NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 541 A 4.5040 8.2649 122.4395 51.8286 20.0470 176.3455 542 Y 4.1875 8.8438 121.4894 57.3779 39.5332 173.2154 543 K 5.0345 10.3453 125.2394 55.4492 34.5283 175.4276 544 I 4.9443 9.0495 126.8547 59.3657 40.5386 174.8272 545 V 3.7458 7.6963 126.7927 59.5949 33.8973 174.8186 546 L 4.8852 8.2141 123.9995 53.5789 43.5570 175.6597 547 A 4.9437 8.3202 124.0620 48.6541 23.4211 173.5798 548 G 3.6936 7.2355 102.7344 43.9402 0.0000 173.5352 549 D 4.8144 8.7119 118.5720 53.6564 41.4409 176.2666 550 A 4.1195 8.4502 123.6704 54.0928 18.7141 177.9278 551 A 3.8925 8.8095 122.6156 52.5949 16.1899 179.5614 552 V 3.8108 7.3564 110.0972 63.1693 31.9564 177.2002 553 G 4.3409 8.4725 109.2697 45.6687 0.0000 176.0407 554 K 3.8495 8.6322 120.2611 59.4034 32.0017 178.7414 555 S 4.1919 8.1003 114.5479 61.9959 62.8533 176.9632 556 S 4.2320 8.1454 117.1735 61.3715 62.6209 176.3808 557 F 3.9946 8.6762 123.8340 61.2970 39.1375 177.0043 558 L 4.1280 8.2424 119.9982 58.3948 41.9085 178.5887 559 M 4.0429 8.5534 118.6988 58.4505 32.2566 178.2318 560 R 4.0857 8.0991 120.2695 58.8041 30.0822 178.2519 561 L 3.8299 7.6696 118.7353 58.2053 42.1934 178.0390 562 C 4.4460 8.1415 114.7761 60.5489 28.7851 174.5611 563 K 4.4283 7.9015 116.2671 55.0102 33.1860 175.1416 564 N 4.2963 7.9977 116.6889 54.4724 37.8584 173.1668 565 E 4.8618 7.7834 111.8951 54.2972 33.1647 174.1099 566 F 4.8245 8.7185 123.3585 57.4448 41.6934 173.4395 567 R 4.2015 7.1905 124.5065 57.0615 33.2496 175.9805 *575 G 4.0068 7.5747 110.4388 45.2209 0.0000 172.1412 576 V 3.9094 8.3272 122.0730 61.1943 32.4945 175.8101 577 D 4.6005 8.7737 123.7793 54.6678 41.8101 175.2651 578 F 5.1663 8.7176 125.9537 57.2855 42.1987 173.2644 579 Q 4.7456 9.1334 124.8718 54.6479 33.4251 173.7883 580 M 5.0124 8.6518 121.5654 53.9403 34.2717 175.6484 581 K 4.5403 8.8661 123.4483 55.4352 36.0672 174.7167 582 T 4.9211 8.6396 124.4042 62.5678 69.7321 174.1516 583 L 4.8263 9.1555 126.2373 52.9716 45.5685 175.7663 584 I 4.7331 8.2840 122.3938 60.0638 38.3908 175.3785 585 V 4.2685 8.6961 128.3056 61.9330 33.8857 174.7727 586 D 4.0705 8.7124 128.3819 55.1164 39.9543 176.1136 587 G 3.7461 8.9081 112.9459 48.7548 0.0000 172.7994 588 E 4.6640 8.0267 118.9046 53.8726 31.6271 175.2003 589 R 4.4335 8.4427 122.7380 57.1595 31.0807 175.8990 590 T 4.7078 9.2639 122.5512 62.0141 72.6887 172.8501 591 V 4.6480 8.5914 126.5960 61.6238 33.6799 174.2228 592 L 5.2021 9.3465 128.2458 53.0476 44.7080 175.1374 593 Q 4.7662 9.5030 125.8112 54.6993 30.6341 173.9315 594 L 5.8646 8.9291 127.5816 52.0350 44.7556 175.9958 595 W 5.8810 8.3541 118.9433 54.8677 32.2928 172.4581 596 D 5.5147 8.8798 118.4475 51.2437 42.3105 175.0885 597 T 4.6190 8.2233 105.4210 61.2171 69.0404 174.0838 598 A 4.3752 7.5552 125.2397 53.7853 18.4980 179.0161 599 G 4.1214 9.2254 111.4442 45.7409 0.0000 173.8683 600 Q 5.0599 8.3867 117.1355 55.6450 30.5828 177.1207 601 E 4.2146 8.4177 121.3061 59.3995 29.6207 178.6896 602 R 4.0844 7.7392 112.3333 56.8883 30.0287 177.3279 603 F 4.7288 7.5784 119.1946 56.2586 38.5266 176.1524 604 R 4.0051 8.2634 123.5400 59.1592 30.1255 178.7347 605 S 4.1970 8.0805 114.6463 61.3857 62.8867 176.6283 606 I 3.4411 7.6830 121.8896 64.1068 36.8609 177.7880 607 A 3.5920 7.9691 121.7351 55.2235 18.0909 179.8803 608 K 4.0769 7.9661 116.6004 59.6273 32.0294 179.3289 609 S 4.1661 8.1279 113.4170 61.8545 62.2679 175.8811 610 Y 4.6692 8.3943 119.5312 61.4976 37.4197 178.8210 611 F 4.6607 8.0720 117.8203 60.7054 39.0656 177.7141 612 R 4.2459 8.6727 119.9641 59.5468 29.8914 179.2748 613 K 4.3357 7.8863 122.4418 57.7146 32.4311 180.8225 614 A 4.6354 7.7444 120.8841 52.8441 18.8056 177.1967 615 D 4.6995 9.1530 121.9531 56.5485 41.9039 176.6943 616 G 4.1684 7.7398 103.5768 45.2514 0.0000 172.1288 617 V 4.7713 8.5193 120.2683 60.7628 34.8182 174.4626 618 L 4.6245 8.4783 128.1824 53.6877 42.8540 175.4045 619 L 4.8525 8.8119 128.1703 53.3351 43.4749 175.0332 620 L 5.2426 8.5964 127.2680 53.4435 43.8338 175.3392 621 Y 4.9081 8.6790 119.8655 55.3302 42.3562 173.3867 622 D 5.0640 9.1247 119.4243 52.5144 42.3943 177.5203 623 V 3.7696 8.9033 121.3264 64.3697 31.7521 177.7796 624 T 4.2346 8.3193 108.0284 61.6716 69.0173 174.4128 625 C 4.6471 8.4579 125.7759 57.4701 32.6994 174.2944 626 E 4.1197 8.9171 127.3370 61.1161 29.2496 176.5920 627 K 4.2155 8.1418 120.1150 59.4419 32.1258 178.8771 628 S 4.6878 7.7600 114.9755 60.9118 63.1562 176.0941 629 F 4.1540 8.1970 123.7956 61.0567 39.1672 177.0911 630 L 3.8192 8.2102 118.7274 57.7707 41.4200 179.0380 631 N 4.4372 8.3815 115.6752 55.1824 38.4248 177.0580 632 I 3.9131 7.4788 121.6231 64.9650 37.2990 178.1984 633 R 4.1934 7.6857 119.5800 58.6018 29.7568 179.0146 634 E 3.8113 7.9242 117.9553 59.0751 29.4358 179.1862 635 W 4.3988 7.7426 118.8912 59.9046 29.1481 178.6999 636 V 3.2886 8.1391 118.5235 65.9354 30.7156 177.6305 637 D 4.2927 7.7950 118.1036 57.7121 40.6439 178.8159 638 M 4.1469 7.8280 118.6535 58.4732 32.0170 178.9693 639 I 3.3612 7.7392 120.1106 64.3572 36.9890 178.4609 640 E 3.9479 8.2394 118.6273 59.1013 29.2850 178.6525 641 D 4.4412 8.2812 117.6347 57.2287 41.4292 177.8037 642 A 4.2134 8.3391 119.9578 53.4306 18.9328 177.7076 643 A 4.4847 8.3031 114.7008 52.2642 18.9060 179.7395 *647 V 3.9177 8.4657 118.0935 64.1190 32.3914 171.8632 648 P 4.3285 0.0000 0.0000 63.5000 32.5517 174.9347 649 I 4.7810 8.4099 123.9517 59.6081 40.5684 174.0169 650 M 4.9385 8.8263 127.0647 53.5631 34.1914 174.4137 651 L 4.7547 9.1879 130.5592 54.9196 43.7453 175.5404 652 V 4.4323 9.2137 127.0374 61.0435 34.2076 174.7014 653 G 3.2694 8.5775 116.9886 44.9358 0.0000 172.3321 654 N 5.0444 8.8626 126.5899 52.3302 41.4993 174.4348 655 K 4.1389 8.5645 117.6234 57.8564 29.3663 178.5223 656 A 4.0428 8.2142 123.4293 54.9455 18.0578 179.2387 657 D 4.3916 8.0478 116.3449 55.7685 39.5864 177.5883 658 I 4.1999 7.6432 120.1829 61.2707 37.5432 177.2484 659 R 3.8517 7.7450 120.9546 59.6840 29.8446 177.8959 660 D 4.3580 8.0763 117.9780 57.6762 40.8242 178.9063 661 T 3.8088 7.8424 115.3458 66.4902 68.5014 176.1045 662 A 3.9547 8.1682 122.6169 55.4751 18.2698 179.6016 663 A 3.9106 8.3243 119.2253 55.4729 18.1990 179.8646 664 T 3.8740 7.8964 113.5581 66.7926 68.6318 175.7786 665 E 4.4158 7.9617 117.1473 55.9380 29.5514 177.6358 666 G 3.8866 7.6244 106.8206 45.7402 0.0000 173.9995 667 Q 4.1911 8.1664 123.3132 55.5151 29.8070 176.3452 668 K 4.2183 8.4333 125.8906 54.6697 32.5035 175.3135 669 C 5.1465 8.2262 119.9156 57.0134 32.0532 173.6248 670 V 3.6892 8.4373 121.9085 61.2566 31.6744 174.2859 671 P 4.3297 0.0000 0.0000 62.1105 32.2204 177.8127 672 G 3.9567 9.0628 109.5275 48.4830 0.0000 175.2749 673 H 4.1501 8.4196 119.7554 59.4566 29.8300 177.2002 674 F 4.1180 8.7339 119.6680 60.1467 38.7022 177.9925 675 G 3.5656 7.7938 106.2851 47.2894 0.0000 175.4316 676 E 3.3873 7.5484 121.8090 58.4498 29.3936 179.3871 677 K 3.7336 7.7789 119.6011 59.3739 32.1297 178.5688 678 L 3.6958 7.8708 120.3226 58.0062 41.9795 178.6893 679 A 4.1524 7.9987 120.6893 55.6047 18.3583 179.5672 680 M 4.0522 8.1414 117.1089 58.6275 31.7588 178.7615 681 T 3.7147 7.3620 115.1123 66.7829 68.8588 175.1566 682 Y 4.7727 7.6200 115.9485 56.9012 38.0979 176.3523 683 G 3.8504 7.7661 107.6059 46.4621 0.0000 173.7433 684 A 4.7133 8.2542 120.7143 50.3209 20.5227 178.4097 685 L 4.3802 8.5684 119.5021 54.7987 43.1469 176.1133 686 F 5.5127 8.4596 122.0536 57.1026 42.7918 173.3558 687 C 4.3243 7.4175 122.8579 58.2556 35.3107 172.1917 688 E 4.9436 8.3525 124.9644 55.1398 31.0396 175.1183 689 T 4.8500 8.6982 112.7454 60.1662 73.5834 172.7401 690 S 4.5652 8.7570 115.4130 56.5055 64.6104 174.4087 691 A 3.8581 8.4738 130.6684 55.0299 18.5938 178.6021 692 K 2.4800 7.7483 116.1168 58.6514 32.0869 177.1912 693 D 4.4985 7.6965 114.5965 52.7472 39.9941 177.2226 694 G 3.7876 8.1780 109.6838 45.0748 0.0000 173.5872 695 S 3.9208 8.4022 117.2663 60.1810 63.1096 174.7406 696 N 4.4697 8.8811 120.0629 53.8512 36.3033 176.2715 697 I 3.3041 7.3209 120.8707 64.3624 37.0151 178.5242 698 V 3.5411 7.4977 118.4271 65.9200 30.9639 177.3967 699 E 3.8233 8.2080 117.6891 59.5119 29.3016 178.9977 700 A 4.0738 8.1751 120.6134 55.2953 18.4742 179.8753 701 V 3.5286 7.5646 116.3973 66.1412 31.6221 177.9703 702 L 3.9251 8.0711 118.9439 58.3212 41.3502 179.2324 703 H 4.1707 8.2295 115.8971 58.8201 28.5610 177.6338 704 L 3.8951 7.9600 121.7103 58.1872 41.9145 178.7707 705 A 3.8243 8.4924 120.9996 55.1769 18.1885 179.8870 706 R 3.7812 8.1207 116.6390 59.4303 29.9514 178.9136 707 E 3.9352 7.6957 117.9179 59.0280 29.6510 178.7745 708 V 3.6491 7.7427 117.9029 65.9880 31.9088 177.9720 709 K 3.9302 8.0149 118.4478 58.9646 31.4954 178.4048 710 K 4.4720 7.3428 116.6618 56.7433 31.9177 176.8186 711 R 4.2186 7.7435 122.2637 56.4787 31.2704 174.7848 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 541 A 8.26 4.50 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 0.00 542 Y 8.84 4.19 0.00 2.97 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 0.00 543 K 10.35 5.03 0.00 2.03 2.22 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.58 1.51 7.81 544 I 9.05 4.94 1.79 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 0.94 0.77 0.00 0.00 545 V 7.70 3.75 0.67 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 0.60 0.00 0.00 0.35 0.00 0.00 546 L 8.21 4.89 0.00 1.44 1.35 0.80 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 547 A 8.32 4.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 548 G 7.24 3.69 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 0.00 0.00 0.00 549 D 8.71 4.81 0.00 2.98 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 0.00 550 A 8.45 4.12 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 0.00 551 A 8.81 3.89 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 552 V 7.36 3.81 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 0.84 0.00 0.00 1.01 0.00 0.00 553 G 8.47 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 0.00 0.00 0.00 0.00 554 K 8.63 3.85 0.00 1.80 1.83 0.00 1.71 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.46 7.81 555 S 8.10 4.19 0.00 3.90 3.95 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 0.00 556 S 8.15 4.23 0.00 4.16 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 0.00 557 F 8.68 3.99 0.00 3.27 3.12 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 0.00 558 L 8.24 4.13 0.00 2.04 1.88 0.96 0.76 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 0.00 559 M 8.55 4.04 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.73 0.00 560 R 8.10 4.09 0.00 2.06 2.01 0.00 3.16 0.00 0.00 3.14 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.36 0.00 561 L 7.67 3.83 0.00 1.59 1.92 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 562 C 8.14 4.45 0.00 3.10 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 0.00 563 K 7.90 4.43 0.00 1.88 1.80 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.35 7.81 564 N 8.00 4.30 0.00 2.79 2.81 0.00 0.00 6.88 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 565 E 7.78 4.86 0.00 2.24 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 2.24 1.83 0.00 566 F 8.72 4.82 0.00 2.87 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 0.00 567 R 7.19 4.20 0.00 1.81 1.61 0.00 3.35 0.00 0.00 3.23 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 *575 G 7.57 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 0.00 576 V 8.33 3.91 2.20 0.00 0.00 0.00 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 1.17 0.00 0.00 577 D 8.77 4.60 0.00 2.84 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 578 F 8.72 5.17 0.00 3.04 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 0.00 579 Q 9.13 4.75 0.00 1.92 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.56 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 580 M 8.65 5.01 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 581 K 8.87 4.54 0.00 1.84 1.61 0.00 1.51 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.47 7.81 582 T 8.64 4.92 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 0.00 583 L 9.16 4.83 0.00 1.52 1.52 0.92 0.74 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 0.00 584 I 8.28 4.73 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 1.23 0.81 0.94 0.00 0.00 585 V 8.70 4.27 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.91 0.00 0.00 586 D 8.71 4.07 0.00 2.80 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 0.00 587 G 8.91 3.75 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 0.00 0.00 0.00 588 E 8.03 4.66 0.00 2.10 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 2.26 2.27 0.00 589 R 8.44 4.43 0.00 1.84 1.86 0.00 3.18 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 1.63 1.69 0.00 590 T 9.26 4.71 4.28 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 1.36 0.00 0.00 591 V 8.59 4.65 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 1.10 0.00 0.00 0.95 0.00 0.00 592 L 9.35 5.20 0.00 1.68 1.56 0.94 0.28 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 0.00 593 Q 9.50 4.77 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.77 0.00 0.00 0.00 0.00 0.00 2.07 1.93 0.00 594 L 8.93 5.86 0.00 1.66 1.47 0.93 0.60 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 0.00 595 W 8.35 5.88 0.00 3.43 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 0.00 596 D 8.88 5.51 0.00 2.66 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 0.00 597 T 8.22 4.62 4.28 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 1.25 0.00 0.00 598 A 7.56 4.38 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 599 G 9.23 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 0.00 0.00 0.00 600 Q 8.39 5.06 0.00 2.34 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 601 E 8.42 4.21 0.00 2.19 2.31 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 2.63 2.46 0.00 602 R 7.74 4.08 0.00 1.66 1.87 0.00 2.75 0.00 0.00 3.03 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.50 0.00 603 F 7.58 4.73 0.00 3.24 2.97 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 0.00 604 R 8.26 4.01 0.00 1.87 2.00 0.00 3.04 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 605 S 8.08 4.20 0.00 3.88 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 606 I 7.68 3.44 1.93 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.39 0.24 0.00 0.00 607 A 7.97 3.59 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 608 K 7.97 4.08 0.00 2.03 1.97 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.63 1.72 7.81 609 S 8.13 4.17 0.00 3.91 4.06 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 0.00 610 Y 8.39 4.67 0.00 2.91 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 0.00 611 F 8.07 4.66 0.00 3.22 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 0.00 612 R 8.67 4.25 0.00 2.05 2.10 0.00 3.22 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.97 0.00 613 K 7.89 4.34 0.00 1.80 1.71 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.36 1.32 7.81 614 A 7.74 4.64 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.15 4.70 0.00 2.81 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 0.00 616 G 7.74 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 0.00 0.00 0.00 617 V 8.52 4.77 1.94 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 1.02 0.00 0.00 0.87 0.00 0.00 618 L 8.48 4.62 0.00 1.29 1.15 0.64 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 619 L 8.81 4.85 0.00 1.61 1.49 0.79 0.37 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 0.00 620 L 8.60 5.24 0.00 1.57 1.50 0.47 0.54 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 0.00 621 Y 8.68 4.91 0.00 3.18 3.26 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 0.00 622 D 9.12 5.06 0.00 2.86 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 0.00 623 V 8.90 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 0.59 0.00 0.00 0.91 0.00 0.00 624 T 8.32 4.23 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 0.00 625 C 8.46 4.65 0.00 3.05 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 0.00 626 E 8.92 4.12 0.00 2.01 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 2.32 1.95 0.00 627 K 8.14 4.22 0.00 1.87 1.90 0.00 1.74 0.00 0.00 1.94 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.67 1.53 7.81 628 S 7.76 4.69 0.00 4.24 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.20 4.15 0.00 2.91 3.26 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 0.00 630 L 8.21 3.82 0.00 1.88 1.67 0.97 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 631 N 8.38 4.44 0.00 3.05 2.85 0.00 0.00 6.94 7.01 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 0.00 632 I 7.48 3.91 1.78 0.00 0.00 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 1.81 0.85 0.98 0.00 0.00 633 R 7.69 4.19 0.00 1.84 1.99 0.00 3.09 0.00 0.00 3.16 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.42 0.00 634 E 7.92 3.81 0.00 1.53 1.62 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 2.24 2.12 0.00 635 W 7.74 4.40 0.00 3.53 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 0.00 636 V 8.14 3.29 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.58 0.00 0.00 637 D 7.80 4.29 0.00 3.02 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 0.00 638 M 7.83 4.15 0.00 2.43 2.57 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.64 0.00 639 I 7.74 3.36 1.61 0.00 0.00 0.45 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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L 9.19 4.75 0.00 2.01 2.03 1.25 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 652 V 9.21 4.43 1.94 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 0.91 0.00 0.00 0.81 0.00 0.00 653 G 8.58 3.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 654 N 8.86 5.04 0.00 2.78 2.85 0.00 0.00 7.03 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 655 K 8.56 4.14 0.00 2.02 1.91 0.00 1.94 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.43 7.81 656 A 8.21 4.04 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 0.00 657 D 8.05 4.39 0.00 2.76 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 658 I 7.64 4.20 1.86 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 1.39 0.77 0.91 0.00 0.00 659 R 7.74 3.85 0.00 1.89 1.99 0.00 3.09 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 660 D 8.08 4.36 0.00 2.71 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 0.00 661 T 7.84 3.81 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 1.21 0.00 0.00 662 A 8.17 3.95 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 663 A 8.32 3.91 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 0.00 664 T 7.90 3.87 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 1.21 0.00 0.00 665 E 7.96 4.42 0.00 2.01 1.97 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 2.33 2.45 0.00 666 G 7.62 3.89 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 0.00 0.00 0.00 667 Q 8.17 4.19 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 668 K 8.43 4.22 0.00 1.82 1.58 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.36 1.03 7.81 669 C 8.23 5.15 0.00 2.74 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 0.00 670 V 8.44 3.69 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 -0.39 0.00 0.00 0.76 0.00 0.00 671 P 0.00 4.33 0.00 2.11 1.88 0.00 2.63 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.81 0.00 672 G 9.06 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 0.00 673 H 8.42 4.15 0.00 3.33 3.53 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 674 F 8.73 4.12 0.00 3.00 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 0.00 675 G 7.79 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 0.00 676 E 7.55 3.39 0.00 1.97 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 2.33 2.19 0.00 677 K 7.78 3.73 0.00 1.64 1.75 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.25 1.26 7.81 678 L 7.87 3.70 0.00 1.91 1.68 0.60 0.49 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 0.00 679 A 8.00 4.15 1.59 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 0.00 0.00 680 M 8.14 4.05 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.57 0.00 681 T 7.36 3.71 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 0.71 0.00 0.00 682 Y 7.62 4.77 0.00 2.94 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 0.00 683 G 7.77 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 684 A 8.25 4.71 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 0.00 685 L 8.57 4.38 0.00 1.66 1.62 0.93 0.76 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 0.00 686 F 8.46 5.51 0.00 3.01 2.93 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 0.00 687 C 7.42 4.32 0.00 2.89 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 688 E 8.35 4.94 0.00 1.80 1.76 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 2.29 2.27 0.00 689 T 8.70 4.85 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 1.28 0.00 0.00 690 S 8.76 4.57 0.00 3.77 3.75 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 0.00 691 A 8.47 3.86 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 692 K 7.75 2.48 0.00 0.79 1.35 0.00 1.47 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.01 0.47 7.81 693 D 7.70 4.50 0.00 2.72 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 694 G 8.18 3.79 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 0.00 0.00 0.00 695 S 8.40 3.92 0.00 3.77 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 0.00 696 N 8.88 4.47 0.00 2.93 2.87 0.00 0.00 7.63 7.24 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 0.00 697 I 7.32 3.30 1.59 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.63 0.20 0.00 0.00 698 V 7.50 3.54 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 1.12 0.00 0.00 0.86 0.00 0.00 699 E 8.21 3.82 0.00 2.20 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 2.37 2.40 0.00 700 A 8.18 4.07 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 701 V 7.56 3.53 2.26 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 0.87 0.00 0.00 1.18 0.00 0.00 702 L 8.07 3.93 0.00 1.78 1.64 0.87 1.41 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 0.00 703 H 8.23 4.17 0.00 3.35 3.33 0.00 5.64 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 0.00 704 L 7.96 3.90 0.00 1.76 1.80 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 705 A 8.49 3.82 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 0.00 706 R 8.12 3.78 0.00 2.03 1.97 0.00 3.14 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 707 E 7.70 3.94 0.00 1.87 2.08 0.00 0.00 0.00 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 2.34 0.00 708 V 7.74 3.65 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 0.62 0.00 0.00 0.94 0.00 0.00 709 K 8.01 3.93 0.00 1.77 1.78 0.00 1.72 0.00 0.00 1.48 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 0.92 7.81 710 K 7.34 4.47 0.00 1.95 1.86 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.47 7.81 711 R 7.74 4.22 0.00 1.89 1.75 0.00 3.26 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.77 0.00 * Residues marked with a * may have inaccurate shift predictions.