NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 604 N 4.7281 8.4249 118.2216 51.2378 38.9085 174.2931 605 P 4.0250 0.0000 0.0000 63.1754 32.3154 174.7732 606 L 4.0082 9.5236 127.0826 56.0541 43.6379 175.2417 607 R 4.9112 8.7194 126.2769 54.6292 32.1130 175.3992 608 F 5.1442 9.1813 123.0273 55.7316 41.7546 174.8209 609 F 5.2321 10.0059 123.0946 55.9319 41.8409 174.2316 610 V 4.6570 8.8673 125.5758 61.0881 33.3780 174.2988 611 L 4.9342 9.0077 131.7353 54.7582 43.2546 175.1918 612 T 4.6723 8.4775 119.1442 61.6032 71.2065 173.6272 613 I 4.0335 8.2902 118.1594 61.3941 38.6756 176.1237 614 F 5.1521 8.2508 120.6743 54.8544 39.1904 173.6644 615 P 4.3314 0.0000 0.0000 66.0707 31.6801 178.1013 616 H 4.2928 8.4652 117.4339 59.2063 29.6792 177.0795 617 I 3.7675 7.7034 121.8735 64.0071 36.7141 178.4615 618 I 3.8156 7.8593 120.8793 64.4603 36.8709 178.3982 619 S 4.1536 8.1070 114.2316 61.8235 63.0571 176.0000 620 C 4.3080 8.2577 121.3179 62.6350 31.2629 175.0125 621 Y 4.0795 8.0256 120.4088 60.1564 38.4163 177.0362 622 S 4.3725 7.8360 114.3879 58.9831 62.9629 174.7685 623 E 4.2210 7.5983 120.2102 56.2864 29.9969 174.8032 624 Y 4.6495 6.8642 116.1596 55.8436 42.9565 175.7623 625 G 3.7822 8.5203 108.5310 46.8994 0.0000 175.6181 626 I 3.7893 8.1475 118.3626 64.0666 37.0890 178.2439 627 V 3.5712 7.6463 119.0100 65.8894 31.4770 177.8875 628 K 4.0103 7.7635 120.2556 58.7830 31.9555 178.6724 629 Q 3.8965 8.0996 119.8792 58.9657 28.9614 177.9256 630 A 3.9975 8.3212 122.2269 55.1886 18.3479 179.7259 631 I 4.1585 7.9120 119.7990 64.0486 37.0030 178.6094 632 K 3.9160 7.9343 119.0572 58.9326 31.9651 177.8410 633 K 4.4785 7.8308 116.6792 55.4932 32.1541 177.1472 634 G 3.9574 7.8430 106.3201 46.3714 0.0000 175.1724 635 K 4.3596 8.1488 119.9970 57.7146 33.1066 177.3588 636 V 4.8751 7.5996 111.5007 59.8189 36.5898 173.9998 637 E 4.8476 9.3223 121.2712 54.5954 33.9383 174.9573 638 V 4.6329 8.0919 122.0224 61.4033 34.2014 174.2254 639 Y 4.6571 9.6505 127.6150 55.4360 39.9837 173.3941 640 P 4.8821 0.0000 0.0000 62.5863 32.4701 175.7160 641 I 4.4692 8.9463 126.9730 59.4171 39.2669 174.8477 642 D 4.8781 8.8091 127.4639 53.5279 41.4252 176.5320 643 L 4.1700 8.6899 128.4003 58.1697 41.7139 179.8300 644 R 4.0739 8.6897 117.9505 58.6262 29.7681 177.9074 645 E 4.2452 7.9738 116.2934 56.9245 29.5227 176.9633 646 F 4.6461 8.1249 117.5485 56.6541 39.8822 174.2684 647 A 4.8368 7.6198 122.6773 49.4291 21.8229 175.8642 648 P 4.5584 0.0000 0.0000 62.0261 31.2758 173.6262 649 K 3.8762 8.9512 117.4541 59.2259 32.2810 177.1566 650 G 3.9385 10.3584 103.0009 46.5286 0.0000 172.4659 651 Q 4.0888 9.0779 120.7088 56.9483 27.3206 175.8866 652 V 4.5037 8.1135 115.5003 60.7887 33.2589 174.6304 653 D 5.2688 7.7795 119.0158 52.2391 42.8514 173.5985 654 D 4.6542 8.9871 118.8101 52.6714 45.7022 174.1583 655 V 3.9888 8.1144 121.5981 62.1212 32.0216 174.1698 656 P 4.4092 0.0000 0.0000 62.3391 32.4189 174.7472 657 Y 4.3577 8.2705 116.4593 57.4124 39.1688 176.2402 658 G 3.8073 9.3920 105.8242 45.6987 0.0000 172.9286 659 G 3.8635 7.8174 109.8606 45.3796 0.0000 173.2507 660 L 4.8668 7.8739 123.5883 51.8194 45.7730 176.3442 661 P 4.6449 0.0000 0.0000 59.6077 29.9155 176.9577 662 G 3.9797 6.6953 110.7858 47.0034 0.0000 168.8765 663 M 4.9704 7.8384 116.8941 53.5488 35.1982 174.7045 664 V 4.9363 8.8139 119.4521 60.8899 35.4920 174.5409 665 L 4.7507 8.5228 125.9697 54.5143 42.5029 177.1653 666 K 4.3246 8.5461 123.3329 55.9085 32.6388 176.4668 667 P 4.5067 0.0000 0.0000 65.8343 31.3571 178.6363 668 E 4.0490 8.3335 116.9323 59.4277 29.3889 177.6757 669 P 4.6397 0.0000 0.0000 65.1437 31.4159 178.8473 670 I 3.6779 7.7405 118.2083 64.6256 37.0055 177.9830 671 Y 3.8949 8.3138 117.7162 60.7576 37.6030 178.0777 672 E 4.0006 8.8150 120.6571 59.3230 29.9072 178.7711 673 A 2.7000 8.0301 121.2277 54.5926 18.1709 178.8171 674 Y 3.8902 8.0595 118.1808 61.0335 38.8090 177.9988 675 D 4.2572 8.4313 119.8591 57.7635 41.0302 178.2715 676 Y 4.0125 8.1238 119.8191 60.7975 38.5798 178.5955 677 V 3.4784 7.5660 118.8893 65.8556 31.4201 178.2420 678 V 3.6877 7.2310 118.4216 65.1834 31.2682 177.6814 679 E 3.9550 7.8641 117.8203 59.3534 29.5715 178.5197 680 N 4.1207 7.4624 114.3049 54.6834 38.8816 173.9905 681 Y 4.5612 7.5980 116.2919 55.7992 42.0987 174.2615 682 G 3.7964 8.3103 109.3117 44.7588 0.0000 172.3204 683 K 3.9170 8.3472 120.9883 55.7313 32.3382 174.6202 684 P 4.8881 0.0000 0.0000 61.7191 33.4976 175.3045 685 F 4.4772 9.3802 124.6338 58.0417 40.5206 174.3725 686 V 4.4894 8.6494 127.9695 61.9831 32.6310 174.3322 687 L 5.1796 9.4719 130.9424 53.2018 45.3611 174.6880 688 I 5.0034 8.5012 125.0411 59.2953 41.3956 173.9081 689 T 4.3965 8.8958 120.2701 60.0587 70.5026 173.7763 690 E 4.0823 8.1742 126.0224 54.2652 31.0910 176.1052 691 P 3.9749 0.0000 0.0000 64.5933 31.6613 178.0237 692 W 4.3788 6.3802 112.9910 55.5732 28.5077 174.6255 693 G 4.0217 7.6207 107.0279 43.0480 0.0000 174.5956 694 E 4.7964 8.1428 125.8999 54.4951 28.9627 176.1246 695 K 4.7212 7.4985 124.2393 55.2610 31.9817 175.0848 696 L 4.5551 7.7948 123.8985 54.5023 43.0887 176.1911 697 N 5.0127 8.0684 114.8569 50.6356 41.3534 174.8953 698 Q 3.9840 8.7760 119.4756 58.9271 28.5211 179.1735 699 K 3.8626 8.0888 120.2580 59.6988 32.2332 178.4815 700 L 3.9818 7.8503 118.3977 57.6887 41.5660 179.4041 701 V 3.5892 7.5145 118.2377 66.2002 31.2243 177.7180 702 N 4.4614 8.0829 116.0829 55.8467 38.5984 176.6670 703 E 4.0680 8.4421 120.2178 59.7730 29.5450 179.7282 704 L 3.8616 8.5172 119.2022 57.5268 41.5370 179.6139 705 S 4.1800 8.2829 114.3712 60.8812 62.5857 175.8130 706 K 4.3056 7.3729 119.8353 56.2533 32.2990 176.8301 707 K 4.3293 7.7202 119.9768 55.7445 33.6669 175.8572 708 E 4.6002 8.5093 116.8168 57.1799 32.9142 176.9027 709 R 5.1899 7.7913 117.7908 54.5891 34.5062 174.3851 710 I 5.1562 9.1044 124.8616 59.6921 41.0330 173.9458 711 M 5.3344 9.1284 127.0437 54.0108 34.5303 174.3348 712 I 4.8581 8.9008 127.6860 59.7704 39.8053 174.6817 713 I 4.4364 8.8403 129.4892 60.4280 38.7040 174.9469 714 C 4.6665 8.6347 125.9860 58.2352 28.6357 174.1663 715 G 3.7298 9.4090 113.2536 46.6071 0.0000 171.4078 716 R 4.4682 8.3107 117.5620 54.8815 34.6637 175.5414 717 Y 3.5997 7.9564 117.6576 59.6599 36.7850 172.8069 718 E 4.2758 9.0001 125.8911 58.1699 29.5960 175.4865 719 G 3.8302 8.2467 105.8661 44.4673 0.0000 172.6464 720 V 4.4932 7.2859 118.3117 60.4109 33.2577 175.2693 721 D 4.4296 8.2989 125.1659 55.0910 41.5366 177.5688 722 E 4.0602 9.0474 125.5065 59.6084 29.5173 179.4874 723 R 3.9867 8.1796 117.5287 59.0660 29.9995 179.0579 724 V 3.5660 8.0360 118.2673 65.5278 31.4333 177.9567 725 K 3.8996 8.2913 118.5541 58.9526 31.5652 179.1120 726 K 4.0537 7.5885 117.0296 58.1650 31.8874 177.5895 727 I 4.0987 7.2334 110.5446 60.1066 37.6782 175.1360 728 V 3.8930 7.3917 121.2779 62.4491 32.1866 175.3313 729 D 4.5148 8.5057 127.1980 56.2475 41.9534 176.6769 730 M 4.8069 7.4378 116.0945 53.9325 36.1315 173.1368 731 E 5.0176 8.5663 125.3200 54.0191 32.4738 174.9881 732 I 3.8827 8.3670 128.2808 61.5275 37.6948 176.0968 733 S 4.4562 8.8396 122.3130 58.0868 64.0948 173.6577 734 L 4.2618 8.7094 119.9810 56.0140 41.9392 177.6918 735 G 4.3792 8.3007 109.8524 44.8212 0.0000 173.9049 736 D 5.1669 8.9198 125.0923 53.7212 41.6020 175.3703 737 F 5.0419 7.5637 113.2448 55.4596 41.0202 173.4963 738 I 4.3121 8.3962 121.7749 59.5706 38.7917 175.6817 739 L 4.6731 8.0593 125.3225 53.2070 43.6805 176.5037 740 S 4.4481 8.3090 112.6087 58.0477 63.4401 173.6394 741 G 3.7827 7.1484 108.9895 44.7424 0.0000 173.9384 742 G 3.9740 7.8252 105.9438 44.0948 0.0000 175.5431 743 E 3.9171 8.0803 121.3416 59.8986 29.4361 179.1056 744 I 3.5483 7.6722 118.7440 64.4918 37.1627 178.5557 745 V 3.4863 7.6547 118.2350 65.6852 31.3179 177.6881 746 A 3.9020 7.9742 120.6626 55.0935 18.1490 179.5890 747 L 3.5478 7.8441 117.1653 57.8133 41.6247 179.3301 748 A 3.7965 7.9042 120.8766 55.4008 18.1926 179.7892 749 V 3.4624 7.7191 116.2992 66.2516 31.7222 178.0035 750 I 2.9652 7.6172 119.6850 64.3855 36.9887 177.8955 751 D 4.2906 8.5810 118.7515 57.2841 40.9743 177.9426 752 A 3.9905 8.0984 120.3725 55.2240 18.7046 179.4407 753 V 3.7416 8.3194 116.8817 66.3969 31.5475 178.1728 754 S 4.2216 8.1782 115.1135 61.7819 62.5365 176.7906 755 R 4.1700 7.8560 116.1967 57.9616 29.5006 177.4651 756 V 4.1732 7.2846 111.8665 61.0614 31.7681 175.7000 757 L 4.3713 7.6006 122.1755 52.9485 42.3528 174.7036 758 P 4.3042 0.0000 0.0000 64.2455 31.6927 176.6915 759 G 3.9413 9.0876 110.1564 45.2932 0.0000 173.8955 760 V 3.9078 6.6572 118.1053 64.6946 32.3294 176.9767 761 L 4.3335 8.0145 127.8615 54.6501 41.6090 179.2293 762 S 3.2594 7.3720 113.6478 57.9142 63.9489 174.4445 763 E 4.5883 9.2439 125.4407 55.5812 30.8486 172.6586 764 P 4.2134 0.0000 0.0000 63.3633 32.0110 174.9333 *779 Y 4.4163 7.9812 117.1846 55.8380 38.9191 173.3665 780 P 4.2699 0.0000 0.0000 62.9253 32.0638 176.2932 781 V 4.6594 7.7677 113.4919 59.9064 34.7945 174.6144 782 Y 4.7391 8.2898 118.1014 56.8041 41.8207 174.0512 783 T 4.7243 8.1491 114.7886 60.7854 70.9238 174.7111 784 R 3.6814 8.0607 122.5420 58.5305 30.8806 173.5699 785 P 4.2185 0.0000 0.0000 62.6398 31.4664 176.1153 786 R 4.0525 8.7471 124.7813 58.5700 30.3891 176.1971 787 E 5.1157 7.9318 117.0999 54.5852 32.6937 173.4112 788 Y 4.6630 9.2141 126.6486 57.1995 41.8058 174.9429 789 R 3.5288 8.9814 124.7241 57.0511 27.8035 177.5339 790 G 3.9458 8.3262 105.3258 45.6949 0.0000 174.2412 791 M 4.3901 8.3309 121.1240 54.5448 32.8052 175.1368 792 K 5.0931 8.3137 122.5143 54.1199 35.0840 176.3199 793 V 3.3025 8.3952 124.5653 62.0789 32.6484 173.6997 794 P 4.2006 0.0000 0.0000 62.8342 30.3727 176.7751 795 E 3.8692 9.1551 124.1210 59.4183 29.5512 178.9140 796 E 3.8107 8.1335 118.6791 59.6203 29.6572 178.8610 797 L 4.1643 7.7791 118.2734 56.9072 42.0165 178.4540 798 L 4.3072 7.5537 117.6651 55.4311 42.2926 176.0416 799 S 4.8891 8.0346 109.6720 56.6036 65.6692 174.5069 800 G 5.1888 7.9172 122.1014 47.0955 0.0000 174.0893 801 H 4.0659 7.8258 118.9509 58.7620 28.7976 175.8766 802 H 4.8574 7.5193 112.6937 55.6530 28.4849 175.8263 803 K 4.6400 7.7671 116.6047 57.1315 35.4071 178.8722 804 L 3.8946 7.7697 119.6672 57.6596 41.8291 178.4708 805 I 4.0524 7.5980 118.0218 62.8153 37.8081 177.9018 806 E 4.0232 8.1415 120.7267 59.3738 29.7434 178.4683 807 L 4.4104 9.1155 119.5397 57.5354 41.7812 178.9330 808 W 3.7206 7.6919 116.1284 57.5448 29.1511 178.5210 809 K 4.1655 9.3692 120.3119 59.0876 31.8413 178.3849 810 L 3.8799 8.0724 119.9308 58.6225 41.6728 179.0430 811 W 3.4922 7.4921 116.7962 59.6950 29.1553 177.6536 812 H 4.6256 7.5901 113.9085 58.3145 28.6586 177.6199 813 R 3.9963 8.2300 118.9870 58.7914 29.6784 176.5190 814 I 4.6179 7.7410 115.3977 60.3767 39.4067 176.6978 815 E 3.7900 8.3176 120.1516 58.3956 29.7114 177.4034 816 N 4.6750 8.0776 115.8475 55.1074 39.1787 177.1562 817 T 3.8465 7.8063 111.0330 65.0821 68.7171 176.6380 818 V 3.8515 7.1392 112.9921 62.6070 31.5842 177.9116 819 K 4.2502 7.7343 117.7696 57.6351 32.2610 177.5425 820 K 4.4999 7.3540 114.7879 56.0775 32.3637 176.2857 821 R 4.7071 7.3746 118.4703 54.7575 30.4407 174.1685 822 P 4.3108 0.0000 0.0000 66.0037 31.9000 176.6759 823 D 4.6438 7.9743 111.1267 54.5557 43.9497 177.3016 824 L 3.3692 7.8772 127.2090 57.2430 40.7755 176.6942 825 I 4.2664 7.9284 112.2421 62.5195 38.7014 175.5763 826 P 3.8595 0.0000 0.0000 64.8381 31.9718 176.3295 827 K 4.3785 7.7858 115.3159 56.9160 33.6247 177.8564 828 D 4.4147 7.9788 120.6666 56.8169 41.3217 177.6038 829 L 4.8132 7.7277 116.4395 55.7752 42.2249 177.9800 830 T 4.3374 7.6554 114.4405 64.9918 69.0427 176.3709 831 E 4.0960 8.0555 119.6102 59.4318 29.9043 178.7352 832 L 4.5532 7.6420 123.2994 55.9560 43.5088 176.9460 833 E 4.5935 7.6203 120.3819 52.7285 27.8954 176.9140 834 K 5.2640 7.8455 131.0734 57.1520 33.8295 173.7813 835 D 4.6539 7.2800 124.0809 55.1433 40.6158 176.6064 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 604 N 8.42 4.73 0.00 2.92 3.00 0.00 0.00 6.05 6.86 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 0.00 605 P 0.00 4.02 0.00 2.06 2.26 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 606 L 9.52 4.01 0.00 1.68 1.69 0.46 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 607 R 8.72 4.91 0.00 1.79 1.39 0.00 3.30 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.84 0.00 608 F 9.18 5.14 0.00 2.99 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 0.00 609 F 10.01 5.23 0.00 2.98 2.99 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 0.00 610 V 8.87 4.66 2.13 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 0.79 0.00 0.00 0.95 0.00 0.00 611 L 9.01 4.93 0.00 1.78 1.52 0.96 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 612 T 8.48 4.67 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 1.32 0.00 0.00 613 I 8.29 4.03 1.52 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 -0.36 0.75 0.00 0.00 614 F 8.25 5.15 0.00 3.02 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 0.00 615 P 0.00 4.33 0.00 2.33 2.38 0.00 3.87 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.08 0.00 616 H 8.47 4.29 0.00 3.25 3.41 0.00 5.69 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 617 I 7.70 3.77 2.09 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 1.44 0.74 0.89 0.00 0.00 618 I 7.86 3.82 2.03 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 1.57 1.73 0.91 0.00 0.00 619 S 8.11 4.15 0.00 4.09 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 0.00 620 C 8.26 4.31 0.00 3.01 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 0.00 621 Y 8.03 4.08 0.00 3.18 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 0.00 622 S 7.84 4.37 0.00 3.82 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 623 E 7.60 4.22 0.00 1.75 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 2.06 2.23 0.00 624 Y 6.86 4.65 0.00 2.96 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 0.00 625 G 8.52 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 0.00 0.00 0.00 0.00 626 I 8.15 3.79 1.88 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 1.52 0.96 0.92 0.00 0.00 627 V 7.65 3.57 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 1.11 0.00 0.00 1.07 0.00 0.00 628 K 7.76 4.01 0.00 1.85 1.86 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.80 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 1.14 7.81 629 Q 8.10 3.90 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 630 A 8.32 4.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 631 I 7.91 4.16 1.94 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.85 0.84 0.00 0.00 632 K 7.93 3.92 0.00 1.80 2.00 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.45 7.81 633 K 7.83 4.48 0.00 1.83 1.80 0.00 1.88 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.57 7.81 634 G 7.84 3.96 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 0.00 0.00 0.00 635 K 8.15 4.36 0.00 1.75 1.88 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.60 1.56 7.81 636 V 7.60 4.88 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 0.94 0.00 0.00 0.98 0.00 0.00 637 E 9.32 4.85 0.00 1.87 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.40 2.41 0.00 646 F 8.12 4.65 0.00 3.21 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 0.00 647 A 7.62 4.84 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 648 P 0.00 4.56 0.00 2.19 2.08 0.00 3.67 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 2.14 2.12 0.00 649 K 8.95 3.88 0.00 1.74 1.76 0.00 1.87 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.42 7.81 650 G 10.36 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 0.00 651 Q 9.08 4.09 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.71 0.00 0.00 0.00 0.00 0.00 2.53 2.32 0.00 652 V 8.11 4.50 2.11 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 0.73 0.00 0.00 0.97 0.00 0.00 653 D 7.78 5.27 0.00 2.53 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 654 D 8.99 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0.00 0.13 0.00 0.00 679 E 7.86 3.95 0.00 1.88 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 2.25 2.53 0.00 680 N 7.46 4.12 0.00 1.83 1.75 0.00 0.00 6.87 6.89 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 0.00 681 Y 7.60 4.56 0.00 2.63 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 0.00 682 G 8.31 3.80 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 0.00 0.00 0.00 683 K 8.35 3.92 0.00 1.68 1.73 0.00 1.80 0.00 0.00 1.80 0.00 0.00 3.15 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.43 7.81 684 P 0.00 4.89 0.00 2.16 1.93 0.00 3.56 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.67 0.00 685 F 9.38 4.48 0.00 3.06 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 0.00 686 V 8.65 4.49 2.05 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 0.74 0.00 0.00 1.08 0.00 0.00 687 L 9.47 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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 0.00 0.00 809 K 9.37 4.17 0.00 1.93 1.89 0.00 1.76 0.00 0.00 1.62 0.00 0.00 3.14 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.86 1.62 7.81 810 L 8.07 3.88 0.00 1.73 1.92 1.03 1.03 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 0.00 811 W 7.49 3.49 0.00 2.78 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 812 H 7.59 4.63 0.00 3.31 3.37 0.00 5.65 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 813 R 8.23 4.00 0.00 2.03 2.03 0.00 3.23 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 814 I 7.74 4.62 1.99 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 1.22 0.94 0.96 0.00 0.00 815 E 8.32 3.79 0.00 2.26 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 816 N 8.08 4.68 0.00 2.88 2.85 0.00 0.00 6.91 7.05 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 0.00 817 T 7.81 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 1.23 0.00 0.00 818 V 7.14 3.85 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 0.75 0.00 0.00 0.94 0.00 0.00 819 K 7.73 4.25 0.00 1.91 1.85 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.81 7.81 820 K 7.35 4.50 0.00 1.79 1.82 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.50 7.81 821 R 7.37 4.71 0.00 1.89 1.81 0.00 3.27 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 1.49 1.61 0.00 822 P 0.00 4.31 0.00 2.06 2.12 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 823 D 7.97 4.64 0.00 2.58 2.53 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 0.00 824 L 7.88 3.37 0.00 1.89 1.39 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 825 I 7.93 4.27 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 1.41 0.64 0.91 0.00 0.00 826 P 0.00 3.86 0.00 2.04 2.00 0.00 3.65 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 2.02 2.12 0.00 827 K 7.79 4.38 0.00 1.89 2.03 0.00 1.51 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.35 7.81 828 D 7.98 4.41 0.00 2.72 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 829 L 7.73 4.81 0.00 1.67 1.70 1.02 0.96 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 0.00 830 T 7.66 4.34 4.24 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 1.21 0.00 0.00 831 E 8.06 4.10 0.00 2.23 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 0.00 2.49 2.31 0.00 832 L 7.64 4.55 0.00 1.72 1.95 0.92 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 833 E 7.62 4.59 0.00 2.14 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 2.31 2.28 0.00 834 K 7.85 5.26 0.00 1.77 1.84 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.18 1.20 7.81 835 D 7.28 4.65 0.00 2.73 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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.