 4.86 0.00 2.54 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 664 R 8.50 3.98 0.00 1.93 2.06 0.00 3.27 0.00 0.00 3.49 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.74 0.00 665 R 7.74 3.94 0.00 2.18 2.22 0.00 2.86 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.75 0.00 666 D 8.06 4.82 0.00 3.16 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 0.00 667 F 8.54 3.26 0.00 2.29 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 0.00 668 L 8.25 3.93 0.00 1.66 1.60 0.94 0.80 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 2.13 2.16 0.00 677 F 6.87 5.30 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 0.00 678 D 8.45 4.57 0.00 2.55 2.57 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 0.00 679 H 7.98 4.49 0.00 1.61 2.54 0.00 5.74 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 680 P 0.00 4.29 0.00 1.97 2.03 0.00 2.90 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.96 0.00 681 N 8.29 5.12 0.00 2.60 2.81 0.00 0.00 6.92 7.42 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 0.00 682 I 7.71 5.01 2.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.42 1.08 0.00 0.00 683 I 8.20 3.90 2.03 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 1.28 0.75 0.97 0.00 0.00 684 H 10.16 4.48 0.00 3.23 3.20 0.00 5.76 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 685 L 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0.00 0.00 0.00 0.00 0.00 710 F 8.27 4.32 0.00 3.12 3.41 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 0.00 711 L 8.45 4.22 0.00 1.97 1.80 1.01 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 712 R 8.10 4.12 0.00 1.85 2.03 0.00 3.30 0.00 0.00 3.33 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.91 0.00 713 K 7.68 4.30 0.00 1.82 1.71 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.34 7.81 714 N 7.52 4.93 0.00 2.29 2.07 0.00 0.00 6.44 9.28 0.00 0.00 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 D 8.14 3.63 0.00 2.44 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 0.00 0.00 0.00 0.00 716 G 5.38 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.19 4.25 0.00 1.27 1.43 0.00 2.93 0.00 0.00 2.97 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.41 0.00 718 F 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0.00 0.00 2.61 2.42 0.00 823 R 8.70 4.05 0.00 2.06 1.92 0.00 3.48 0.00 0.00 3.47 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 824 P 0.00 2.97 0.00 1.23 0.83 0.00 3.51 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.79 0.00 825 Y 6.21 3.34 0.00 2.96 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 0.00 826 W 6.56 3.80 0.00 3.57 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 0.00 827 D 9.12 4.69 0.00 2.85 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 0.00 828 M 8.21 4.25 0.00 1.99 2.32 0.00 0.00 0.00 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.49 0.00 829 S 8.56 4.52 0.00 4.07 3.97 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 0.00 0.00 0.00 830 N 8.68 4.19 0.00 2.73 2.89 0.00 0.00 6.51 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 831 Q 7.95 3.93 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 832 D 8.04 4.28 0.00 2.87 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 0.00 0.00 0.00 833 V 7.67 3.17 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 -0.02 0.00 0.00 0.46 0.00 0.00 834 I 7.49 3.51 1.92 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 1.29 0.77 0.84 0.00 0.00 835 K 7.95 3.82 0.00 1.84 1.90 0.00 1.52 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.65 7.81 836 A 8.45 3.99 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 837 I 8.09 4.08 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.29 1.12 0.00 0.00 838 E 8.01 4.08 0.00 2.14 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 2.49 2.48 0.00 839 E 8.07 4.28 0.00 2.16 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 0.00 2.36 2.48 0.00 840 G 7.88 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 0.00 841 Y 8.16 4.32 0.00 3.11 2.98 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 0.00 842 R 6.87 4.32 0.00 1.62 1.66 0.00 3.25 0.00 0.00 3.05 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 843 L 7.40 3.59 0.00 0.84 0.93 -1.24 -0.66 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 0.00 844 P 0.00 4.64 0.00 2.36 2.24 0.00 3.99 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 845 P 0.00 4.41 0.00 2.12 1.74 0.00 3.77 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.87 0.00 846 P 0.00 4.26 0.00 1.96 1.60 0.00 3.53 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.03 0.00 847 M 8.39 4.19 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 848 D 8.79 4.46 0.00 2.89 2.79 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 0.00 849 C 7.89 4.31 0.00 2.86 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 0.00 850 P 0.00 4.32 0.00 2.17 1.95 0.00 3.63 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 2.09 2.17 0.00 851 I 8.49 3.68 1.87 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 1.58 0.64 0.92 0.00 0.00 852 A 8.02 3.98 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 0.00 853 L 7.78 3.84 0.00 1.84 1.66 0.87 0.97 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 0.00 854 H 8.06 4.06 0.00 3.20 3.44 0.00 5.59 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 855 Q 8.19 3.79 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 856 L 7.70 3.96 0.00 1.85 1.72 0.84 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 857 M 7.23 3.22 0.00 0.51 1.69 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.11 0.00 858 L 7.43 4.03 0.00 1.70 1.64 0.91 1.07 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 0.00 859 D 8.10 4.24 0.00 2.66 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 0.00 0.00 0.00 860 C 7.67 4.11 0.00 2.43 2.80 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 0.00 861 W 6.80 3.70 0.00 3.04 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 0.00 0.00 0.00 862 Q 7.50 4.21 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.87 0.00 0.00 0.00 0.00 0.00 2.43 2.30 0.00 863 K 9.07 4.02 0.00 1.81 1.95 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.58 7.81 864 E 8.17 4.21 0.00 2.13 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 2.40 2.53 0.00 865 R 8.90 4.07 0.00 2.06 2.23 0.00 3.02 0.00 0.00 3.42 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 866 S 8.33 4.24 0.00 4.04 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 0.00 867 D 8.15 4.61 0.00 2.84 2.77 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 0.00 0.00 0.00 0.00 868 R 7.41 4.39 0.00 1.91 1.83 0.00 3.28 0.00 0.00 3.63 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.89 0.00 869 P 0.00 4.51 0.00 2.07 1.97 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.87 0.00 870 K 8.76 4.16 0.00 1.84 1.76 0.00 1.52 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.50 7.81 871 F 8.67 4.18 0.00 3.03 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 0.00 872 G 8.10 3.64 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 0.00 873 Q 7.90 4.07 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 874 I 7.65 3.64 1.92 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.60 0.82 0.00 0.00 875 V 7.82 3.61 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 1.03 0.00 0.00 0.95 0.00 0.00 876 N 8.07 4.27 0.00 3.10 2.89 0.00 0.00 7.18 7.11 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 0.00 877 M 8.23 4.05 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.57 0.00 878 L 7.98 4.02 0.00 1.73 1.73 1.06 1.16 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 0.00 879 D 8.04 4.35 0.00 2.91 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 0.00 880 K 7.99 3.95 0.00 1.98 1.86 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.63 7.81 881 L 7.23 4.17 0.00 1.77 1.71 0.91 0.79 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 0.00 882 I 7.90 3.94 1.98 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 1.38 0.76 0.91 0.00 0.00 883 R 8.51 4.20 0.00 1.87 1.86 0.00 3.21 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 884 N 7.61 5.16 0.00 2.89 2.74 0.00 0.00 6.96 7.70 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 0.00 885 P 0.00 4.21 0.00 2.17 2.13 0.00 3.60 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.32 0.00 886 N 8.09 4.45 0.00 2.71 2.88 0.00 0.00 6.93 7.57 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 0.00 887 S 8.46 4.40 0.00 3.98 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 0.00 888 L 7.84 4.30 0.00 1.81 1.57 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.