NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 552 I 4.3223 7.9248 113.6639 60.8141 39.0150 176.2137 553 S 4.4133 8.6385 117.3721 59.1482 61.0127 168.1781 554 S 4.7588 8.6160 124.0697 58.5255 63.3447 174.8379 555 E 3.9506 8.6118 118.1833 56.2125 28.8931 175.8223 556 T 4.4838 7.7092 124.9815 62.9687 70.8373 173.9361 557 G 4.0456 7.5941 116.7926 45.6056 0.0000 170.9314 558 E 4.9747 8.4963 118.4994 54.7919 31.6851 175.8446 559 M 4.7926 9.2405 121.2292 55.0624 34.1312 175.5317 560 G 4.2858 8.9815 107.5541 44.8351 0.0000 171.8024 561 I 4.3717 8.3040 124.2497 60.2698 38.6839 174.5185 562 L 5.1114 8.7601 129.7640 53.0254 44.5490 174.7904 563 W 5.5070 9.5851 126.4765 55.0529 31.9506 174.1801 564 E 5.3457 10.1070 126.2638 54.5058 32.1187 174.0536 565 F 4.4180 8.7806 128.5683 56.5013 41.1657 174.3324 566 D 4.3969 7.5519 125.9750 51.6535 41.9657 174.6280 567 P 3.9596 0.0000 0.0000 65.1590 31.6542 178.2469 568 I 3.7885 7.4352 117.9583 62.7607 37.9386 176.2110 569 I 4.1429 7.4449 110.7859 59.4976 38.5100 174.3732 570 N 4.0789 7.6412 118.7041 54.6056 37.7782 173.4609 571 K 5.0496 6.9398 113.9967 54.4525 37.4806 176.6642 572 W 5.2420 9.5782 123.2056 56.5320 31.0781 175.3526 573 I 4.9035 9.7709 124.5260 59.5811 39.5491 174.3430 574 R 4.5274 8.6397 127.2076 54.5467 31.8370 174.6647 575 L 5.0152 9.0587 125.8588 53.0545 46.6869 174.9996 576 S 5.2408 8.5661 113.2424 57.2580 66.6577 172.8729 577 M 5.1535 9.1755 117.2158 54.0616 35.2634 173.1416 578 K 5.1770 8.7943 120.8988 54.6146 35.0088 174.8094 579 L 5.2951 9.2836 126.3647 54.0526 44.8586 175.2219 580 K 4.8647 9.1091 121.3337 54.8011 34.6292 174.8507 581 V 4.5287 8.1775 127.3650 59.7066 33.1246 175.8855 582 E 4.1411 8.8779 124.0936 56.4603 29.5850 177.4284 583 R 4.0544 8.8444 122.6402 58.4271 30.5628 176.9868 584 K 4.8275 7.7691 115.4219 53.4214 34.8945 174.0758 585 P 3.7918 0.0000 0.0000 62.5058 31.7660 176.2847 586 F 4.5268 7.8744 114.4676 57.5379 38.8650 175.1563 587 A 4.3221 6.4016 122.9953 51.5787 21.6806 174.0774 588 E 4.9170 7.8786 116.3598 55.6666 31.8943 174.4628 589 G 3.9562 8.4182 106.6897 44.4907 0.0000 173.0194 590 A 4.2602 8.7965 121.0916 54.4047 18.8856 178.5701 591 L 4.8756 7.6061 114.7250 55.0492 45.1690 177.0899 592 R 5.0993 7.7454 115.5814 54.3955 35.0721 173.8347 593 E 4.8853 9.0771 120.7072 54.5506 32.4625 174.7541 594 A 4.9552 8.1602 125.8008 50.3513 21.3816 175.1243 595 Y 4.9694 9.0919 120.4737 56.0393 41.2090 175.2418 596 H 4.7076 9.2421 121.0412 56.5714 30.0645 174.5489 597 T 5.0408 8.7161 118.3865 61.6943 73.2327 173.1200 598 V 4.8753 8.4172 123.1815 59.9625 34.7910 174.6126 599 S 4.8479 9.3761 118.6075 57.6724 63.9990 174.0189 600 L 4.8621 9.0483 125.7808 54.8717 43.1059 176.5040 601 G 4.2159 8.3349 106.9889 44.5528 0.0000 173.2457 602 V 4.6779 8.2989 119.3730 61.0347 34.5615 174.8236 603 G 4.5389 8.7620 114.8661 44.9626 0.0000 171.7798 604 T 4.7587 8.5315 110.6732 60.8553 70.6265 174.2816 605 D 4.9492 8.3837 118.7060 53.0935 39.6541 178.1696 606 E 3.9710 7.7460 119.7388 59.3956 29.6300 177.7748 607 N 4.2765 7.8369 115.1548 54.6509 39.1300 174.7258 608 Y 4.7727 7.2929 115.5720 54.8424 37.9351 173.2525 609 P 4.3813 0.0000 0.0000 62.5289 32.6142 177.0587 610 L 4.1929 8.5762 122.5578 56.6729 43.4259 178.8236 611 G 4.0507 9.4110 105.2717 45.2902 0.0000 174.5642 612 T 4.5812 8.4434 115.3177 62.5239 69.9245 173.5899 *616 L 4.0306 7.9112 119.8753 54.1032 42.9726 177.1600 617 F 3.6613 8.5427 125.3641 57.6037 39.9107 172.9059 618 P 2.9700 0.0000 0.0000 59.9869 32.1467 174.4866 619 P 4.2559 0.0000 0.0000 62.3654 32.1534 177.0311 620 I 3.6391 8.5242 120.6323 64.3688 37.8101 177.5579 621 E 4.1094 8.0907 115.7339 58.4466 29.7773 176.9769 622 M 4.4578 8.3304 119.3658 55.3255 32.4803 175.1131 623 I 5.0007 7.5505 121.0396 59.1657 38.8943 175.5611 624 S 4.2750 9.1886 121.6174 57.6145 62.6073 172.5592 625 P 4.4170 0.0000 0.0000 64.6562 31.5926 176.3154 626 I 4.5026 7.6036 119.3102 59.5606 38.9515 175.1594 627 S 4.7101 8.4257 116.7662 57.6249 63.8740 174.5159 628 K 3.9382 8.3967 123.3848 59.2712 31.9234 176.3928 629 N 4.9715 7.7109 115.0979 51.4363 40.1993 173.6260 630 N 4.8225 8.0983 117.9814 50.9553 39.8011 175.0221 631 E 4.2057 9.8830 119.8288 59.4512 29.4204 179.5556 632 A 3.8176 8.6238 120.9898 55.3017 18.0827 179.5907 633 M 3.9556 8.3710 117.0104 58.0379 31.9968 178.4103 634 T 4.2414 7.6789 108.5027 64.3887 69.9379 176.8716 635 Q 4.2811 8.3567 119.8519 57.1207 28.7555 176.7537 636 L 4.5499 7.6272 119.8716 53.7017 42.7761 176.8696 637 K 4.0584 7.9260 117.4392 56.1406 33.1567 175.2867 638 N 4.4688 8.5719 117.6132 55.8675 38.8262 174.4244 639 G 4.1024 9.2246 114.5578 45.5514 0.0000 173.9703 640 T 4.0856 7.9970 117.4811 63.7520 69.4745 173.6327 641 K 5.0052 8.7301 126.0656 55.6227 33.6389 175.9003 642 F 5.1521 8.9049 119.1135 56.0715 42.2221 172.6604 643 V 5.0497 9.5655 118.4429 61.1380 34.1343 174.0324 644 L 5.3618 9.0430 129.2670 53.2520 44.9281 174.8936 645 K 5.2146 9.3514 125.3490 54.6393 35.1278 175.0738 646 L 5.0157 8.6204 124.2230 52.8311 45.2761 175.6657 647 Y 4.6252 8.6918 120.0179 58.1567 38.7373 176.1439 648 K 4.2502 8.6629 123.3405 56.6617 33.4613 176.4353 649 K 4.2722 8.7786 125.6483 57.1656 31.4527 176.6154 *652 E 4.4363 7.8641 114.9068 55.9389 31.3997 175.6679 653 Q 3.9065 7.9131 118.5987 58.0113 29.2168 176.1917 654 Q 3.6918 8.9963 121.3879 56.2479 25.6209 172.8168 655 A 4.2085 7.3007 120.1208 50.2534 21.0457 176.9733 656 S 4.7448 8.1731 117.3849 56.3828 65.6049 174.9133 657 R 4.2557 8.6004 119.5586 59.8811 29.5789 178.0339 658 E 3.5639 8.1229 117.7367 59.3638 29.4213 179.2588 659 L 3.8841 7.5532 117.4959 57.5885 41.6184 179.1325 660 Y 4.0202 7.7154 116.7556 61.1478 37.7339 178.6856 661 F 4.0223 8.1896 118.1443 60.3991 38.9774 177.3577 662 E 3.9204 8.4335 118.5811 59.5728 29.3194 178.9626 663 D 4.3553 8.2531 117.9410 57.2926 41.2590 178.5537 664 V 3.6574 7.8827 118.3384 65.8287 31.5653 177.7823 665 K 3.5505 8.5446 119.7597 59.6294 31.8401 178.1277 666 M 4.2796 8.3315 118.5072 59.0058 32.1255 177.9656 667 Q 3.8724 8.0797 119.3930 59.4849 29.2642 178.1465 668 M 4.0618 8.1575 119.7757 58.2888 31.9920 178.9111 669 V 3.7069 8.1946 118.6131 66.3340 31.6966 177.8441 670 C 4.1360 8.2801 116.6132 62.7509 27.7488 176.2276 671 R 4.1573 8.0628 119.7675 59.5454 29.7096 178.6765 672 D 4.3932 8.1039 118.3152 57.3604 40.8153 179.0162 673 W 4.3905 8.3673 119.4770 59.6127 28.9738 178.6881 674 G 3.9186 9.0319 106.2108 48.2227 0.0000 175.4682 675 N 4.4578 8.3960 119.3206 55.7276 38.3075 177.4685 676 K 4.0065 8.1647 120.1978 59.3907 32.6137 178.2224 677 F 3.5106 9.0727 121.3430 61.4521 39.3703 176.8022 678 N 4.3103 8.7758 116.3120 56.4922 38.1169 177.2705 679 Q 4.3210 7.9611 118.4079 58.5870 28.8586 178.4272 680 K 4.0791 7.7208 117.3004 55.6928 33.4299 176.4891 681 K 3.7244 8.0868 118.6803 56.7781 29.4444 172.6797 682 P 4.4628 0.0000 0.0000 61.2146 32.7612 175.3892 683 P 4.3324 0.0000 0.0000 64.6568 31.3362 176.7288 684 K 4.5506 7.7948 117.5952 53.9264 34.4706 176.1028 685 K 4.3879 8.6716 123.7384 56.3826 32.6512 175.8885 686 I 4.4895 8.6115 115.2212 59.4021 40.9011 174.3708 687 E 4.5731 7.8960 121.1212 55.2281 33.2342 173.6060 688 F 5.1171 8.7664 125.6216 56.0001 40.5944 175.8294 689 L 4.2743 8.7633 123.4534 54.6079 42.1409 177.2687 690 M 3.8550 8.5154 121.5013 56.1146 32.4512 175.6499 691 S 4.7860 7.3153 113.8077 56.8609 66.0773 172.8746 692 W 5.6060 9.1863 123.0586 55.2221 33.9931 174.1768 693 V 4.6363 8.6893 121.9208 62.0575 32.9227 174.9080 694 V 4.9867 8.6726 126.6358 61.2232 34.8922 173.8644 695 E 4.7578 9.1631 127.8363 55.2872 30.8513 175.7909 696 L 4.8832 8.9654 127.6818 53.7288 40.0668 177.5883 697 I 3.8676 7.9319 116.1525 63.0416 37.8650 177.7888 698 D 4.4725 8.1795 121.8391 56.2948 41.1494 176.6748 699 R 4.4246 7.3200 117.9025 54.6726 31.2820 176.5044 700 S 4.3502 8.2642 115.0598 57.2343 63.9016 172.4773 701 P 4.5691 0.0000 0.0000 63.1078 32.5529 175.8120 702 S 3.8174 9.0911 117.7799 60.2895 62.1524 174.5294 *704 N 4.5395 8.7245 126.9647 54.6673 39.7265 173.9503 705 G 3.7742 8.7335 113.3052 46.1686 0.0000 172.5743 706 Q 4.2392 7.5501 119.5610 53.8141 28.7281 174.0424 707 P 4.5003 0.0000 0.0000 62.7573 32.0579 175.9784 708 I 3.9577 8.2665 121.6609 61.4487 37.8734 175.0360 709 L 4.9813 8.2704 127.1583 53.5687 44.1284 175.1180 710 C 4.9447 8.3922 115.3014 57.7029 33.6983 172.3459 711 S 5.5725 8.8296 113.0295 56.6027 66.2621 173.1076 712 I 5.5276 8.8402 113.3319 59.7717 41.2572 173.9501 713 E 5.3557 9.6110 121.8324 54.3716 34.3579 173.1829 714 P 4.9517 0.0000 0.0000 62.5892 32.5852 175.6501 715 L 4.4225 8.5188 123.4242 54.2757 42.7775 175.9839 716 L 4.3231 8.6152 126.4048 53.8778 42.4917 176.2031 717 V 4.0946 9.8630 124.0104 63.1284 32.0022 175.4088 718 G 3.6841 8.1641 116.0565 44.4977 0.0000 170.2953 719 E 4.2893 8.3632 123.5298 55.6469 30.1515 176.9983 720 F 4.5620 8.9256 130.3964 57.3984 40.5071 174.8113 721 K 4.7585 8.1000 124.6132 54.4494 36.2052 174.8978 722 K 4.5350 8.7925 125.6333 55.7178 32.8355 175.7358 723 N 4.7094 9.4535 125.2171 54.4364 40.0806 174.6901 724 N 5.3765 7.6492 113.2476 51.2641 40.4944 173.2629 725 S 5.6739 8.3575 113.3431 55.9974 65.3451 173.4709 726 N 4.8965 8.6624 115.2919 53.1368 37.1358 175.3922 727 Y 4.7377 8.0475 119.4057 56.7402 38.9297 175.5736 728 G 3.8139 8.5523 107.7974 44.8296 0.0000 173.9978 729 A 4.0251 7.8182 123.3462 51.8107 19.0373 176.5927 730 V 4.4088 8.2254 121.8030 61.3665 32.4814 174.9178 731 L 4.4629 8.9536 128.2738 55.1296 42.6053 176.3389 732 T 4.7281 7.5040 106.4987 59.9135 71.7624 173.0502 733 N 4.6894 8.5095 116.5763 53.3353 39.1053 176.2253 734 R 4.0837 7.2750 116.9648 56.6578 31.0185 177.6203 735 S 4.3831 8.7721 117.9986 61.7824 63.0725 176.9386 736 T 4.0220 7.9640 117.9213 66.4364 68.3178 174.4830 737 P 4.1312 0.0000 0.0000 65.8093 31.2590 178.7126 738 Q 4.1949 8.1353 116.0694 58.8385 28.7329 178.2722 739 A 4.2212 8.3906 121.9833 54.9821 18.4432 179.4176 740 F 3.9821 8.5370 119.4854 61.5723 39.4810 177.4096 741 S 3.7364 7.8416 115.8870 60.9583 62.5495 176.2070 742 H 4.1713 8.5228 121.0203 59.3015 29.5749 176.6851 743 F 4.1945 8.9480 123.3510 61.8380 39.1647 177.2917 744 T 2.6913 7.5681 109.0174 64.3425 68.2549 175.5668 745 Y 3.8358 7.4284 122.3872 60.3873 38.6728 178.0395 746 E 3.6549 8.1603 119.7165 59.3628 29.7074 178.8045 747 L 3.8681 7.5969 117.5369 57.2296 42.0604 178.1598 748 S 4.6372 8.0096 112.1337 57.7946 63.2338 173.9145 749 N 4.0211 8.5698 117.3067 54.7385 36.2461 174.4260 750 K 3.5689 7.7628 112.5814 57.5259 30.2390 177.0328 751 Q 4.2983 7.6367 118.7350 57.3845 29.2524 176.0568 752 M 4.7797 7.6327 113.8251 54.0721 34.4419 174.0816 753 I 4.0649 8.2803 122.8843 58.8862 41.1192 174.0109 754 V 4.2859 7.9973 129.1668 61.6633 33.1611 174.5688 755 V 4.7099 8.1921 123.3648 60.6599 35.8663 174.6005 756 D 5.0825 8.4599 114.6347 55.2778 38.3826 173.8308 757 I 4.1018 8.3882 120.7377 61.1745 38.3380 176.4856 758 Q 4.7507 8.1698 122.8762 55.6256 31.2394 173.0886 759 G 4.5740 7.3722 106.1250 44.2221 0.0000 171.8471 760 V 4.4842 7.9823 120.4673 60.7484 34.4475 174.8248 761 D 4.1432 8.8719 127.1513 56.1967 40.2127 174.1972 762 D 3.9130 8.3081 124.7444 54.6395 42.1669 174.1423 763 L 4.3493 7.3701 119.9723 53.4519 43.3328 175.5860 764 Y 5.2447 8.3045 122.3160 56.7668 40.8103 174.8880 765 T 5.0471 8.7417 115.6438 60.4060 71.4145 172.2336 766 D 4.3922 8.5130 121.0367 54.6519 39.9521 170.8955 767 P 5.1274 0.0000 0.0000 61.8965 33.6221 175.7946 768 Q 4.5453 9.1464 120.0663 54.4131 32.8531 173.4348 769 I 4.6832 8.1738 125.6276 59.8178 40.0353 173.9691 770 H 5.4267 8.4933 124.0062 54.4213 31.0623 174.0674 771 T 4.9907 8.7653 111.9282 59.2166 71.6269 173.0326 772 P 4.2125 0.0000 0.0000 65.8736 31.3849 177.0721 773 D 4.5417 8.1408 113.7060 52.7860 39.8054 177.3130 774 G 3.9611 7.4558 107.3298 45.9131 0.0000 174.0275 775 K 4.2049 8.5781 119.7629 56.2538 33.2020 178.4968 776 G 3.5704 8.5762 111.7180 46.0222 0.0000 173.0670 777 F 3.7585 8.9508 116.0484 58.2779 36.2645 176.7525 778 G 3.8990 7.9664 109.2309 44.6056 0.0000 175.0783 779 L 4.0521 8.3129 117.3491 57.0660 41.6298 178.7332 780 G 3.6632 7.9529 105.7544 46.4280 0.0000 173.1677 781 N 4.7388 7.6579 117.9837 53.0994 38.2948 173.8497 782 L 4.5660 8.8804 125.4662 53.7840 43.0588 177.9527 783 G 4.3724 8.2702 107.6070 46.4007 0.0000 176.5674 784 K 3.9712 8.7163 117.7096 59.3431 32.0283 178.6299 785 A 4.1117 8.1106 120.7481 55.2243 18.4152 179.7135 786 G 3.3507 7.9472 104.1025 47.8729 0.0000 175.8291 787 I 3.7444 7.6785 122.3869 64.2048 37.2490 178.0637 788 N 4.2490 8.6734 117.4525 56.4926 38.5643 177.4704 789 K 3.7627 8.1119 120.7858 58.9949 31.9830 178.7637 790 F 3.9757 8.0776 121.0713 61.1355 39.1225 176.7623 791 I 3.3355 7.2913 118.4170 64.7437 37.0480 177.5897 792 T 3.9462 7.4408 107.9308 63.9685 68.9729 175.5315 793 T 4.0510 6.9198 109.4562 62.0761 69.4916 174.3725 794 H 3.9845 7.0536 123.5711 55.6474 30.2583 174.1178 795 K 4.6738 7.8724 125.6638 54.3712 34.3319 175.8076 796 C 4.5177 8.8633 121.5434 58.3471 31.0248 172.8811 797 N 5.2377 8.3653 117.2610 51.1073 40.2354 174.1461 798 A 4.0383 8.7632 118.6534 55.6837 18.4117 180.1003 799 V 3.5801 7.9591 116.3714 66.2859 31.7269 177.5894 800 C 4.0895 8.3926 116.0838 63.0315 27.9381 176.2425 801 A 3.9757 7.8914 121.5889 55.3313 17.8500 179.5334 802 L 3.9232 8.0488 116.4509 57.7087 41.7539 178.9058 803 L 4.3850 7.7325 115.8816 53.6652 41.9749 175.9271 804 D 4.4462 8.1121 117.5975 55.1299 40.1547 173.5960 805 L 4.6222 7.6946 116.0516 53.3307 42.7466 176.9541 806 D 4.4252 9.0394 121.9161 55.0805 41.0527 178.2427 807 V 3.7676 8.5225 121.9793 63.2745 30.9262 176.2854 808 K 4.4152 7.8668 119.3441 53.6116 32.0029 173.7676 809 L 4.6259 8.1753 121.1607 52.9729 42.7299 176.9081 810 G 3.7733 8.6122 112.5821 45.0569 0.0000 173.3517 811 G 3.9647 7.9641 113.8137 45.7288 0.0000 173.4740 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 552 I 7.92 4.32 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 1.42 2.04 0.92 0.00 0.00 553 S 8.64 4.41 0.00 4.02 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 0.00 554 S 8.62 4.76 0.00 3.96 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 555 E 8.61 3.95 0.00 1.96 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 556 T 7.71 4.48 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 0.00 557 G 7.59 4.05 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 0.00 0.00 0.00 558 E 8.50 4.97 0.00 2.05 2.01 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 2.33 2.23 0.00 559 M 9.24 4.79 0.00 1.84 2.15 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.66 0.00 560 G 8.98 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 561 I 8.30 4.37 1.91 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.80 0.65 0.00 0.00 562 L 8.76 5.11 0.00 1.59 1.38 0.68 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 563 W 9.59 5.51 0.00 3.45 3.62 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 0.00 0.00 0.00 0.00 564 E 10.11 5.35 0.00 2.52 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 2.32 2.39 0.00 565 F 8.78 4.42 0.00 1.51 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 0.00 566 D 7.55 4.40 0.00 2.55 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 567 P 0.00 3.96 0.00 2.10 2.18 0.00 3.54 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.22 0.00 568 I 7.44 3.79 1.80 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 1.31 0.70 0.91 0.00 0.00 569 I 7.44 4.14 1.82 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 1.16 0.74 0.86 0.00 0.00 570 N 7.64 4.08 0.00 2.88 2.92 0.00 0.00 6.88 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 571 K 6.94 5.05 0.00 1.66 1.77 0.00 1.75 0.00 0.00 1.92 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.65 7.81 572 W 9.58 5.24 0.00 3.66 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 0.00 573 I 9.77 4.90 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.78 0.97 0.00 0.00 574 R 8.64 4.53 0.00 1.12 1.49 0.00 2.47 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.50 0.00 575 L 9.06 5.02 0.00 1.55 1.61 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 576 S 8.57 5.24 0.00 3.92 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 577 M 9.18 5.15 0.00 1.87 2.14 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 578 K 8.79 5.18 0.00 1.85 1.67 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.46 7.81 579 L 9.28 5.30 0.00 1.80 1.91 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 580 K 9.11 4.86 0.00 1.80 1.68 0.00 1.61 0.00 0.00 1.88 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.34 7.81 581 V 8.18 4.53 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 0.72 0.00 0.00 0.79 0.00 0.00 582 E 8.88 4.14 0.00 2.10 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 2.38 2.41 0.00 583 R 8.84 4.05 0.00 1.80 2.01 0.00 3.20 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 584 K 7.77 4.83 0.00 1.80 1.68 0.00 1.83 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.36 7.81 585 P 0.00 3.79 0.00 1.76 0.87 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.93 0.00 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0.00 0.00 6.26 7.66 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 0.00 631 E 9.88 4.21 0.00 2.46 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 2.40 2.52 0.00 632 A 8.62 3.82 1.11 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 0.00 0.00 633 M 8.37 3.96 0.00 1.99 2.23 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 2.59 2.51 0.00 634 T 7.68 4.24 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 1.22 0.00 0.00 635 Q 8.36 4.28 0.00 2.37 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.43 0.00 0.00 0.00 0.00 0.00 2.50 2.62 0.00 636 L 7.63 4.55 0.00 1.28 1.12 -0.79 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 637 K 7.93 4.06 0.00 1.92 2.09 0.00 1.54 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.43 7.81 638 N 8.57 4.47 0.00 2.69 2.82 0.00 0.00 7.28 7.98 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 0.00 741 S 7.84 3.74 0.00 3.88 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 0.00 742 H 8.52 4.17 0.00 3.32 3.59 0.00 5.63 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 0.00 743 F 8.95 4.19 0.00 3.43 3.32 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 0.00 744 T 7.57 2.69 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 0.16 0.00 0.00 745 Y 7.43 3.84 0.00 2.85 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 0.00 746 E 8.16 3.65 0.00 2.17 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 2.23 2.29 0.00 747 L 7.60 3.87 0.00 1.47 1.71 0.82 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 748 S 8.01 4.64 0.00 4.11 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 0.00 749 N 8.57 4.02 0.00 2.83 2.87 0.00 0.00 6.92 8.13 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 0.00 750 K 7.76 3.57 0.00 1.68 1.62 0.00 1.49 0.00 0.00 1.49 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.30 0.79 7.81 751 Q 7.64 4.30 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.51 0.00 0.00 0.00 0.00 0.00 2.62 2.43 0.00 752 M 7.63 4.78 0.00 1.87 1.70 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 753 I 8.28 4.06 1.77 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 1.11 0.86 0.00 0.00 754 V 8.00 4.29 1.70 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 0.99 0.00 0.00 0.50 0.00 0.00 755 V 8.19 4.71 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 0.37 0.00 0.00 0.87 0.00 0.00 756 D 8.46 5.08 0.00 2.91 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 0.00 757 I 8.39 4.10 1.63 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.75 -0.21 0.00 0.00 758 Q 8.17 4.75 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 759 G 7.37 4.57 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 0.00 760 V 7.98 4.48 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 0.99 0.00 0.00 1.02 0.00 0.00 761 D 8.87 4.14 0.00 2.71 1.75 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 0.00 762 D 8.31 3.91 0.00 2.28 2.16 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 0.00 763 L 7.37 4.35 0.00 1.56 1.44 0.86 0.80 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 0.00 764 Y 8.30 5.24 0.00 1.72 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 0.00 765 T 8.74 5.05 4.41 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 1.58 0.00 0.00 766 D 8.51 4.39 0.00 2.87 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 767 P 0.00 5.13 0.00 2.02 2.25 0.00 3.59 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.43 0.00 768 Q 9.15 4.55 0.00 2.18 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.20 0.00 769 I 8.17 4.68 1.13 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.76 0.08 0.00 0.00 770 H 8.49 5.43 0.00 3.04 3.29 0.00 5.55 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 771 T 8.77 4.99 4.32 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 1.33 0.00 0.00 772 P 0.00 4.21 0.00 2.07 2.20 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.20 0.00 773 D 8.14 4.54 0.00 2.78 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 0.00 774 G 7.46 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 0.00 775 K 8.58 4.20 0.00 1.94 1.73 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.38 7.81 776 G 8.58 3.57 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 0.00 777 F 8.95 3.76 0.00 3.21 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 0.00 778 G 7.97 3.90 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 0.00 0.00 0.00 779 L 8.31 4.05 0.00 1.63 1.72 0.83 0.79 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 0.00 780 G 7.95 3.66 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 0.00 0.00 0.00 781 N 7.66 4.74 0.00 2.99 2.97 0.00 0.00 7.08 7.66 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 0.00 782 L 8.88 4.57 0.00 1.69 1.64 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 783 G 8.27 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 0.00 0.00 0.00 0.00 784 K 8.72 3.97 0.00 1.83 1.90 0.00 1.70 0.00 0.00 1.84 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.75 7.81 785 A 8.11 4.11 1.47 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 0.00 0.00 786 G 7.95 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 787 I 7.68 3.74 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.75 1.12 0.00 0.00 788 N 8.67 4.25 0.00 2.85 2.83 0.00 0.00 6.74 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 0.00 789 K 8.11 3.76 0.00 1.50 1.38 0.00 1.20 0.00 0.00 1.04 0.00 0.00 2.57 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.30 1.01 7.81 790 F 8.08 3.98 0.00 3.17 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 0.00 791 I 7.29 3.34 1.97 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 1.04 0.31 0.78 0.00 0.00 792 T 7.44 3.95 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 793 T 6.92 4.05 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 1.12 0.00 0.00 794 H 7.05 3.98 0.00 1.87 2.85 0.00 5.89 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 795 K 7.87 4.67 0.00 1.50 1.58 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.21 1.25 7.81 796 C 8.86 4.52 0.00 3.10 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 0.00 797 N 8.37 5.24 0.00 2.85 2.99 0.00 0.00 5.99 8.05 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 0.00 798 A 8.76 4.04 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 0.00 799 V 7.96 3.58 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 1.24 0.00 0.00 1.02 0.00 0.00 800 C 8.39 4.09 0.00 3.45 3.10 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 0.00 801 A 7.89 3.98 1.42 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 0.00 0.00 802 L 8.05 3.92 0.00 1.85 1.76 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 803 L 7.73 4.39 0.00 1.87 1.87 0.76 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 804 D 8.11 4.45 0.00 2.80 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 0.00 805 L 7.69 4.62 0.00 1.65 1.56 0.96 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 806 D 9.04 4.43 0.00 2.90 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 807 V 8.52 3.77 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 0.81 0.00 0.00 0.97 0.00 0.00 808 K 7.87 4.42 0.00 1.82 1.75 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.54 7.81 809 L 8.18 4.63 0.00 1.51 1.53 0.86 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 810 G 8.61 3.77 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 0.00 0.00 0.00 811 G 7.96 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 * Residues marked with a * may have inaccurate shift predictions.