NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 517 D 4.6072 8.2076 120.1907 54.0683 42.3029 178.7107 518 K 3.9422 6.9425 121.9353 58.2182 32.7104 176.3489 519 R 3.9325 8.8521 120.9683 59.0907 30.1552 179.4931 520 R 3.9909 7.6735 118.1625 59.1500 30.1980 178.8077 521 K 4.0194 8.1843 118.3156 59.2756 31.9894 179.6602 522 T 3.9477 7.7962 115.8747 66.4786 68.2933 176.6768 523 L 4.0381 7.9323 120.3317 56.9715 41.4323 179.4157 524 V 3.7622 7.2395 118.1672 65.2987 31.6402 177.9296 525 I 3.7139 7.5269 119.1573 64.3756 36.9388 178.2108 526 I 3.7372 8.0417 120.9412 64.6034 36.9770 178.3261 527 E 3.9820 7.8641 118.7085 59.4862 29.4787 179.4832 528 K 3.9717 8.3585 118.7454 59.9174 32.0050 179.3939 529 T 4.1678 8.1016 115.7655 66.3811 68.6366 176.5131 530 Y 3.9297 8.8367 121.6921 60.2765 38.6205 177.7993 531 S 4.2134 8.2683 114.5526 61.0006 62.3654 176.1005 532 L 3.9673 7.4763 120.6557 57.4948 41.4165 178.8815 533 L 3.7216 7.9358 120.4466 58.3717 41.7639 179.0161 534 L 3.9855 7.2628 116.9430 57.8511 41.7540 179.1740 535 D 4.3503 7.6819 118.9155 57.4568 40.9966 178.8285 536 V 3.7184 8.0052 118.8241 66.2024 30.9762 177.7652 537 E 4.2597 8.6060 118.1067 58.6352 29.4146 178.4071 538 D 4.0859 8.0161 118.3696 57.0209 41.1152 177.5629 539 Y 3.5255 7.5007 116.6398 60.9365 37.0009 178.3885 540 E 4.2804 7.9028 118.6697 58.6624 29.2746 179.2643 541 R 4.1222 7.9355 119.4353 59.2273 30.1033 178.0367 542 R 4.0071 7.5138 114.4233 57.6154 30.6051 177.8167 543 Y 4.6360 8.1301 118.0917 60.9406 37.9621 177.3814 544 L 4.1775 7.4054 119.7415 57.2899 42.5457 178.2104 545 L 4.0888 7.3878 120.7517 57.7980 42.8916 177.0674 546 S 4.6302 7.6800 114.0463 57.4396 60.9976 173.9224 547 L 4.4018 7.4839 119.0768 55.6969 42.6571 177.8340 548 E 4.2987 7.6899 115.2009 56.6881 32.2680 175.4067 *554 L 4.1336 7.7394 118.7380 55.1659 42.9188 176.1324 555 M 4.1868 8.8942 125.1567 55.9913 32.7289 175.5427 556 D 4.3196 8.2346 115.1115 55.1461 38.5634 172.3257 557 D 4.9325 8.1170 121.9800 53.4833 42.2771 178.6194 558 R 3.5345 7.5608 119.3834 58.6297 30.2873 176.9841 559 K 3.9958 7.8586 118.8928 59.9485 32.2028 177.8202 560 H 4.0887 8.3137 117.8770 59.5626 29.6226 176.9569 561 K 3.9861 7.8265 118.8594 58.8428 31.9997 179.5260 562 I 3.6855 7.6827 120.4355 64.7261 37.0882 178.2533 563 C 4.2944 8.0451 116.9379 62.6833 28.0290 176.2329 564 S 4.2961 7.6752 118.3268 61.4820 62.5127 176.4824 565 M 4.0943 8.1037 121.2230 58.5893 31.6780 178.3980 566 Y 4.1408 8.0139 119.3118 60.7132 39.1045 177.0727 567 D 4.5192 8.2710 118.1547 54.6517 39.3795 177.8861 568 N 4.4498 7.7276 118.3561 56.6523 38.8447 176.9571 569 L 4.4092 7.6763 118.9506 56.2852 43.0338 177.7465 570 R 4.4639 7.8173 117.5236 54.2051 30.4209 176.3541 571 G 3.7223 7.7567 115.1756 44.8862 0.0000 173.4400 *578 R 4.0762 7.3864 114.5249 54.9822 30.2964 173.1819 579 P 4.3817 0.0000 0.0000 63.6617 32.3855 176.1623 580 S 4.7580 8.0769 112.4858 56.8485 64.1920 174.0255 581 D 4.6176 8.4408 123.1468 56.7584 40.6126 178.4817 582 D 4.3950 8.1843 119.5396 57.9025 40.6352 178.0100 583 H 4.1080 8.2773 116.5248 59.4110 30.1973 176.5864 584 F 4.3047 8.2025 121.6455 61.3244 39.4667 177.0215 585 V 3.5374 8.2266 118.2516 66.3268 31.2000 177.9383 586 Q 4.0082 8.2032 117.4883 59.1430 28.4996 178.9417 587 I 3.7130 7.5233 120.0527 63.8962 36.7456 177.2685 588 M 4.3843 7.1437 117.5175 55.2232 32.0078 176.2888 589 C 4.4995 7.7456 116.4658 59.5145 30.1358 174.3081 590 I 4.2607 7.2946 121.7319 59.4510 38.7385 175.8507 591 R 3.8136 8.6300 124.9055 59.8091 29.7877 178.3363 592 K 4.0624 7.9777 118.7142 59.2057 32.1962 178.9425 593 G 3.8490 7.8509 107.0501 47.0945 0.0000 175.7651 594 K 3.9272 8.1166 120.8786 59.2419 31.9578 179.3066 595 R 4.0763 7.8927 116.6674 58.3086 30.2605 177.5301 596 M 4.3255 7.8426 118.0170 58.6382 32.7214 177.9859 597 V 3.6941 8.1045 118.3840 65.9969 31.3737 177.8066 598 A 3.8895 7.4873 118.7350 55.0380 18.2652 179.4149 599 R 4.1196 7.7452 115.4167 58.7497 30.5277 178.7254 600 I 4.2712 7.6394 119.4692 63.8565 37.3525 177.7782 601 L 4.0073 7.8912 120.2508 57.4358 41.2497 177.7442 602 P 4.1357 0.0000 0.0000 65.7745 31.0394 177.8239 603 F 4.4711 7.7447 115.6485 58.0557 39.2978 176.0789 604 L 4.2829 7.0777 118.3384 53.9193 42.3600 177.3489 605 S 4.2785 8.6894 115.0491 58.1986 64.2211 175.3241 606 T 3.9105 8.3632 123.5830 66.8684 68.4522 176.1391 607 E 3.8957 8.1815 120.4297 59.5366 29.5601 178.7337 608 Q 3.6661 7.8428 116.9030 58.8757 28.8075 178.3818 609 A 4.0473 8.6897 122.1012 55.4118 18.4138 179.6070 610 A 4.0234 8.4867 119.4610 55.1530 18.3654 179.3872 611 D 4.3177 7.9901 116.5938 57.5593 41.2997 178.5588 612 I 3.4080 7.7458 120.4206 64.0613 37.0697 178.2349 613 L 3.7361 8.2064 121.2875 58.1165 41.8309 178.6400 614 M 3.9580 8.3631 119.1110 59.0698 31.7750 179.0514 615 T 3.8973 7.7369 113.9365 66.7712 68.7918 176.7720 616 T 4.2371 8.0170 117.7783 66.5766 68.7397 176.4001 617 A 4.0188 8.4318 122.9258 55.5054 18.2125 179.5670 618 R 4.1247 8.1292 115.9715 58.6723 30.3304 176.8505 619 N 5.1259 8.0538 115.3490 52.6650 39.8420 176.5097 620 L 4.0195 8.0247 122.1486 57.9865 41.9940 176.5181 621 P 4.2999 0.0000 0.0000 65.6535 31.3127 178.3802 622 F 4.2472 8.1728 118.7264 61.4220 39.3335 177.1457 623 L 3.9068 7.7903 117.0656 57.7285 41.6074 179.4108 624 I 3.8403 8.3352 120.1650 64.1801 37.0749 178.3300 625 K 3.8252 7.5552 119.2074 59.5332 31.8027 179.1638 626 K 4.1187 7.2813 114.5782 57.4971 32.0493 176.9578 627 D 4.7828 7.5823 118.5160 53.7435 41.7848 177.4331 628 A 3.9864 8.0974 122.6008 55.2601 18.6059 180.1297 629 Q 4.1065 8.0497 113.2604 59.3973 29.1718 177.6151 630 D 4.3173 8.1751 115.6974 57.4290 41.2436 177.6266 631 E 3.9584 7.7372 115.2921 58.0155 27.5473 175.5816 632 V 4.2620 8.1879 109.4560 61.0965 33.1861 178.4416 633 L 3.6190 7.9886 121.7402 57.2886 41.2103 177.3171 634 P 4.6145 0.0000 0.0000 64.7797 31.0638 177.5768 635 C 4.2987 7.7571 112.5393 60.0871 30.3088 175.0686 636 L 4.0848 8.0856 121.4371 56.3387 41.3365 178.5820 637 L 4.3893 7.7707 121.3435 58.0887 41.8853 178.8286 638 S 4.0835 8.0533 112.6305 61.0906 62.1816 174.1299 639 P 4.2206 0.0000 0.0000 65.6987 30.9897 178.6554 640 F 4.6028 8.0921 116.4272 60.4293 38.8799 178.0364 641 S 3.9043 8.1984 114.9477 61.5546 62.4815 176.4471 642 L 4.1414 7.4559 120.1525 57.8796 41.7039 179.0179 643 L 4.1628 7.6557 119.5321 58.4272 41.8429 179.1865 644 L 4.0460 7.7349 117.1870 57.4299 41.4817 178.0883 645 Y 4.7443 7.1360 114.3572 58.4072 37.9475 175.3954 646 H 5.0416 8.0976 114.4435 55.0066 31.2466 173.2225 647 L 4.4804 7.8038 120.2214 52.6566 42.7333 175.2471 648 P 4.4864 0.0000 0.0000 62.8317 33.0115 177.4062 649 S 4.3015 8.6242 111.8091 61.7669 62.3427 176.3073 650 V 3.6131 7.8869 114.5500 64.7652 31.2979 178.6306 651 S 4.1648 7.9937 114.2520 61.5333 62.7722 176.6183 652 I 3.7751 7.6835 122.4694 64.4169 36.8898 178.7015 653 T 3.3300 7.9347 116.8646 66.4829 68.2449 177.0680 654 S 4.0479 7.8332 116.9485 61.5008 62.7360 176.8159 655 L 3.9271 7.7926 121.6741 57.7697 41.3868 179.5552 656 L 3.8632 7.7477 118.9233 57.7459 41.5732 179.7647 657 R 3.9433 7.7840 117.8070 58.9796 29.8128 178.9577 658 Q 3.9953 7.8347 117.3546 58.3778 28.7653 178.0182 659 L 4.1621 7.8886 121.0243 58.4239 42.3140 178.5660 660 M 4.0874 7.9155 117.4166 57.1575 32.4286 177.6788 661 N 3.8192 8.0468 116.7847 54.8429 39.1449 173.7684 662 L 4.6563 7.8095 115.0007 51.9381 43.5379 174.2265 663 P 4.4323 0.0000 0.0000 64.0296 31.7169 177.4435 664 G 4.0218 9.0000 109.7670 45.6438 0.0000 174.2287 665 S 4.1244 7.5343 116.1190 58.4123 63.6939 173.4699 *674 P 4.4349 0.0000 0.0000 62.8731 33.1533 178.6095 675 H 4.0993 8.2787 117.3077 59.1300 29.7945 176.8935 676 L 4.0253 7.8213 121.5646 58.6397 42.1333 178.8426 677 T 3.9149 8.0329 115.4044 66.5177 68.0545 176.4663 678 A 4.0313 7.6244 121.7646 55.1178 18.4188 179.6435 679 V 3.8418 7.4900 110.2195 63.8714 31.8678 178.7435 680 L 4.0465 8.0705 118.7599 57.2485 41.6947 178.3505 681 Q 4.5421 7.7484 114.2263 55.4937 29.3158 175.4669 682 N 4.8930 7.5298 117.6505 51.7606 41.3162 175.2804 683 K 3.9615 8.5414 127.4618 59.6685 32.4074 179.3671 684 F 4.2579 8.3161 120.4049 61.1657 39.4510 176.9339 685 G 3.6002 8.4806 105.3971 47.8661 0.0000 175.2865 686 L 3.9197 8.2436 123.6952 57.7086 42.2121 179.0176 687 S 4.0839 8.1550 115.2788 61.5015 62.8238 176.3806 688 L 3.6610 7.8219 123.1091 58.0954 41.6837 178.4633 689 L 3.8485 7.6446 120.0901 58.4341 41.8187 179.0285 690 L 4.0061 7.9393 118.4933 57.8749 41.3358 179.5840 691 I 3.6822 7.3148 118.1031 64.2411 37.2883 178.1046 692 L 4.0994 7.7311 119.6214 57.9216 41.4403 179.3046 693 L 4.1681 8.2163 118.9557 58.1873 41.1457 179.3925 694 S 3.9556 8.3254 113.1713 61.7975 62.3668 176.4776 695 R 4.2002 8.0580 119.3936 57.9069 29.4626 179.1399 696 G 2.0000 7.9510 106.5631 46.8455 0.0000 174.9973 697 E 4.0518 7.3252 119.0953 56.7105 29.5351 176.6830 698 D 4.8981 7.0893 116.4635 55.4637 41.2487 177.8636 699 L 4.1990 7.1342 117.9373 55.1127 39.4305 177.5280 700 Q 3.6054 7.7898 123.8278 57.4164 28.4540 175.2535 *711 N 4.6055 7.6552 113.3768 52.8790 40.2306 174.9393 712 N 4.4065 8.7063 122.8439 56.8718 39.1144 177.2121 713 Q 4.0051 8.0167 119.0663 58.5822 28.9426 178.3458 714 W 4.0067 8.1636 119.7373 60.0229 29.2451 178.3971 715 T 3.9768 7.9033 109.5796 64.8977 67.9562 175.7806 716 E 4.0447 7.8885 120.8358 59.4161 29.9079 179.3164 717 V 3.6964 8.1078 112.2663 64.0089 31.4890 178.3912 718 M 3.9659 7.9543 118.8724 57.7979 31.7745 178.4365 719 F 4.6445 7.9698 117.8367 60.2403 39.0886 177.9949 720 M 4.0829 8.0536 118.1550 58.2076 31.8722 178.2921 721 A 4.0299 7.8619 120.9123 55.5930 18.5178 179.8195 722 T 3.8088 7.8125 107.7304 64.9776 68.7377 176.7341 723 R 3.9278 7.9319 120.4864 59.1735 30.0510 178.9601 724 E 3.9838 8.4146 118.3076 59.3484 29.2947 179.3597 725 L 4.0069 8.3012 118.1960 57.1696 41.6523 178.9988 726 L 4.1865 7.7796 118.7724 57.1429 41.8483 178.8684 727 R 4.0241 8.0245 118.1249 58.1741 30.4046 177.0206 728 I 3.6290 7.4155 118.1636 60.6028 38.6960 173.6166 729 P 4.3542 0.0000 0.0000 62.7280 31.7707 177.1528 730 Q 3.9308 8.7483 122.2267 59.0744 29.2080 178.0938 731 A 3.9025 7.8924 118.7887 53.8796 18.7888 177.9555 732 A 4.2453 7.7740 118.4837 54.0974 19.1206 177.5528 733 L 4.3412 7.2012 115.8865 54.7182 42.0839 177.6058 734 A 4.2346 8.4127 125.3898 51.6739 19.7335 177.3264 735 K 4.3824 8.4421 121.1737 54.0490 32.1604 174.3167 736 P 4.3184 0.0000 0.0000 63.0836 31.5909 176.7659 737 I 3.8801 8.9092 123.9250 63.9370 37.1610 176.0780 738 S 4.7565 7.6361 111.2877 56.7016 66.1069 173.0943 739 I 4.5441 8.0061 120.2267 58.7943 40.2231 173.8566 740 P 4.3921 0.0000 0.0000 62.8190 31.6207 177.7133 741 T 4.0337 8.5498 113.1766 63.7589 69.2084 174.6910 742 N 4.7195 7.9530 118.7096 52.7878 38.2836 176.5659 743 L 3.6389 7.8459 120.5566 58.2997 41.7479 179.3729 744 V 3.8765 7.8561 117.4927 66.2866 31.1902 177.8287 745 S 4.1364 7.9277 111.5052 60.9041 62.5570 175.5466 746 L 4.0219 7.9052 123.3287 58.2914 41.9393 178.9859 747 F 4.6010 8.3822 118.2902 60.6061 38.5906 177.7202 748 S 4.3095 8.0487 112.9608 61.2373 62.6643 176.3004 749 R 4.0994 7.9849 120.8088 57.6393 30.0053 176.6194 750 Y 4.7216 7.8400 113.5499 57.4854 38.8052 175.4354 751 V 4.5919 7.4735 118.3909 60.1750 34.7615 173.9669 752 D 4.7030 8.5195 125.5628 52.8446 41.6067 177.3195 753 R 3.9066 8.4213 118.5938 59.4946 30.0905 177.8868 754 Q 3.9340 8.0076 118.8100 59.3515 29.2622 178.2430 755 K 3.9823 8.5426 119.4553 59.2466 32.0236 179.1407 756 L 3.9643 8.0290 120.7766 58.3115 42.1881 178.8648 757 N 4.7294 8.1763 117.4671 55.3835 38.3557 177.5531 758 L 4.0028 7.6812 120.4709 57.6438 41.7734 179.2752 759 L 3.8819 7.8417 118.9270 57.7465 41.1505 179.3072 760 E 3.9833 8.0891 118.4438 59.9253 29.1972 179.7128 761 T 3.9566 7.7937 115.1994 66.3451 68.2588 176.8257 762 K 4.8647 8.1481 122.3623 58.7537 32.3980 178.0491 763 L 4.4918 8.2316 115.8107 52.9972 43.2549 176.8833 764 Q 3.3022 7.1754 115.1156 57.1926 26.0362 173.5549 765 L 4.5009 8.5821 114.9574 54.3239 42.6407 177.4640 766 V 3.9913 7.5473 124.1638 62.9372 31.6970 174.9783 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 517 D 8.21 4.61 0.00 2.77 1.93 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 0.00 518 K 6.94 3.94 0.00 2.03 2.06 0.00 1.39 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.51 7.81 519 R 8.85 3.93 0.00 1.89 1.97 0.00 3.16 0.00 0.00 3.32 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 520 R 7.67 3.99 0.00 1.99 1.95 0.00 3.17 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 521 K 8.18 4.02 0.00 1.94 1.87 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.48 7.81 522 T 7.80 3.95 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 1.15 0.00 0.00 523 L 7.93 4.04 0.00 1.75 1.69 0.90 0.79 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 0.00 524 V 7.24 3.76 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 1.14 0.00 0.00 1.02 0.00 0.00 525 I 7.53 3.71 2.03 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 1.71 0.92 0.94 0.00 0.00 526 I 8.04 3.74 1.86 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 1.51 0.95 0.90 0.00 0.00 527 E 7.86 3.98 0.00 2.12 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 2.54 2.47 0.00 528 K 8.36 3.97 0.00 2.04 1.90 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.61 7.81 529 T 8.10 4.17 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 1.26 0.00 0.00 530 Y 8.84 3.93 0.00 3.11 2.95 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 0.00 0.00 0.00 531 S 8.27 4.21 0.00 4.07 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 0.00 532 L 7.48 3.97 0.00 2.00 1.66 0.93 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 533 L 7.94 3.72 0.00 1.60 1.49 0.99 0.71 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 0.00 534 L 7.26 3.99 0.00 1.60 1.66 1.06 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 535 D 7.68 4.35 0.00 2.90 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 0.00 536 V 8.01 3.72 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.75 0.00 0.00 537 E 8.61 4.26 0.00 1.97 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 2.60 2.38 0.00 538 D 8.02 4.09 0.00 2.88 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 539 Y 7.50 3.53 0.00 3.15 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 0.00 0.00 0.00 540 E 7.90 4.28 0.00 1.96 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 0.00 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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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 594 K 8.12 3.93 0.00 1.91 1.79 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.34 7.81 595 R 7.89 4.08 0.00 1.82 2.06 0.00 3.29 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 596 M 7.84 4.33 0.00 2.38 2.37 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.63 0.00 597 V 8.10 3.69 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.10 0.00 0.00 598 A 7.49 3.89 1.35 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 0.00 599 R 7.75 4.12 0.00 1.97 2.27 0.00 3.36 0.00 0.00 3.27 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.97 0.00 600 I 7.64 4.27 2.08 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.93 1.04 0.00 0.00 601 L 7.89 4.01 0.00 1.58 1.63 0.27 0.99 0.00 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0.00 0.00 0.00 735 K 8.44 4.38 0.00 1.79 1.79 0.00 1.82 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.44 7.81 736 P 0.00 4.32 0.00 2.41 2.09 0.00 3.85 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 737 I 8.91 3.88 1.93 0.00 0.00 1.00 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 0.60 0.96 0.00 0.00 738 S 7.64 4.76 0.00 3.95 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 739 I 8.01 4.54 1.90 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 1.45 0.97 0.96 0.00 0.00 740 P 0.00 4.39 0.00 2.18 2.05 0.00 3.63 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 2.32 2.14 0.00 741 T 8.55 4.03 4.23 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 1.21 0.00 0.00 742 N 7.95 4.72 0.00 3.04 3.03 0.00 0.00 6.28 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 743 L 7.85 3.64 0.00 1.88 1.81 1.02 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 744 V 7.86 3.88 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 1.15 0.00 0.00 1.02 0.00 0.00 745 S 7.93 4.14 0.00 3.88 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 0.00 746 L 7.91 4.02 0.00 1.57 1.45 0.77 0.60 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 0.00 747 F 8.38 4.60 0.00 3.12 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 0.00 748 S 8.05 4.31 0.00 4.09 4.21 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 0.00 749 R 7.98 4.10 0.00 1.55 1.58 0.00 3.06 0.00 0.00 3.08 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.94 0.00 750 Y 7.84 4.72 0.00 2.94 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 0.00 751 V 7.47 4.59 2.32 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 0.86 0.00 0.00 1.11 0.00 0.00 752 D 8.52 4.70 0.00 2.93 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 0.00 753 R 8.42 3.91 0.00 1.96 1.98 0.00 3.25 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 754 Q 8.01 3.93 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.66 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 755 K 8.54 3.98 0.00 1.94 1.85 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.57 7.81 756 L 8.03 3.96 0.00 1.95 1.84 1.07 0.54 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 0.00 757 N 8.18 4.73 0.00 3.00 2.86 0.00 0.00 6.61 6.19 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 0.00 758 L 7.68 4.00 0.00 1.93 1.67 0.91 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 759 L 7.84 3.88 0.00 1.68 1.39 0.42 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 760 E 8.09 3.98 0.00 2.21 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 2.38 2.60 0.00 761 T 7.79 3.96 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 1.21 0.00 0.00 762 K 8.15 4.86 0.00 1.93 1.79 0.00 1.59 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.57 7.81 763 L 8.23 4.49 0.00 1.62 1.71 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 764 Q 7.18 3.30 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 765 L 8.58 4.50 0.00 1.67 1.74 1.06 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 766 V 7.55 3.99 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 0.81 0.00 0.00 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.