NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 534 Y 4.5310 8.0027 121.6882 57.4252 40.1057 173.5951 535 D 4.3117 7.4374 125.0138 50.6207 43.9037 173.1192 536 P 4.2410 0.0000 0.0000 65.0894 31.7463 178.2167 537 I 3.5641 7.7821 118.3301 64.4015 36.9085 177.9547 538 H 4.3470 8.5403 118.6561 59.3046 29.8387 176.6490 539 E 4.0616 8.2500 121.1453 59.4877 29.5068 177.9839 540 Y 4.0248 8.1838 119.5060 60.7612 38.7928 178.3030 541 V 3.2719 7.9949 118.9789 66.1817 31.7064 177.7061 542 N 4.5120 8.3544 116.0575 56.5253 38.0856 176.9790 543 H 4.1119 7.8411 118.9773 59.2281 30.2693 176.9912 544 E 3.9450 7.9019 120.3559 59.3061 29.3057 178.9942 545 L 4.0445 8.2304 120.8045 58.2622 41.8629 178.9828 546 R 4.2367 7.6657 118.8429 58.6780 30.0176 178.2771 547 K 4.1921 8.0108 117.3854 57.9494 32.2501 178.3170 548 R 4.6036 7.7429 118.1357 55.8794 30.7062 177.9038 549 E 2.6737 8.1266 121.8572 59.1710 29.2013 178.3416 550 N 4.3262 7.8674 114.9730 55.2300 37.2464 176.1339 551 E 4.3191 7.7983 120.5786 57.8872 29.9021 176.8446 552 F 5.1558 7.4911 112.7620 56.2310 39.9636 174.4211 553 S 5.2414 7.8914 113.1657 57.4452 66.9552 173.1326 554 E 4.8300 9.0552 121.7109 54.9098 33.1287 174.5278 555 H 5.4791 8.9184 119.7333 54.0409 31.8400 173.2139 556 K 4.7223 9.0310 122.0321 54.9734 35.9435 174.2573 557 N 5.3331 8.7204 122.2407 51.6662 41.1150 173.7655 558 V 4.5757 8.7742 123.6670 60.9628 34.4662 174.3880 559 K 4.8647 9.1975 127.5914 55.7009 33.7872 175.7681 560 I 5.0271 8.9002 125.5354 59.3833 41.0223 174.0354 561 F 4.9068 8.9475 129.4633 56.2872 41.6545 173.9916 562 V 4.7571 8.4134 126.5282 60.9523 33.9431 174.0676 563 A 5.3262 8.9330 129.2719 50.2302 22.6007 174.5660 564 S 5.5069 9.5223 115.5977 56.9949 66.5470 172.5815 565 Y 4.9249 8.9451 127.5703 56.7121 41.9539 173.3390 566 N 4.9686 9.0268 126.7477 52.6466 38.9274 174.6812 567 L 3.5627 8.7746 127.3514 55.2319 41.9921 177.4540 568 N 4.4536 9.0434 115.8487 54.4929 37.7742 174.6180 569 G 3.9936 8.4680 101.9225 45.1608 0.0000 174.6007 570 C 4.4135 7.8722 114.1350 57.5487 30.2502 173.8714 571 S 4.0841 8.3207 116.9284 57.9669 63.0721 174.4072 572 A 2.0000 7.4513 126.4525 52.0584 18.4543 176.8298 573 T 4.2603 6.7007 113.6006 61.4125 69.9896 173.4662 574 T 4.3883 8.2728 115.2253 61.9773 69.7719 175.9619 575 K 5.3778 7.7425 123.4647 55.3153 30.5753 176.4176 576 L 5.1387 7.6994 116.2970 53.9278 43.9977 178.4669 577 E 4.0426 8.6799 121.4273 60.0671 29.0859 179.0641 578 N 4.3996 8.2469 114.3157 55.3546 38.6309 176.7211 579 W 4.6285 7.9865 129.2258 60.0727 31.2416 177.8460 580 L 3.3658 7.4319 116.0707 55.2314 42.3205 176.8016 581 F 4.9982 7.5472 116.5238 55.7787 39.3046 173.7218 582 P 4.3479 0.0000 0.0000 64.6604 31.9802 176.8110 583 E 4.5743 7.8509 115.4786 54.7077 32.2649 175.6583 584 N 4.7110 8.3390 118.9265 52.4691 37.4382 172.4517 585 T 4.7619 8.6513 109.8450 58.8297 72.8480 172.6441 586 P 4.4468 0.0000 0.0000 62.0484 31.8721 176.8387 587 L 4.1835 8.2640 120.3688 54.8025 42.1532 177.2388 588 A 4.3487 8.3049 124.9245 51.9290 19.3645 177.6569 589 D 4.7757 8.8350 119.3720 56.7453 42.2693 177.2533 590 I 5.2925 7.6726 118.3990 59.7198 41.3731 173.9751 591 Y 4.8546 9.3701 124.9868 56.2009 40.3956 174.7921 592 V 4.5356 9.0993 124.9919 61.1293 34.0356 174.2330 593 V 4.8287 9.0753 128.9247 60.9963 34.2296 174.2988 594 G 4.6568 9.6248 115.4248 44.5025 0.0000 171.7063 595 F 5.7167 9.3689 123.3142 55.7493 42.4051 174.5511 596 Q 4.8942 8.9282 120.4238 54.0805 32.7040 175.0503 597 E 4.1929 8.6310 116.9721 56.2439 26.8169 176.9104 598 I 3.5943 7.9446 120.7978 63.4040 37.5355 176.8971 599 V 4.6050 7.5328 119.7727 60.2662 33.4787 174.3135 600 Q 4.3343 8.7609 128.2007 56.4404 29.4036 175.6831 601 L 4.4298 8.5144 125.3455 54.8324 42.6293 176.5636 602 T 4.2997 8.3722 117.3895 65.2106 71.0775 175.3189 *608 S 4.0884 7.9651 112.4342 57.0441 63.5331 169.5834 609 A 3.6527 8.2564 127.0492 51.5768 17.9250 178.0371 610 D 4.7905 8.2448 122.0701 52.1066 42.1288 174.4078 611 P 4.5708 0.0000 0.0000 64.6584 31.6068 178.2532 612 A 3.9974 8.0311 119.2072 55.2453 18.3405 179.7362 613 K 4.1442 8.6924 117.2886 59.4729 32.0166 179.6172 614 R 4.0883 8.0316 118.7088 59.6766 30.0064 178.8911 615 R 4.0302 8.4205 117.8618 59.0172 29.8761 178.9545 616 E 3.9083 8.0192 118.4485 59.0561 29.3600 179.3040 617 W 4.1015 7.9581 118.6585 59.7187 29.0657 178.2534 618 E 4.3533 8.7294 118.8268 59.8508 28.9923 179.4980 619 S 4.1667 8.4161 113.0356 61.5219 62.4255 176.0064 620 C 4.1228 8.3304 119.7299 62.7744 27.8788 176.2517 621 V 3.4495 8.3575 120.2653 65.7655 31.1270 177.8980 622 K 3.5364 8.0908 119.4294 59.5049 32.0316 178.9481 623 R 3.9084 8.0832 118.3149 59.0749 29.7424 178.8454 624 L 3.9712 7.6366 119.0692 58.1866 42.0726 178.6988 625 L 3.9654 8.0055 119.3512 57.8302 41.4492 179.2471 626 N 4.6193 8.4099 116.3949 55.8036 38.2946 177.6918 627 G 3.8816 8.0452 106.5190 47.0668 0.0000 174.9444 628 K 4.2325 7.4457 117.9022 56.3454 33.6494 177.4425 629 C 4.5696 7.9429 119.4828 58.3312 26.6856 173.5345 630 T 4.0411 7.9072 112.8465 63.0676 69.2874 175.9021 631 S 4.5672 7.6312 116.2175 56.9964 65.5994 175.3540 632 G 3.8348 8.6481 113.5972 44.5202 0.0000 170.7574 633 P 4.3031 0.0000 0.0000 63.3116 32.9028 176.3778 634 G 4.1740 8.2712 110.0630 46.2121 0.0000 172.7247 635 Y 5.1179 9.8393 122.6825 56.1449 40.8506 175.3091 636 V 4.7266 8.7583 114.3454 59.5751 36.1907 174.5373 637 Q 4.1583 8.7096 124.5660 55.4075 29.0250 175.4019 638 L 3.9664 8.8670 129.9020 57.2888 42.5769 176.4621 639 R 4.6009 7.0334 115.7704 55.7741 33.2022 172.7926 640 S 5.2179 8.6804 116.7961 56.9830 66.6374 172.8666 641 G 4.4023 9.1537 106.9550 45.3242 0.0000 171.4583 642 Q 5.0650 8.3785 119.5154 54.5375 32.1648 173.3987 643 L 4.5980 8.9532 126.0716 53.6797 44.8662 178.2401 644 V 3.1800 8.3160 129.0360 64.2927 31.6827 173.8870 645 G 3.9790 8.9745 107.0450 45.7631 0.0000 172.3299 646 T 5.0485 8.1870 118.2404 62.3329 70.2132 173.8907 647 A 5.2358 9.3841 127.1694 50.2489 23.4717 174.3929 648 L 5.4221 9.0120 121.5483 53.4646 45.5150 175.2994 649 M 5.2545 9.4815 122.9834 53.6508 35.1438 173.9940 650 I 4.9857 8.5074 121.9780 59.6035 40.6335 174.4479 651 F 5.5702 9.4980 125.8272 55.9369 42.3634 174.2285 652 C 5.6405 9.1446 115.6658 56.2958 33.7966 173.3836 653 K 3.7345 8.7501 119.0522 56.2380 32.3619 178.3814 654 E 3.8997 8.8527 123.8047 59.7047 29.1875 180.0626 655 S 4.2224 7.8980 112.4517 61.0268 63.3610 175.5339 656 C 4.3408 8.1842 120.3379 61.5958 28.0507 175.4004 657 L 3.8755 7.6056 121.2980 57.5053 41.0399 177.7973 658 P 4.2621 0.0000 0.0000 65.0980 31.6165 177.4167 659 S 4.1938 7.9792 113.4960 59.1864 63.1962 173.5944 660 I 4.7347 7.1716 121.9739 59.7487 37.9550 175.1720 661 K 4.6299 8.6152 123.8208 55.2186 36.3816 175.3052 662 N 4.2919 8.7092 114.1170 54.4035 35.9237 175.3254 663 V 4.2073 7.8017 117.0483 63.1667 32.5022 175.1819 664 E 4.9252 9.2906 126.4568 54.7549 33.9685 174.7583 665 G 4.7599 8.6664 107.7507 45.6043 0.0000 170.9396 666 T 4.6494 8.8443 114.7372 61.5021 71.5382 172.0678 667 V 4.9201 7.9586 115.4190 59.8972 36.4257 175.2953 668 K 4.5246 8.8564 123.4192 55.1816 35.4218 175.4973 669 K 4.7549 8.7149 127.2814 56.8214 33.8352 176.5997 670 T 4.1260 8.3474 112.2554 62.7158 70.2345 174.7682 671 G 3.5511 8.9178 111.2960 44.9580 0.0000 172.8867 672 L 3.2471 9.3976 121.6366 56.8901 43.0744 173.6609 *677 G 3.7455 7.6695 105.8790 45.6864 0.0000 172.0267 678 N 4.8774 8.7199 118.1028 52.6419 39.4688 174.7661 679 K 4.5505 8.4525 118.4650 54.2342 34.4949 177.1039 680 G 4.0987 7.0220 106.2389 45.9153 0.0000 171.0214 681 A 5.2174 8.2993 120.5222 50.1536 23.0714 175.8876 682 V 4.7721 8.8140 119.3937 61.0124 34.8494 174.3979 683 A 5.3409 9.1461 128.5785 50.3413 22.8072 174.7591 684 I 5.4359 9.1996 121.5755 59.6223 41.4889 174.8399 685 R 5.1121 8.5590 122.2376 54.6111 33.3077 173.8433 686 F 5.1407 8.1632 112.9348 56.7069 41.5676 172.1357 687 D 5.3321 9.2404 119.8889 52.8613 43.5627 175.2152 688 Y 4.7899 9.2655 124.4330 55.3668 40.6322 175.7466 689 E 3.5392 9.0338 130.2682 58.2794 29.0858 175.5258 690 D 4.9104 9.3383 125.7736 55.4050 41.0959 175.4269 691 T 4.6539 8.2156 116.8575 61.7483 71.3508 173.5612 692 G 4.2958 9.4258 114.0317 44.4850 0.0000 172.5379 693 L 5.1494 8.7288 124.8897 52.8167 45.5565 175.1276 694 C 4.7241 8.4589 122.3651 57.4647 34.9015 172.4127 695 F 5.4410 9.3897 124.9477 55.8189 41.8132 174.5049 696 I 4.9060 9.2185 123.6939 59.7889 40.6756 174.3081 697 T 4.9883 8.6143 121.3851 59.7505 70.4518 172.9267 698 S 5.3305 8.4274 120.8615 57.6516 68.6435 172.4536 699 H 5.1695 9.4578 120.3403 55.0644 32.4287 172.7439 700 L 4.8530 8.9693 126.2312 52.6082 44.0377 176.2972 701 A 4.0543 8.7200 121.6487 52.9324 18.4537 177.8577 702 A 4.3310 9.1640 124.6017 51.0540 20.2628 175.4514 703 G 4.5996 8.3896 103.8174 44.6663 0.0000 173.6029 704 Y 4.3562 8.6222 125.6618 60.5940 39.0011 177.0273 705 T 4.1446 7.8308 106.5301 61.8910 70.3673 174.4371 706 N 4.5267 7.7265 122.8315 52.3388 36.7260 175.8854 707 Y 4.1176 7.1249 118.0403 60.4772 38.8166 177.3442 708 D 4.3480 7.2899 120.8952 57.1870 40.8470 177.9989 709 E 3.9553 7.9411 119.4998 59.2450 29.7354 178.8572 710 R 3.8433 7.7088 118.1660 59.3368 30.0173 178.7698 711 D 4.4924 8.6123 119.1263 57.6298 40.7163 178.2992 712 H 4.2316 8.4392 118.8318 59.3357 29.7957 177.1041 713 D 4.2452 8.2866 120.9454 57.2432 40.5656 177.9624 714 Y 3.7115 7.9751 120.0652 60.8058 38.7423 178.5938 715 R 3.7204 8.0005 118.7975 59.3703 30.0634 179.2050 716 T 3.7836 7.9581 115.7497 66.6940 68.4293 176.8245 717 I 3.6445 7.8791 121.5086 64.2131 36.9782 178.3547 718 A 3.9345 7.9615 121.0155 55.1648 18.2495 179.4291 719 S 4.4469 8.0956 112.8187 60.8721 63.1762 176.4275 720 G 3.8122 7.9338 107.3372 45.0015 0.0000 173.8473 721 L 3.9340 7.3078 123.6938 54.6367 42.3719 176.3396 722 R 4.6888 7.8687 124.1384 54.6667 34.4781 175.1710 723 F 4.8048 8.8381 125.7496 57.0654 39.7220 175.8962 724 R 4.0928 8.5758 123.5666 58.5304 30.4613 176.6260 725 R 3.6981 9.4342 117.9308 57.4606 27.6693 177.2668 726 G 3.9140 8.5388 102.0774 45.8956 0.0000 174.4983 727 R 3.9379 8.0108 121.2272 56.3438 30.7157 176.6319 728 S 4.9493 8.7664 120.1298 56.5342 65.0204 175.0098 729 I 4.0015 7.9362 113.1805 63.3912 37.4399 177.2077 730 F 4.4987 7.7047 118.4945 59.4902 39.4516 175.7457 731 N 4.7781 7.5146 118.9604 52.8085 37.5166 174.4823 732 H 4.8219 7.4624 113.0747 54.0276 33.5675 174.0486 733 D 4.3210 8.5835 121.9540 56.9819 41.8092 176.0563 734 Y 5.1634 7.8383 115.2714 56.0835 41.9674 175.0826 735 V 4.6761 8.9358 122.9679 61.0290 35.3583 174.1552 736 V 5.1097 8.6299 127.0397 60.9418 34.5810 173.7352 737 W 5.7991 9.7368 135.0000 55.8280 33.7250 174.0873 738 F 4.8765 9.7171 121.3400 56.2504 41.3883 172.6883 739 G 4.1142 7.6596 105.1415 44.6225 0.0000 173.3068 740 D 5.0158 8.1571 119.2585 53.0601 40.0035 177.7944 741 F 4.7183 8.8539 124.0590 58.1286 39.4699 177.2860 742 N 4.3571 8.2915 116.4763 53.5343 36.6246 173.9740 743 Y 4.3646 7.7191 115.6807 58.2483 38.8029 175.2879 744 R 4.8807 9.3909 120.9101 54.4980 34.6072 174.4051 745 I 4.7133 8.2604 120.7905 59.7285 38.1163 177.4120 746 S 4.6007 8.5314 127.3678 58.2516 60.7840 172.6993 747 L 4.8143 7.5689 118.5051 52.3610 46.2119 177.3090 748 T 4.3351 8.8210 110.8987 60.9517 71.2189 175.0089 749 Y 3.8918 8.5168 122.6045 61.1413 38.4612 178.5111 750 E 4.1146 8.2193 116.1313 59.0938 30.1937 178.4500 751 E 4.0808 7.7777 119.9873 59.1252 29.5497 179.2459 752 V 3.4990 7.9457 118.6473 65.7232 31.5432 178.0262 753 V 3.1564 7.3356 118.2404 65.5432 31.3015 176.3333 754 P 4.2155 0.0000 0.0000 65.9424 31.1793 178.0930 755 C 4.1710 7.6591 116.0783 62.4195 27.9892 176.0446 756 I 3.6508 7.8377 114.8417 64.0571 36.9556 178.2682 757 A 4.1011 8.0224 121.6388 54.2805 18.2253 178.5694 758 Q 4.4163 7.8840 114.2296 55.2956 29.0027 176.4776 759 G 3.9211 7.8569 107.7787 46.7782 0.0000 175.8750 760 K 4.4347 7.9860 119.9770 55.5819 29.2279 178.1249 761 L 4.3533 7.6838 122.2323 57.9739 42.0410 179.4240 762 S 4.1751 8.1609 113.9408 61.8492 63.0145 175.6772 763 Y 4.3746 8.1498 121.5495 60.8866 38.5966 177.9664 764 L 4.0888 8.2302 119.4947 57.7425 41.7273 179.2565 765 F 4.3118 8.8894 120.7615 61.0446 39.0319 176.8495 766 E 3.8486 7.9844 117.0817 58.2376 29.2847 177.0874 767 Y 4.1616 7.7843 115.8287 57.3415 38.8236 174.5484 768 D 4.8585 7.7483 121.5944 54.0401 42.3896 177.0000 769 Q 3.7803 9.1478 127.0780 58.7320 28.7287 178.7122 770 L 2.9950 7.7016 120.9267 57.7845 42.1680 178.1615 771 N 4.0116 8.4304 117.3733 56.4934 38.3652 176.6367 772 K 3.6657 7.3935 120.2243 59.6838 32.4268 178.9012 773 Q 3.7064 7.8570 118.1279 58.8638 28.5581 178.4965 774 M 4.2171 8.2150 120.4587 58.1281 31.7281 178.5987 775 L 3.9337 7.7338 118.7888 57.5561 41.8327 178.6930 776 T 4.2129 7.1642 106.7112 61.2435 69.2129 175.9258 777 G 3.7977 7.8943 109.5897 45.8102 0.0000 175.1122 778 K 4.0434 7.7324 118.9635 58.6689 32.2279 177.6925 779 V 3.4628 6.7064 108.0152 59.7153 35.6400 175.0092 780 F 3.5024 5.4600 118.2498 57.6130 36.3611 174.2612 781 P 4.2788 0.0000 0.0000 64.0236 31.9573 176.8062 782 F 3.8550 8.0907 117.2904 58.1014 36.7211 174.8478 783 F 4.7086 8.1105 119.3725 56.5343 40.3641 175.4190 784 S 4.7947 8.6145 117.5824 56.6358 66.5351 172.6621 785 E 4.9476 8.3331 121.5509 54.2164 32.2808 175.5716 786 L 4.2761 8.3632 125.7878 53.6521 42.5615 175.1748 787 P 4.0043 0.0000 0.0000 62.7886 31.7569 176.2398 788 I 3.6046 7.3226 123.3795 60.4133 37.4248 175.7341 789 T 4.3786 8.1736 114.3168 60.9433 69.3866 173.6662 790 F 5.0563 6.8004 116.4822 54.4647 40.2653 173.6789 791 P 4.6548 0.0000 0.0000 61.4352 31.9247 174.6792 792 P 3.3815 0.0000 0.0000 63.6214 31.4586 176.6678 793 T 4.7418 8.7984 111.4702 62.1580 69.7025 173.4592 794 Y 4.8507 7.5710 123.0518 57.0767 42.1373 171.0631 795 K 3.0515 7.9162 128.4650 56.0597 29.3041 174.2274 796 F 5.0967 8.5214 122.0608 54.8489 42.1555 174.7280 797 D 4.6102 9.1158 122.1954 54.3457 41.8942 176.0800 798 I 3.9901 8.3641 123.8143 62.6887 37.5179 176.7983 799 G 3.9937 9.4391 115.2919 45.5861 0.0000 172.4201 800 T 4.6309 7.5292 107.9932 60.1626 71.8392 173.2630 801 D 4.7125 8.6518 118.3472 54.2034 41.0866 176.2561 802 I 4.4801 7.6586 121.6457 59.6526 38.7229 175.0149 803 Y 4.1325 8.9140 122.7314 58.1298 38.3895 175.7691 804 D 4.4532 8.5519 123.6573 54.3804 39.0606 175.9695 805 T 4.5314 8.8542 116.6396 61.2224 69.4225 175.3044 806 S 4.3604 8.3451 118.5208 57.8250 63.7260 174.9278 807 D 4.2659 8.3362 120.0999 55.7257 39.2923 177.9507 808 K 3.8784 8.1173 119.0379 59.8887 32.1699 178.9741 809 H 3.7504 7.3113 113.3725 56.9504 23.8226 172.7613 810 R 4.1818 8.9085 120.7466 55.1373 30.9382 177.1368 811 V 3.7623 8.2419 122.8794 61.9672 32.2239 173.9042 812 P 4.5458 0.0000 0.0000 63.3101 31.6786 175.1650 813 A 4.3599 8.8845 122.1358 50.8235 23.0914 176.1348 814 W 5.0557 8.6230 121.2773 56.0941 26.7884 176.5007 815 T 4.3743 8.2986 113.8304 63.8851 70.3082 174.9245 816 D 5.4087 7.8279 122.1906 52.9277 42.0220 176.5374 817 R 5.0581 8.8809 121.7968 54.6698 35.2924 174.2004 818 I 4.9896 8.9255 121.5897 59.7306 40.2288 175.0341 819 L 5.3078 9.1396 126.6075 53.1237 45.5836 175.1606 820 Y 5.5969 8.7919 118.6071 55.5712 42.0817 173.9363 821 R 4.4128 9.4718 120.7144 55.7128 33.5725 174.7279 822 G 4.4489 8.9462 110.4232 45.6446 0.0000 172.8220 823 E 4.4821 8.4988 116.8531 56.3176 29.1831 177.7585 824 L 3.6442 7.7615 117.6576 54.5315 42.7473 177.3112 825 V 4.2530 8.1533 121.8377 60.6258 32.7373 173.1444 826 P 4.1087 0.0000 0.0000 63.2802 31.7704 173.9124 827 H 4.6174 8.8571 116.8598 55.2362 30.9163 174.0271 828 S 4.7932 8.3630 113.9640 57.6400 66.4570 173.2731 829 Y 4.7667 8.0508 123.2194 57.3983 40.3903 173.4892 830 Q 4.1182 8.1183 125.3471 54.3545 33.9785 174.1571 831 S 4.6638 7.5144 114.9480 56.8937 65.3229 173.4779 832 V 4.3514 7.8894 119.9469 60.5482 34.3797 174.7688 833 P 4.0712 0.0000 0.0000 61.1869 29.4643 174.8591 834 L 4.5076 7.0008 119.7068 52.9444 44.4948 176.1239 835 Y 4.5092 7.6296 117.9775 58.0201 38.6859 177.2587 836 Y 4.5459 7.1269 119.2273 59.9281 38.1434 175.0045 837 S 4.8963 7.8589 112.5948 56.1607 65.8530 172.6002 838 D 5.0947 8.6131 119.2176 53.6787 40.2356 175.5022 839 H 5.7320 8.4471 116.5115 54.4177 31.5826 174.0337 840 R 4.3286 8.9398 120.7802 54.6404 31.4068 174.9043 841 P 4.2629 0.0000 0.0000 62.4054 33.0261 174.6774 842 I 5.0805 8.6257 113.7849 59.7483 41.7227 173.1626 843 Y 5.2756 8.4615 119.5606 55.9695 41.7635 173.4503 844 A 4.9022 8.9004 121.1209 50.4200 23.0943 175.2191 845 T 4.8208 8.0292 109.6407 60.1705 72.2033 172.6176 846 Y 5.2189 8.7019 119.2902 56.7089 43.2652 173.5886 847 E 5.1010 9.1718 120.3886 54.5550 32.8647 175.0489 848 A 4.5034 8.9539 125.6292 49.7709 21.8859 174.6028 849 N 5.0926 8.8201 122.0866 53.1320 39.8854 174.1981 850 I 4.7189 9.4304 127.7080 59.5476 40.5799 174.6902 851 V 4.7429 8.6522 124.7727 60.8865 34.9214 174.0132 852 K 4.9028 9.1859 129.1429 54.7661 34.4224 174.5180 853 V 4.7928 8.8171 128.4183 61.5842 33.2060 175.9426 854 D 4.6301 9.3302 128.1935 53.4461 40.8383 176.8021 855 R 3.9006 8.3801 127.0582 58.8063 30.3417 178.3285 856 E 3.8599 8.1226 118.6723 59.3228 29.8831 178.6703 857 K 3.9632 8.6651 119.8883 59.3481 32.1223 178.6131 858 K 3.4669 7.9551 120.0239 58.8923 31.9554 178.8131 859 K 3.8563 8.1020 120.0837 59.1792 31.9475 179.0303 860 I 3.6994 7.6099 119.8097 64.3394 37.1146 178.1882 861 L 3.9770 7.6644 119.2698 57.8183 41.4327 179.1386 862 F 3.8921 8.3013 120.4866 61.6077 39.2007 176.9453 863 E 4.0987 8.6378 118.0023 59.3883 29.1974 178.9822 864 E 3.9329 8.4977 119.4148 59.4448 29.7744 178.7402 865 L 3.9750 8.3358 119.2830 58.0563 41.6912 179.0293 866 Y 3.7536 8.2272 119.6754 60.5940 38.6346 177.9458 867 N 4.3854 8.6193 117.6906 56.4672 38.7657 176.9436 868 Q 3.9295 8.2666 121.2102 59.5207 29.0369 178.7996 869 R 3.6864 7.9284 119.4633 59.0659 30.1162 178.3850 870 K 3.7886 7.8523 119.5946 59.3056 32.0832 178.6746 871 Q 3.9409 8.4110 120.4859 58.7853 28.9643 177.4866 872 E 3.8411 8.1062 120.4952 59.4486 29.4530 179.1572 873 V 3.5435 7.4845 116.7324 65.5106 31.8187 177.8456 874 R 3.9785 7.6424 118.2811 59.4900 30.0366 178.1009 875 D 4.3101 8.4047 118.8608 57.4770 40.6322 178.7034 876 A 4.1934 7.8594 119.8228 55.1241 18.3989 179.0725 877 S 4.3348 7.7342 110.9866 59.5970 63.2040 174.4521 878 Q 4.2270 8.2781 126.5429 55.9043 28.7155 175.2810 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 534 Y 8.00 4.53 0.00 3.03 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 535 D 7.44 4.31 0.00 2.79 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 0.00 536 P 0.00 4.24 0.00 2.14 2.16 0.00 3.77 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 537 I 7.78 3.56 1.49 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.37 -0.07 0.00 0.00 538 H 8.54 4.35 0.00 3.65 3.53 0.00 5.68 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 0.00 539 E 8.25 4.06 0.00 2.22 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 2.44 2.48 0.00 540 Y 8.18 4.02 0.00 3.10 3.16 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 0.00 541 V 7.99 3.27 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 0.38 0.00 0.00 0.91 0.00 0.00 542 N 8.35 4.51 0.00 3.05 2.97 0.00 0.00 6.73 7.74 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 0.00 543 H 7.84 4.11 0.00 3.27 3.38 0.00 5.75 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 544 E 7.90 3.95 0.00 1.81 1.79 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 1.54 1.76 0.00 545 L 8.23 4.04 0.00 2.02 1.80 1.01 0.83 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 0.00 546 R 7.67 4.24 0.00 2.12 2.04 0.00 3.13 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 547 K 8.01 4.19 0.00 1.91 1.82 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.41 1.50 7.81 548 R 7.74 4.60 0.00 1.95 2.15 0.00 3.36 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.80 0.00 549 E 8.13 2.67 0.00 1.83 1.73 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 0.00 2.23 2.50 0.00 550 N 7.87 4.33 0.00 2.80 2.87 0.00 0.00 6.04 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 0.00 551 E 7.80 4.32 0.00 2.22 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 2.36 2.30 0.00 552 F 7.49 5.16 0.00 3.09 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 0.00 553 S 7.89 5.24 0.00 3.62 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.06 4.83 0.00 1.90 1.81 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 2.22 2.26 0.00 555 H 8.92 5.48 0.00 2.96 3.21 0.00 5.85 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 0.00 556 K 9.03 4.72 0.00 1.83 1.63 0.00 1.68 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.44 7.81 557 N 8.72 5.33 0.00 2.75 2.68 0.00 0.00 6.42 7.68 0.00 0.00 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 V 8.77 4.58 1.83 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 0.81 0.00 0.00 0.24 0.00 0.00 559 K 9.20 4.86 0.00 1.74 1.69 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.40 7.81 560 I 8.90 5.03 2.01 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.82 1.01 0.00 0.00 561 F 8.95 4.91 0.00 2.54 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 0.00 0.00 0.00 562 V 8.41 4.76 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 0.08 0.00 0.00 1.05 0.00 0.00 563 A 8.93 5.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 564 S 9.52 5.51 0.00 4.30 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 565 Y 8.95 4.92 0.00 2.29 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 0.00 566 N 9.03 4.97 0.00 2.61 2.40 0.00 0.00 7.29 7.78 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 0.00 567 L 8.77 3.56 0.00 1.82 1.50 -0.01 -0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 568 N 9.04 4.45 0.00 3.07 2.91 0.00 0.00 7.18 8.03 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 0.00 569 G 8.47 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 0.00 0.00 0.00 570 C 7.87 4.41 0.00 3.16 3.09 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 0.00 571 S 8.32 4.08 0.00 3.70 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 572 A 7.45 2.00 0.08 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 0.00 0.00 0.00 0.00 0.00 573 T 6.70 4.26 3.92 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 1.01 0.00 0.00 574 T 8.27 4.39 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 1.19 0.00 0.00 575 K 7.74 5.38 0.00 1.99 2.02 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.37 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.50 1.58 7.81 576 L 7.70 5.14 0.00 1.81 2.07 1.55 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 577 E 8.68 4.04 0.00 2.15 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 2.50 2.62 0.00 578 N 8.25 4.40 0.00 2.75 2.93 0.00 0.00 6.80 7.68 0.00 0.00 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 W 7.99 4.63 0.00 3.06 3.37 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 0.00 580 L 7.43 3.37 0.00 0.67 0.13 -0.47 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 581 F 7.55 5.00 0.00 3.04 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 0.00 582 P 0.00 4.35 0.00 2.14 2.13 0.00 3.62 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.69 0.00 583 E 7.85 4.57 0.00 2.11 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 2.27 2.41 0.00 584 N 8.34 4.71 0.00 2.69 2.80 0.00 0.00 6.73 7.70 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 0.00 585 T 8.65 4.76 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 1.26 0.00 0.00 586 P 0.00 4.45 0.00 2.08 2.04 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 587 L 8.26 4.18 0.00 1.83 1.89 0.97 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 588 A 8.30 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 589 D 8.84 4.78 0.00 2.82 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 0.00 590 I 7.67 5.29 1.95 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.99 0.97 0.00 0.00 591 Y 9.37 4.85 0.00 2.97 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 0.00 592 V 9.10 4.54 1.83 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 1.09 0.00 0.00 -0.00 0.00 0.00 593 V 9.08 4.83 2.17 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 0.51 0.00 0.00 0.90 0.00 0.00 594 G 9.62 4.66 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 0.00 595 F 9.37 5.72 0.00 2.98 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 0.00 596 Q 8.93 4.89 0.00 1.90 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.30 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 597 E 8.63 4.19 0.00 2.34 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 2.41 2.31 0.00 598 I 7.94 3.59 1.91 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 0.89 1.09 1.02 0.00 0.00 599 V 7.53 4.61 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 1.04 0.00 0.00 0.97 0.00 0.00 600 Q 8.76 4.33 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.70 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 601 L 8.51 4.43 0.00 1.78 1.62 0.96 0.79 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 0.00 602 T 8.37 4.30 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 1.23 0.00 0.00 *608 S 7.97 4.09 0.00 3.87 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 0.00 609 A 8.26 3.65 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 0.00 610 D 8.24 4.79 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 0.00 611 P 0.00 4.57 0.00 2.22 2.12 0.00 3.96 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 612 A 8.03 4.00 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 0.00 613 K 8.69 4.14 0.00 2.00 1.98 0.00 1.82 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.45 7.81 614 R 8.03 4.09 0.00 2.08 2.17 0.00 3.21 0.00 0.00 3.47 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.82 0.00 615 R 8.42 4.03 0.00 2.05 2.01 0.00 3.21 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.88 0.00 616 E 8.02 3.91 0.00 2.01 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 0.00 2.23 2.49 0.00 617 W 7.96 4.10 0.00 3.46 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 0.00 618 E 8.73 4.35 0.00 2.32 2.39 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 2.56 2.75 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0.00 722 R 7.87 4.69 0.00 1.68 1.72 0.00 3.42 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 723 F 8.84 4.80 0.00 2.97 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 0.00 724 R 8.58 4.09 0.00 2.01 1.89 0.00 3.32 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 725 R 9.43 3.70 0.00 1.96 2.01 0.00 3.34 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 726 G 8.54 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 0.00 0.00 0.00 727 R 8.01 3.94 0.00 2.02 2.01 0.00 3.02 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.58 0.00 728 S 8.77 4.95 0.00 4.20 4.10 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 0.00 729 I 7.94 4.00 1.56 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 -0.36 0.60 0.00 0.00 730 F 7.70 4.50 0.00 3.19 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0.00 755 C 7.66 4.17 0.00 3.28 3.09 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 0.00 756 I 7.84 3.65 1.84 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.74 0.56 0.00 0.00 757 A 8.02 4.10 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 0.00 758 Q 7.88 4.42 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.28 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 759 G 7.86 3.92 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 0.00 0.00 0.00 760 K 7.99 4.43 0.00 1.86 1.88 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.58 7.81 761 L 7.68 4.35 0.00 1.78 1.97 1.09 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 762 S 8.16 4.18 0.00 3.92 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 0.00 763 Y 8.15 4.37 0.00 3.13 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0.00 0.58 0.00 0.00 0.76 0.00 0.00 780 F 5.46 3.50 0.00 2.89 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.28 0.00 1.91 1.86 0.00 3.87 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.03 0.00 782 F 8.09 3.86 0.00 3.21 3.14 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 0.00 0.00 0.00 0.00 783 F 8.11 4.71 0.00 3.19 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.61 4.79 0.00 2.72 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 785 E 8.33 4.95 0.00 1.88 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 2.24 2.38 0.00 786 L 8.36 4.28 0.00 1.54 1.71 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 787 P 0.00 4.00 0.00 1.92 1.79 0.00 3.65 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 1.96 2.01 0.00 788 I 7.32 3.60 0.64 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.08 -0.80 0.00 0.00 789 T 8.17 4.38 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 1.13 0.00 0.00 790 F 6.80 5.06 0.00 3.18 3.22 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 0.00 791 P 0.00 4.65 0.00 2.34 2.19 0.00 3.97 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 792 P 0.00 3.38 0.00 1.61 1.53 0.00 3.43 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.44 0.00 793 T 8.80 4.74 4.60 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 1.50 0.00 0.00 794 Y 7.57 4.85 0.00 2.87 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 0.00 795 K 7.92 3.05 0.00 0.79 1.29 0.00 1.46 0.00 0.00 1.13 0.00 0.00 2.93 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.03 1.24 7.81 796 F 8.52 5.10 0.00 3.02 2.82 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 0.00 797 D 9.12 4.61 0.00 2.64 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.36 3.99 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.55 1.06 0.00 0.00 799 G 9.44 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 0.00 0.00 0.00 800 T 7.53 4.63 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 1.26 0.00 0.00 801 D 8.65 4.71 0.00 2.72 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 0.00 802 I 7.66 4.48 1.94 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 1.35 0.71 1.05 0.00 0.00 803 Y 8.91 4.13 0.00 2.84 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 804 D 8.55 4.45 0.00 2.68 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 0.00 805 T 8.85 4.53 4.30 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 1.37 0.00 0.00 806 S 8.35 4.36 0.00 3.97 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 0.00 807 D 8.34 4.27 0.00 2.73 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 0.00 808 K 8.12 3.88 0.00 1.72 1.89 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.55 7.81 809 H 7.31 3.75 0.00 2.93 2.75 0.00 5.67 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 810 R 8.91 4.18 0.00 1.68 1.91 0.00 3.44 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.75 0.00 811 V 8.24 3.76 2.15 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 0.86 0.00 0.00 0.83 0.00 0.00 812 P 0.00 4.55 0.00 1.29 0.94 0.00 3.32 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.19 0.00 813 A 8.88 4.36 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 0.00 814 W 8.62 5.06 0.00 3.52 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 0.00 815 T 8.30 4.37 4.53 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 0.99 0.00 0.00 816 D 7.83 5.41 0.00 2.64 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 0.00 817 R 8.88 5.06 0.00 1.31 1.80 0.00 3.45 0.00 0.00 3.64 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.89 0.00 818 I 8.93 4.99 1.78 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 1.27 0.78 1.03 0.00 0.00 819 L 9.14 5.31 0.00 1.66 1.60 -0.19 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 820 Y 8.79 5.60 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 0.00 821 R 9.47 4.41 0.00 0.67 1.19 0.00 2.96 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.31 0.00 822 G 8.95 4.45 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 0.00 823 E 8.50 4.48 0.00 2.21 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 0.00 2.38 2.34 0.00 824 L 7.76 3.64 0.00 1.08 1.17 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 825 V 8.15 4.25 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 0.94 0.00 0.00 0.91 0.00 0.00 826 P 0.00 4.11 0.00 1.93 1.67 0.00 3.67 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.03 0.00 827 H 8.86 4.62 0.00 2.86 3.15 0.00 5.82 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 828 S 8.36 4.79 0.00 3.81 3.74 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 0.00 829 Y 8.05 4.77 0.00 2.62 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 0.00 830 Q 8.12 4.12 0.00 1.17 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.48 0.00 0.00 0.00 0.00 0.00 2.11 2.43 0.00 831 S 7.51 4.66 0.00 3.71 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 0.00 832 V 7.89 4.35 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 0.89 0.00 0.00 1.24 0.00 0.00 833 P 0.00 4.07 0.00 2.09 1.86 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 834 L 7.00 4.51 0.00 1.10 1.09 0.97 0.80 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 0.00 835 Y 7.63 4.51 0.00 2.86 2.82 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 0.00 836 Y 7.13 4.55 0.00 3.02 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 0.00 837 S 7.86 4.90 0.00 3.87 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 0.00 838 D 8.61 5.09 0.00 2.89 3.01 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 0.00 839 H 8.45 5.73 0.00 3.41 3.44 0.00 5.66 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 0.00 840 R 8.94 4.33 0.00 1.63 1.71 0.00 2.89 0.00 0.00 2.79 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.47 0.00 841 P 0.00 4.26 0.00 0.49 0.49 0.00 3.29 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.47 0.00 842 I 8.63 5.08 1.64 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 1.32 0.99 0.64 0.00 0.00 843 Y 8.46 5.28 0.00 2.38 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 844 A 8.90 4.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 845 T 8.03 4.82 4.14 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 0.00 0.00 0.00 1.16 0.00 0.00 846 Y 8.70 5.22 0.00 2.85 2.62 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 0.00 847 E 9.17 5.10 0.00 1.91 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 848 A 8.95 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 849 N 8.82 5.09 0.00 2.81 2.89 0.00 0.00 7.21 7.94 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 0.00 850 I 9.43 4.72 1.97 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 0.66 0.80 1.12 0.00 0.00 851 V 8.65 4.74 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 0.85 0.00 0.00 0.80 0.00 0.00 852 K 9.19 4.90 0.00 1.86 1.66 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.49 7.81 853 V 8.82 4.79 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 1.02 0.00 0.00 1.01 0.00 0.00 854 D 9.33 4.63 0.00 2.80 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 0.00 855 R 8.38 3.90 0.00 1.84 1.92 0.00 3.31 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 856 E 8.12 3.86 0.00 2.02 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 2.37 2.36 0.00 857 K 8.67 3.96 0.00 2.08 2.00 0.00 1.94 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.53 1.51 7.81 858 K 7.96 3.47 0.00 1.30 1.62 0.00 1.40 0.00 0.00 1.34 0.00 0.00 2.71 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.95 0.21 7.81 859 K 8.10 3.86 0.00 1.95 1.73 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.28 1.50 7.81 860 I 7.61 3.70 2.04 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 1.53 0.62 0.93 0.00 0.00 861 L 7.66 3.98 0.00 1.80 1.75 1.19 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 862 F 8.30 3.89 0.00 3.15 3.15 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 0.00 863 E 8.64 4.10 0.00 2.07 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 0.00 2.68 2.50 0.00 864 E 8.50 3.93 0.00 2.04 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 0.00 2.33 2.38 0.00 865 L 8.34 3.98 0.00 1.76 1.67 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 866 Y 8.23 3.75 0.00 2.73 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 867 N 8.62 4.39 0.00 2.95 2.88 0.00 0.00 6.66 8.08 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 0.00 868 Q 8.27 3.93 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 869 R 7.93 3.69 0.00 1.57 1.92 0.00 2.78 0.00 0.00 2.70 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.24 0.00 870 K 7.85 3.79 0.00 1.80 1.73 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.33 7.81 871 Q 8.41 3.94 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.56 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 872 E 8.11 3.84 0.00 2.24 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 873 V 7.48 3.54 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 0.78 0.00 0.00 0.79 0.00 0.00 874 R 7.64 3.98 0.00 2.07 2.21 0.00 3.30 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 875 D 8.40 4.31 0.00 2.80 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 876 A 7.86 4.19 1.31 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 0.00 0.00 0.00 0.00 0.00 877 S 7.73 4.33 0.00 4.05 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 0.00 878 Q 8.28 4.23 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.55 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.