NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 515 D 4.6498 8.2076 120.3166 52.4408 41.0065 177.0946 516 P 4.1369 0.0000 0.0000 64.7829 31.6269 175.9328 517 D 4.4853 8.1395 117.8636 55.3307 42.4396 179.0661 518 K 3.9927 7.8832 120.1523 59.6833 31.9782 178.6999 519 R 4.0905 7.8788 117.8126 58.6809 29.7295 178.5402 520 R 3.8858 7.4487 115.7261 59.3509 29.9946 178.7840 521 K 4.0655 7.9725 117.9969 59.4292 31.9582 179.4868 522 T 3.8059 7.4696 114.9414 66.6799 68.4369 176.5297 523 L 3.9455 8.1869 121.1961 57.8902 41.6195 179.7897 524 V 3.6097 7.4842 117.0693 66.1216 31.4118 178.1794 525 I 3.7587 7.6932 119.4724 64.3043 36.8978 178.4571 526 I 3.7554 8.0142 120.8306 64.6160 36.9057 178.4254 527 E 4.0959 8.3249 119.3241 59.3316 29.0448 179.5975 528 K 4.0621 8.3255 118.6711 59.6624 31.9863 179.4371 529 T 3.9601 8.1481 116.0761 66.3563 68.6555 176.4945 530 Y 3.8552 8.5947 122.0513 60.5635 38.2388 178.0768 531 S 4.2182 8.1206 114.1323 61.1845 62.3959 176.1372 532 L 3.9980 7.4755 121.5177 57.4114 41.3202 178.9952 533 L 3.6773 7.9973 120.5051 58.3259 41.8143 179.2386 534 L 4.0684 7.3569 116.7115 57.5355 41.8628 178.7435 535 D 4.4435 7.6160 117.2846 57.0470 41.3008 178.4704 536 V 3.4914 7.7972 119.5452 65.8006 31.5852 177.3595 537 E 4.2914 8.2869 117.6083 57.9191 29.5521 177.3083 538 D 4.6949 7.7669 117.3157 54.5619 40.4575 176.9226 539 Y 4.1606 7.7296 119.7811 61.7254 38.5090 177.7283 540 E 3.9652 8.3018 117.8166 59.1071 29.8970 178.9333 541 R 4.1389 7.4250 118.6777 59.1709 30.2696 178.2823 542 R 4.1330 7.6499 113.7149 57.6626 29.9146 177.0871 543 Y 4.1834 7.4724 119.6566 58.9791 39.4097 176.3167 544 L 4.2350 7.9543 118.0915 55.9726 42.3985 176.7357 545 L 4.8102 7.5878 119.0306 55.0723 40.6763 176.1886 546 S 4.6345 7.4098 111.1180 56.9487 66.3280 173.6066 547 L 4.1522 8.0903 121.6369 54.4749 42.4686 178.0508 548 E 3.8827 8.7152 120.6091 59.2996 29.6163 178.6875 549 E 4.0427 8.2116 116.3785 59.1934 29.7881 178.6361 550 E 4.1084 7.9042 118.7151 58.5801 30.0134 179.1284 551 R 4.0244 7.7941 117.8440 58.9360 30.3450 176.4670 552 P 4.4249 0.0000 0.0000 65.4518 31.8673 177.7187 553 A 4.1655 7.5982 118.2883 55.0848 18.5079 178.8815 554 L 4.1039 8.6604 117.9750 55.6332 42.1715 178.3845 *556 D 4.5021 8.2998 117.6754 53.8483 42.8856 176.7721 557 D 4.4280 8.0265 117.8879 57.2057 41.0494 178.2195 558 R 3.8185 7.8283 119.2350 59.0358 30.0030 178.4946 559 K 3.8191 7.9153 117.8138 59.9655 32.1568 178.6349 560 H 4.1016 8.0421 116.0553 59.0312 28.3862 178.0661 561 K 4.0417 7.6465 119.3224 59.4078 31.9379 179.1557 562 I 3.8145 7.5278 119.3390 64.6491 37.2250 178.0173 563 C 4.4763 8.3478 117.4838 62.4304 27.7311 176.2912 564 S 4.4791 7.8586 113.8174 59.5390 62.1530 175.2591 *566 Y 4.6764 7.8058 125.2131 57.8558 40.3101 176.9656 567 D 4.2539 8.3783 119.5405 57.0498 40.6088 178.1509 568 N 4.4533 7.8414 115.6920 55.1984 38.7546 176.7447 569 L 4.4899 7.5318 120.6407 57.4361 42.1095 178.9351 570 R 3.9602 7.3968 117.1833 57.0099 30.2903 177.1420 571 G 3.3252 8.0098 105.8672 46.1515 0.0000 173.6101 572 K 4.0222 7.6670 119.0820 55.2441 33.1493 174.7682 *577 E 4.1622 8.1122 123.4767 55.5385 31.2801 175.9112 578 R 3.9292 8.2600 117.8557 55.6501 31.3291 174.6268 579 P 4.3292 0.0000 0.0000 62.5676 31.9733 176.1545 580 S 4.1553 8.5185 115.4436 58.5128 63.2420 174.4674 581 D 4.5955 8.7866 123.0638 55.5813 41.4019 176.6692 582 D 4.4397 7.9850 117.3667 57.2177 40.9605 177.2993 583 H 4.0461 7.7747 118.3810 59.5195 29.5890 176.9606 584 F 4.2400 8.2048 121.6440 60.3361 39.3530 176.9934 585 V 3.6110 6.9944 114.6674 66.0134 31.4418 177.6272 586 Q 4.2050 7.8344 116.5367 58.6839 29.0952 179.2405 587 I 3.8655 7.1054 122.5796 61.0858 35.7749 177.1782 *589 C 4.4472 7.9444 116.3643 59.0779 30.4264 174.7304 590 I 4.4560 7.1280 121.4866 59.5700 39.3721 175.6636 591 R 3.8005 8.6743 122.8074 60.3129 29.7511 178.9260 592 K 4.1717 7.8941 120.0718 58.8146 32.4716 179.0798 593 G 3.7191 7.7738 105.2310 47.9822 0.0000 175.6333 594 K 4.1963 7.9124 119.8844 58.6654 32.0969 178.5126 595 R 4.1743 7.5629 117.1877 56.6469 29.9798 178.7190 *597 V 4.0428 7.9767 119.5404 62.9411 33.1551 177.2299 598 A 3.9420 7.5841 120.2983 54.7829 18.1375 179.1115 599 R 4.2214 7.8669 114.6347 58.0484 30.9760 178.2668 600 I 4.2694 7.6211 119.2767 63.4789 36.9642 177.8068 601 L 4.0004 8.0198 120.4961 57.4266 41.3090 177.8077 602 P 3.9535 0.0000 0.0000 65.7012 31.0157 177.8408 603 F 4.3903 7.3653 116.5535 58.9142 39.3551 176.4740 604 L 4.2484 7.1241 117.0486 54.3750 42.1707 177.5409 605 S 4.3791 8.4500 116.9197 58.1327 65.1768 175.5565 606 T 3.8555 8.2809 118.3959 66.7231 68.1995 176.4919 607 E 3.8869 7.9564 120.5786 59.3768 29.8306 178.6559 608 Q 3.6316 7.5267 117.4970 58.8916 28.6926 178.8118 609 A 4.1270 8.4750 121.9537 55.0089 18.1714 179.5615 610 A 4.0356 8.0056 118.7318 55.0209 18.4340 179.2305 611 D 4.3916 7.8284 115.6821 57.6442 41.8010 177.9949 612 I 3.5860 7.7717 120.3756 64.1993 37.0578 178.7809 613 L 3.7848 8.0286 118.5524 55.9381 41.7317 178.6279 *615 T 4.3598 7.9153 116.0484 63.4729 70.5340 176.4921 616 T 4.0594 8.0840 116.8078 66.6910 68.6452 175.6428 617 A 4.2155 7.9369 123.2521 54.9758 18.5755 178.8342 618 R 4.4113 7.9353 114.4153 58.2001 30.6530 176.5765 619 N 5.1342 8.2155 114.9884 52.7008 39.6864 176.5686 620 L 4.0347 8.2768 121.3088 57.9940 42.3135 176.2746 621 P 4.2064 0.0000 0.0000 65.7341 31.2395 178.2806 622 F 4.1067 8.2099 118.4998 61.4377 39.2635 176.9700 623 L 3.9173 7.8241 116.9129 57.8218 41.6301 179.4109 624 I 3.8377 8.4613 120.1956 64.1628 37.1746 178.2273 625 K 3.8229 7.9068 120.4726 59.3516 31.7760 178.4415 626 K 4.0856 7.4918 116.4194 57.6357 32.5258 177.6698 627 D 4.4848 7.7646 117.6000 54.6665 41.1138 177.4373 628 A 3.9560 7.1955 119.6038 55.9239 18.3756 178.8816 629 Q 4.0457 7.7946 114.0754 59.4206 29.2389 177.6846 630 D 4.2981 8.1351 115.7018 56.6239 41.6239 176.3299 631 E 3.9543 8.5562 116.1150 57.7542 26.2766 174.7818 632 V 4.4729 8.7348 108.6958 60.2229 34.2977 178.3967 633 L 3.8464 8.1800 122.7187 57.0179 41.3558 177.0774 634 P 4.6207 0.0000 0.0000 66.1420 30.5499 177.9231 635 C 4.2822 7.5754 111.9507 60.6647 29.6858 175.0111 636 L 4.1817 8.2080 120.9933 55.7905 41.5161 178.4795 637 L 4.3576 8.0433 121.5921 58.0290 41.6093 178.6829 638 S 4.1076 8.0981 112.9709 60.8947 62.3862 174.1462 639 P 4.2742 0.0000 0.0000 66.0413 30.7427 178.2862 640 F 4.5592 7.8992 117.7037 60.3729 38.5918 177.5828 641 S 4.2422 8.1097 111.9801 61.3812 62.5486 175.8997 642 L 4.3558 7.8546 120.5764 57.3596 41.3482 179.0339 643 L 4.2408 7.8513 120.6439 58.0964 42.0466 178.8911 644 L 3.9979 7.8642 118.9369 57.8029 41.2791 178.1919 645 Y 4.3007 7.5697 112.4456 58.8867 37.9900 175.5874 646 H 4.8035 8.3003 116.5622 55.4211 30.1525 174.3316 647 L 4.6269 7.5129 120.2376 52.5229 43.1135 175.8728 648 P 4.6478 0.0000 0.0000 62.0298 34.0052 177.1955 649 S 4.2969 8.6023 113.3564 62.0174 62.6298 176.7463 650 V 3.4094 7.6755 120.4996 66.2614 31.2236 178.1562 651 S 4.0930 7.9484 114.1616 61.4666 62.7015 176.5068 652 I 3.6989 7.5435 122.4977 64.7011 36.9430 178.6065 653 T 3.7232 7.6682 110.4578 64.8938 68.3621 176.5855 654 S 4.0562 8.0784 118.0464 61.3426 62.7809 176.7609 655 L 4.0032 8.2970 122.0344 57.5981 41.0904 179.5369 656 L 3.9898 7.6302 118.4431 57.6719 41.7325 179.4144 657 R 4.0333 8.0775 118.1448 59.2932 29.8888 178.9471 658 Q 3.9526 7.8320 119.5093 58.8066 28.8017 177.8967 659 L 4.0303 7.6071 116.3028 55.8860 43.2394 176.9908 *661 N 4.3990 7.7934 114.1688 53.1931 39.3380 173.7580 662 L 4.3679 8.2941 120.3665 52.8702 43.4674 175.9092 663 P 4.3580 0.0000 0.0000 63.0754 31.6204 177.4240 664 Q 3.9806 8.6779 119.7506 59.1481 28.6799 177.9991 665 S 4.0947 8.0960 110.6391 58.7214 63.2543 174.7626 666 A 3.6897 7.9337 122.4334 52.7606 16.5912 176.7328 667 A 4.1945 7.4875 120.2308 51.9419 18.8195 178.1574 668 T 3.8567 8.5615 113.8575 61.5584 68.7370 172.4131 669 P 4.3730 0.0000 0.0000 62.3907 31.9589 176.4317 670 A 4.4286 8.5044 123.5881 52.5728 19.6755 176.6151 671 L 4.7452 7.5313 114.1017 52.5925 44.8348 175.5987 672 S 4.5913 8.2670 114.3999 57.6754 63.5663 173.0150 673 N 5.1435 8.1447 120.2566 49.8499 41.3582 173.3732 674 P 4.2593 0.0000 0.0000 66.4198 31.1910 178.1336 675 H 4.0460 8.2220 115.6293 59.1996 30.3217 176.4068 676 L 4.1434 9.4974 122.8041 58.5704 42.0986 179.3819 677 T 3.8663 8.0207 115.3919 66.6158 68.2226 176.5078 678 A 4.0896 7.7907 121.1399 54.6364 18.4333 179.5179 679 V 3.7516 7.5582 116.9282 65.9797 31.6810 178.2632 680 L 4.0172 7.8196 118.1846 57.7258 41.7646 178.2080 681 Q 4.4572 7.8858 114.3305 55.2129 28.7901 174.9129 682 N 5.0972 7.6665 117.2698 51.4064 41.6491 175.5455 683 K 3.9707 8.6233 123.0184 59.7908 32.8277 179.4078 684 F 4.2833 8.6064 120.0621 61.2461 39.4517 176.8705 685 G 3.6467 8.3088 105.1562 48.0708 0.0000 175.2141 686 L 3.9608 7.7040 122.9714 57.5963 42.0964 179.3351 687 S 4.0733 7.7710 114.9671 61.5300 62.7747 176.4011 688 L 3.8014 7.8008 123.3823 57.8133 41.6565 178.8042 689 L 3.9124 7.7226 120.3847 57.9958 42.0468 178.9866 690 L 4.0163 7.7719 118.7628 57.8064 41.5732 179.5839 691 I 3.9629 7.6442 112.5077 63.7651 37.5291 178.3403 692 L 3.9805 7.7228 120.6508 57.5525 41.4097 179.4155 693 L 3.9661 7.8860 119.0128 57.6802 41.3553 179.2407 694 S 3.9592 8.2635 112.3068 61.5049 62.6069 175.9945 695 R 3.8958 8.3744 121.7890 59.2839 29.6699 178.6911 696 G 3.7151 8.1107 105.4332 47.5753 0.0000 175.2579 697 E 3.6342 7.9448 121.6642 58.9388 29.7069 178.5738 698 D 4.3552 7.7425 118.9104 57.5097 40.7650 178.7933 699 L 4.0924 7.6695 117.3725 57.6300 41.9421 179.0724 700 Q 3.8103 7.2737 119.7265 59.1768 28.8196 178.5868 701 S 4.1579 7.5575 113.3125 60.8717 63.0240 174.8936 702 S 4.4003 7.2959 115.5423 57.5438 62.8180 169.5648 703 D 4.3235 7.7705 129.8612 53.4106 41.2423 173.1337 *712 N 4.6273 8.5667 120.3005 52.8726 38.5203 174.7460 713 Q 4.1228 8.4697 122.7514 57.9443 29.3921 177.6520 714 W 4.1624 8.1894 119.7209 59.7217 28.8708 177.8315 715 T 4.1175 8.2863 111.9753 64.6135 66.7483 174.4503 716 E 4.4186 7.8910 119.0561 56.6814 30.3001 175.7597 717 V 4.0490 7.3015 117.7723 63.2654 31.9919 175.8363 *719 F 4.3797 8.0681 117.3989 57.5753 40.8409 176.0389 *721 A 4.2739 7.9942 122.5065 51.9894 20.3604 179.9027 722 T 3.7939 7.8481 105.9510 64.8951 68.5285 176.2810 723 R 3.5955 7.3990 120.5001 58.9908 30.4949 177.8070 724 E 4.0153 7.9671 118.5152 59.2500 29.4556 178.5791 725 L 4.0612 7.7495 118.2867 57.0584 41.6149 177.9963 726 L 4.5024 7.5286 117.6797 54.9300 42.2621 177.0365 727 R 4.3253 7.5857 115.7368 57.4642 32.5315 175.5395 728 I 3.5721 7.5894 117.2782 60.5462 38.4233 173.9576 729 P 4.3170 0.0000 0.0000 62.9376 31.9058 176.6483 730 Q 3.8617 8.9460 120.8268 59.4566 29.0158 178.9965 731 A 4.0057 7.9612 118.5231 54.9343 19.2098 178.5417 732 A 4.0873 8.1003 118.7255 55.1471 18.7444 177.3963 733 L 4.3472 7.5999 116.8633 55.4918 42.7309 177.0043 734 A 4.4657 8.3709 127.8748 50.9395 20.7648 176.2724 735 K 4.3365 8.3233 120.2926 54.4880 32.7102 174.8154 736 P 4.4311 0.0000 0.0000 62.5025 32.0286 176.8377 737 I 3.8860 8.4745 124.0959 63.9557 37.1549 176.1748 738 S 4.7027 7.6446 111.4455 56.6656 66.0841 173.1207 739 I 4.4807 7.9940 119.9583 58.6572 39.3589 173.9459 740 P 4.3479 0.0000 0.0000 62.9614 31.7991 177.1176 741 T 4.0802 8.6232 113.2094 64.3984 69.2010 174.8662 742 N 5.0118 7.9548 118.7294 53.1880 38.0957 177.2393 743 L 3.8963 7.8816 121.2922 58.5873 41.8568 178.7331 744 V 3.7364 7.9207 117.7191 66.3347 31.0843 177.8996 745 S 4.0758 7.9024 111.1971 61.2302 62.4194 175.3446 746 L 4.1983 7.3187 123.0043 57.6834 41.7993 179.0234 747 F 4.5453 8.2865 118.2119 60.4242 38.7041 177.5576 748 S 4.3748 7.9180 111.9694 60.5565 62.8169 176.0334 749 R 3.9523 7.5798 120.8631 57.9443 29.9450 176.3174 750 Y 4.7676 8.1189 113.2741 57.1619 39.9748 174.7956 751 V 4.5880 7.7211 111.5701 59.1131 35.6116 174.2117 752 D 4.8596 8.1258 120.5270 52.1231 42.8027 176.9805 753 R 3.9670 8.3611 118.3886 59.1327 29.5655 178.1921 754 Q 4.0117 7.9513 117.4253 59.2007 29.0087 178.2884 755 K 3.8201 8.5170 120.5728 58.5313 32.0637 179.1637 756 L 3.9144 8.2981 121.2987 58.3461 41.5910 178.9010 757 N 4.4230 8.0428 115.5439 55.8937 38.4318 177.4605 758 L 4.0415 7.3383 120.5765 57.6273 41.8312 179.2764 759 L 3.8459 7.8223 118.9096 57.6529 41.2971 179.3893 760 E 4.0565 8.1440 118.5845 59.1525 29.4053 179.5507 761 T 3.9185 7.3813 114.9642 66.5666 68.4228 177.1817 762 K 4.6309 7.5160 120.0100 58.8838 32.2761 178.9486 763 L 4.2050 7.5464 115.6497 54.6271 41.7625 177.1986 764 Q 3.6321 7.5090 115.9770 56.6218 26.7942 173.6001 765 L 4.1955 7.5893 123.6852 55.2664 41.5470 177.1368 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 515 D 8.21 4.65 0.00 2.85 2.96 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 0.00 516 P 0.00 4.14 0.00 2.32 2.35 0.00 3.68 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 517 D 8.14 4.49 0.00 2.69 2.69 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 0.00 0.00 0.00 0.00 518 K 7.88 3.99 0.00 1.89 1.92 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.47 7.81 519 R 7.88 4.09 0.00 1.89 1.94 0.00 3.18 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 520 R 7.45 3.89 0.00 1.94 2.23 0.00 3.09 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 521 K 7.97 4.07 0.00 1.99 1.84 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.67 7.81 522 T 7.47 3.81 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 1.17 0.00 0.00 523 L 8.19 3.95 0.00 1.65 1.71 0.90 0.76 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 0.00 524 V 7.48 3.61 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.00 0.00 0.00 525 I 7.69 3.76 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.73 0.97 0.00 0.00 526 I 8.01 3.76 2.03 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 1.54 0.87 0.96 0.00 0.00 527 E 8.32 4.10 0.00 2.00 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 2.54 2.47 0.00 528 K 8.33 4.06 0.00 2.05 1.89 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.63 7.81 529 T 8.15 3.96 4.42 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 1.25 0.00 0.00 530 Y 8.59 3.86 0.00 3.18 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 8.12 4.22 0.00 3.97 4.02 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 0.00 532 L 7.48 4.00 0.00 1.99 1.65 0.93 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 533 L 8.00 3.68 0.00 1.55 1.53 0.85 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 534 L 7.36 4.07 0.00 1.68 1.72 1.10 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 535 D 7.62 4.44 0.00 2.85 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 0.00 536 V 7.80 3.49 1.66 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 0.10 0.00 0.00 0.75 0.00 0.00 537 E 8.29 4.29 0.00 1.95 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 2.66 2.31 0.00 538 D 7.77 4.69 0.00 3.02 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 0.00 539 Y 7.73 4.16 0.00 3.14 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 540 E 8.30 3.97 0.00 1.98 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 2.45 2.41 0.00 541 R 7.42 4.14 0.00 2.05 2.14 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 542 R 7.65 4.13 0.00 1.85 1.96 0.00 3.22 0.00 0.00 3.33 7.50 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.78 0.00 728 I 7.59 3.57 1.85 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 1.34 0.73 0.94 0.00 0.00 729 P 0.00 4.32 0.00 2.24 2.18 0.00 3.75 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 730 Q 8.95 3.86 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 731 A 7.96 4.01 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 0.00 732 A 8.10 4.09 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 0.00 733 L 7.60 4.35 0.00 1.67 1.71 0.89 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 734 A 8.37 4.47 1.37 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 0.00 735 K 8.32 4.34 0.00 1.76 1.75 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.53 7.81 736 P 0.00 4.43 0.00 2.17 1.98 0.00 3.75 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 2.04 2.12 0.00 737 I 8.47 3.89 1.92 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.53 0.96 0.00 0.00 738 S 7.64 4.70 0.00 3.93 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 739 I 7.99 4.48 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.69 0.95 0.00 0.00 740 P 0.00 4.35 0.00 2.04 2.02 0.00 3.71 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.11 0.00 741 T 8.62 4.08 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 1.22 0.00 0.00 742 N 7.95 5.01 0.00 2.84 3.04 0.00 0.00 6.30 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 7.88 3.90 0.00 1.79 1.98 1.06 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 744 V 7.92 3.74 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.99 0.00 0.00 745 S 7.90 4.08 0.00 3.88 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 0.00 746 L 7.32 4.20 0.00 1.81 1.41 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 747 F 8.29 4.55 0.00 3.16 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 7.92 4.37 0.00 4.03 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 749 R 7.58 3.95 0.00 1.61 1.06 0.00 2.94 0.00 0.00 2.93 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.68 0.00 750 Y 8.12 4.77 0.00 3.03 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 0.00 751 V 7.72 4.59 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.06 0.00 0.00 752 D 8.13 4.86 0.00 2.95 2.83 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 0.00 753 R 8.36 3.97 0.00 1.95 1.97 0.00 3.23 0.00 0.00 3.39 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 754 Q 7.95 4.01 0.00 2.31 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.63 2.47 0.00 755 K 8.52 3.82 0.00 2.12 1.87 0.00 1.54 0.00 0.00 1.57 0.00 0.00 3.33 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.44 7.81 756 L 8.30 3.91 0.00 1.86 1.86 1.00 0.54 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 0.00 757 N 8.04 4.42 0.00 2.78 2.84 0.00 0.00 7.10 6.63 0.00 0.00 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 7.34 4.04 0.00 1.84 1.64 0.89 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 759 L 7.82 3.85 0.00 1.60 1.17 0.45 0.59 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 0.00 760 E 8.14 4.06 0.00 2.15 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 2.35 2.63 0.00 761 T 7.38 3.92 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 762 K 7.52 4.63 0.00 1.69 1.83 0.00 1.59 0.00 0.00 1.51 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.29 7.81 763 L 7.55 4.21 0.00 1.72 1.72 0.80 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 764 Q 7.51 3.63 0.00 2.35 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.96 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 765 L 7.59 4.20 0.00 1.62 1.65 1.06 0.84 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 * Residues marked with a * may have inaccurate shift predictions.