NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 525 L 4.3536 8.1429 120.7693 53.3300 42.1966 180.2539 526 P 4.2088 0.0000 0.0000 66.5195 30.9812 175.3109 527 Q 4.1672 8.4538 117.0458 58.9160 29.0851 180.9194 528 L 4.1343 7.7625 117.9305 56.9472 41.3023 179.0607 529 T 4.1781 8.2053 113.3019 60.1730 68.2165 172.5219 530 P 4.3397 0.0000 0.0000 65.0506 32.4669 176.6038 531 T 4.2341 7.6843 109.8378 59.8458 70.3010 175.7582 532 L 3.9924 8.6400 123.5452 58.2347 41.5423 180.0497 533 V 3.5872 7.9395 118.6287 65.0830 30.8203 178.2767 534 S 4.2569 8.0353 113.9708 60.6153 63.1131 176.3690 535 L 3.9411 7.7286 123.6760 58.1656 41.8163 178.6682 536 L 4.1236 8.4314 117.9082 57.7225 41.7798 179.2741 537 E 4.1496 8.0069 118.3502 59.6954 29.3075 179.8637 538 V 3.8567 7.5648 110.6293 63.4174 31.6472 177.6124 539 I 4.5009 7.3956 110.8283 59.6007 37.8775 175.1556 540 E 3.9339 7.7280 122.1560 55.7227 29.4098 174.7300 541 P 4.3745 0.0000 0.0000 62.5527 32.0041 175.6704 542 E 4.2733 8.3259 117.5919 55.3051 30.6768 176.5862 543 V 3.7598 8.1231 119.4382 62.5471 31.3218 175.6336 544 L 4.5311 8.3282 127.4704 54.4090 42.6886 175.9139 545 Y 4.5619 8.3570 118.2047 56.3419 39.8147 176.2574 546 A 4.1190 9.2177 127.0913 53.3088 18.7859 178.0952 547 G 3.8541 8.5431 102.6182 47.0831 0.0000 172.4281 548 Y 4.5604 8.1980 119.4828 55.2986 40.7154 173.9020 549 D 4.7867 7.7279 125.3773 52.9812 42.3483 176.3569 550 S 4.6114 8.5947 121.8554 59.6814 63.5577 175.6776 551 S 4.2827 8.1735 114.0312 59.2808 63.1701 174.3141 552 V 4.5317 6.9274 114.2363 58.5446 34.9173 173.5633 553 P 4.4760 0.0000 0.0000 62.7334 31.8885 175.5021 554 D 4.9882 8.0726 119.4791 52.5823 42.1570 175.8378 555 S 4.5732 7.5521 115.7830 59.2407 67.1449 177.5153 556 T 4.3625 8.1775 110.8058 64.8745 69.1822 173.2061 557 W 4.3023 8.2268 130.5298 60.4606 30.7207 178.1519 558 R 4.2968 7.7110 114.3618 59.5808 29.6991 179.1767 559 I 3.6496 7.8326 118.9928 64.4611 37.2030 178.1367 560 M 3.8542 8.3913 119.3890 58.9489 32.0886 178.5108 561 T 3.4563 8.2792 116.9451 66.4532 68.3728 177.0356 562 T 3.9623 7.8288 117.8934 66.6676 68.4673 176.9222 563 L 3.9535 7.6757 120.5614 57.3233 41.5213 179.3186 564 N 4.2434 7.6852 116.2251 56.5852 38.4661 177.1702 565 M 4.0172 7.4116 118.5019 58.2385 31.9876 178.7362 566 L 4.0203 8.0469 120.4642 58.1826 42.3902 179.0074 567 G 3.9168 8.9370 107.0042 47.8669 0.0000 175.3898 568 G 3.7041 8.4903 108.1892 48.0920 0.0000 175.9778 569 R 4.0593 8.0930 120.6701 57.9404 30.2394 178.5196 570 Q 4.1766 8.2213 119.3287 58.0303 29.0682 178.0199 571 V 3.7080 7.7830 119.7168 66.1441 31.5082 177.7742 572 I 3.7095 7.5684 119.4902 64.6252 36.9476 178.2558 573 A 4.0833 8.0431 120.9316 54.9053 18.1653 179.5264 574 A 4.1499 7.9337 119.1081 55.4562 18.4662 180.0654 575 V 3.7071 8.2799 119.3061 66.7005 31.3881 179.1155 576 K 4.0784 7.7984 122.5668 59.5890 31.7493 180.4873 577 W 4.4517 8.5472 129.3291 60.1107 30.5390 177.4830 578 A 2.6229 8.7858 120.4804 55.3076 17.5151 179.7770 579 K 3.9596 7.7944 115.1016 59.6302 32.3444 178.3608 580 A 4.2663 7.7980 118.4799 52.0751 19.0791 177.5120 581 I 3.7688 7.5999 120.7285 59.7152 37.7749 173.8952 582 P 4.1783 0.0000 0.0000 64.4671 31.9945 175.4253 583 G 4.3810 9.0701 114.1509 46.0120 0.0000 175.1484 584 F 3.8601 7.8777 122.4570 61.0180 39.4485 177.2243 585 R 3.9158 8.2680 118.5051 59.5976 29.8535 176.5351 586 N 4.6436 8.1108 112.5950 53.2978 38.2474 174.8977 587 L 4.2469 7.4453 124.3543 54.5726 43.7518 176.6899 *588 H 4.3958 8.2973 119.5553 55.9754 28.8539 172.1591 589 L 4.1023 8.5032 126.6664 57.1833 41.2145 179.3728 590 D 4.4405 8.2820 120.8541 57.3408 38.9703 179.0548 591 D 4.1628 7.8208 121.8323 58.1402 39.8819 180.9225 592 Q 4.1450 8.0136 122.3297 60.0825 28.6496 179.3895 593 M 4.1030 7.7456 120.6125 60.3780 31.3379 180.2089 594 T 3.8618 7.7178 110.0272 64.8240 68.7242 176.1578 595 L 4.0545 8.1383 123.0447 58.0116 42.1544 178.9508 596 L 4.4780 8.4215 120.7118 57.4041 41.3934 179.3044 597 Q 4.2148 9.1003 120.8263 59.6770 28.6799 178.9769 *598 Y 4.4366 8.0563 120.9456 61.8043 37.4742 180.1369 599 S 4.6915 8.5848 117.0041 60.9299 63.2482 176.3892 600 W 4.6025 8.7269 120.7124 59.9731 27.5479 177.9969 601 M 3.2405 6.6994 118.3519 57.8863 31.6840 177.4536 602 Y 3.9159 8.2389 117.3746 61.2598 38.0120 178.8972 603 L 4.1441 8.0064 119.1604 57.7983 41.7186 179.4706 604 M 4.0572 7.9828 118.1697 58.4392 31.9787 178.5840 605 A 4.0303 7.7215 120.8537 55.0382 18.4784 179.5600 606 F 4.3130 8.3010 118.6584 61.5491 39.1550 177.3548 607 A 4.3508 8.4596 121.4991 53.6911 17.9906 179.4193 608 L 3.8348 8.2900 120.1524 58.2077 42.2513 179.1292 609 G 3.5866 8.1837 105.7403 47.3508 0.0000 175.4841 610 W 3.9920 8.0290 130.4547 60.4736 30.6566 178.2913 611 R 3.6955 7.5328 116.8191 59.4790 29.0069 179.3415 612 S 3.9784 8.1427 115.0030 61.2916 62.6221 176.0974 613 Y 4.3132 8.0729 124.1140 60.1589 38.4042 177.7741 614 R 3.4250 7.4422 119.3012 57.9604 30.1774 178.5837 615 Q 4.0538 7.9383 122.8264 61.3031 28.4660 181.9317 616 S 4.7323 7.9088 115.9143 56.6033 66.8182 180.1033 617 S 5.3942 7.9186 119.3349 59.0493 62.8548 180.8086 618 A 4.1964 8.3944 122.4843 53.4451 19.0898 180.2009 619 N 3.6673 7.3200 111.0531 56.7307 38.0826 176.6298 620 L 4.3277 7.4579 120.1068 53.4796 43.8675 175.7510 621 L 4.4865 8.2478 119.9883 53.7899 44.9706 174.9014 622 C 4.8193 8.6252 125.1357 58.2903 28.4450 173.8124 623 F 4.1502 8.8183 123.5991 59.4567 39.3756 176.2177 624 A 4.4834 7.5398 120.6158 50.2011 21.7838 174.8262 625 P 4.0430 0.0000 0.0000 65.4324 31.2571 177.4606 626 D 4.6901 7.5150 113.9179 53.4188 40.3924 176.0098 627 L 4.5834 7.7256 121.6105 53.5539 41.3564 174.6754 628 I 4.5169 7.4898 120.1592 59.9021 39.7316 177.2780 629 I 4.1673 9.2659 131.6342 60.6258 37.2916 176.3271 630 N 4.6892 8.4675 127.6848 51.6843 39.3824 174.8887 631 E 4.1476 9.0143 116.4237 63.8733 29.4461 176.6166 632 Q 4.2711 8.1271 121.3825 60.3043 27.8766 180.9219 633 R 4.2438 7.5231 118.7564 58.8665 30.1823 178.1408 634 M 4.3631 7.5809 116.0662 56.5704 32.1881 177.4857 635 T 3.8967 7.7430 112.7915 65.0141 68.8788 176.6243 636 L 4.2430 7.0625 125.6450 53.9894 42.9685 180.4978 637 P 5.1352 0.0000 0.0000 61.8152 30.4157 178.1773 638 G 4.0897 9.2497 106.3411 48.5795 0.0000 174.2319 639 M 4.2155 7.9638 120.0028 53.8208 32.0279 178.4563 *640 Y 5.3338 7.6776 134.1572 57.3172 35.9067 170.7807 641 D 4.8276 7.6700 118.8150 54.6444 41.7450 181.8844 642 Q 4.0900 7.9971 120.3660 59.6729 27.5978 180.7590 643 C 4.6582 8.1089 116.0848 62.1786 30.0484 176.4008 644 K 3.8826 8.0185 128.4694 60.7217 30.9463 182.4640 *645 H 4.4766 8.0490 117.9320 59.5482 27.7343 179.7520 646 M 4.4021 7.3669 117.5287 58.0027 32.1081 178.2587 647 L 4.1517 9.1591 123.2110 57.8504 42.1523 179.1532 *648 Y 4.1888 7.8275 122.4905 61.6745 36.8145 183.5687 649 V 3.8194 7.7668 120.1245 65.7564 31.7521 177.6924 650 S 4.2124 7.7254 112.1523 61.6290 62.1447 176.4737 651 S 4.1842 8.4654 119.4450 61.7706 62.8101 176.9967 652 E 3.9203 8.4566 122.3299 61.1277 29.6139 182.4195 653 L 4.1554 8.2509 120.6910 57.2978 41.0290 179.0466 654 H 3.3999 7.5415 118.1152 58.1587 29.7688 177.3290 655 R 3.8756 7.7369 116.9877 59.4424 29.3573 178.6381 656 L 4.0855 7.7283 120.1214 55.2327 42.6451 177.2503 657 Q 3.7520 7.2436 114.4907 55.2363 25.4261 179.2978 658 V 4.1208 7.7750 119.7549 63.1162 32.8577 176.2684 659 S 4.8057 9.2313 121.9511 58.0536 65.5493 174.8768 660 Y 3.9206 8.8760 123.5121 61.0388 38.4035 178.4123 661 E 3.8456 8.2094 119.1350 59.0331 29.6201 178.7708 662 E 3.9894 8.5502 118.9082 59.5693 29.2571 178.4476 663 Y 4.2348 8.5529 119.8807 60.9676 38.6126 178.6272 664 L 3.4133 7.3639 118.8954 57.7278 41.8088 179.0103 665 C 4.0371 7.5632 116.5836 63.4462 28.2017 176.0237 666 M 3.8776 8.1462 119.9809 58.4375 31.3479 179.0112 667 K 3.8108 7.7889 119.5491 59.7920 32.1938 179.0968 668 T 3.9887 7.7869 114.7199 66.4000 68.3759 176.3331 669 L 4.1332 7.6857 120.6791 57.6135 41.6261 179.0964 670 L 4.2816 7.3096 117.7390 56.0301 41.4699 179.0093 671 L 4.2341 7.4295 120.6349 57.7310 42.1837 177.8960 672 L 4.8535 7.5674 116.3328 54.7718 42.2105 177.4296 673 S 4.4630 7.7456 114.2150 59.5626 64.2293 173.3815 674 S 4.9796 7.7276 114.0840 57.2251 65.6342 172.6970 675 V 4.4523 8.3988 116.8827 59.4705 36.8683 172.1409 676 P 4.7622 0.0000 0.0000 62.4511 32.0756 178.0574 677 K 4.1528 8.9137 124.0491 60.2382 31.9815 179.4678 678 D 4.3345 8.1989 117.4832 54.1232 40.1670 180.4512 679 G 4.1540 8.3971 100.1606 46.5725 0.0000 173.0274 680 L 4.6282 8.1100 121.7483 53.4682 45.6011 176.9868 681 K 4.5897 8.1561 123.3735 52.9188 35.9405 173.0366 *683 Q 4.3584 8.6731 123.6172 56.6834 30.7594 177.5768 684 E 4.0320 7.8902 117.1704 60.8932 29.7329 182.3645 685 L 4.1645 7.8614 120.3655 57.9150 42.1723 178.5634 686 F 4.2423 8.3835 120.0102 61.9965 39.3432 176.9159 687 D 4.0664 8.6252 120.4383 57.4880 40.3494 179.5069 688 E 3.9470 7.8897 118.5005 61.1373 30.0340 182.9659 689 I 4.0292 8.3172 123.3968 63.6452 37.2675 178.2310 690 R 3.7725 8.3184 119.9979 60.1080 29.7444 178.0668 691 M 4.1550 7.9211 116.7930 58.2893 31.6287 178.2112 692 T 3.6563 7.8378 116.4944 67.0510 68.6336 176.0241 693 Y 4.0940 7.7843 117.6642 60.6702 38.0244 177.8912 694 I 3.9217 8.0120 123.5517 65.1795 37.2339 179.1741 695 K 3.9903 8.0818 124.3275 59.4406 31.2959 180.8280 696 E 4.1220 7.9574 118.7508 58.9235 29.7733 178.3395 697 L 4.1716 8.6990 121.1010 58.2369 42.1180 178.9190 698 G 3.5593 7.8195 105.0566 47.9244 0.0000 175.5223 699 K 3.8773 7.9800 120.1347 59.3069 32.2151 179.3545 700 A 4.0481 7.8706 120.7715 55.0618 17.9637 179.7305 701 I 3.9702 7.4212 117.4778 64.1131 37.3158 178.3547 702 V 3.6779 7.3315 121.0842 66.6441 31.5779 178.7300 703 K 4.0344 7.5715 121.4465 58.5613 31.6236 179.0941 704 R 4.2150 6.9359 117.9849 56.8484 29.9286 175.6403 705 E 3.6590 8.2769 114.1743 59.9965 30.1128 178.5203 706 G 3.6934 7.9891 111.6658 46.6617 0.0000 173.5417 707 N 4.5115 8.4167 115.8562 53.4266 40.7998 172.9135 708 S 4.6960 9.0496 129.5699 57.2576 70.0800 174.7550 709 S 4.7596 9.2955 126.4105 63.3486 63.4268 177.7312 710 Q 4.7390 7.9245 121.8177 58.4256 27.5295 181.8015 711 N 4.4224 8.1943 116.8514 56.8913 38.1856 176.5924 712 W 4.3804 7.9378 118.7484 58.3862 29.3002 178.8206 713 Q 4.3181 8.1465 118.2124 59.0900 28.2284 178.6884 714 R 3.9710 8.0838 119.1769 59.2133 29.8796 178.9124 715 F 4.2261 7.7171 120.6651 61.0131 39.0299 176.5497 716 Y 4.4633 7.2619 115.7062 59.8182 38.0641 177.4157 717 Q 4.1278 7.9757 118.9578 58.8977 28.8915 178.3952 718 L 3.9503 8.4614 120.4355 58.2539 41.2483 179.8288 719 T 3.5182 7.0901 109.0701 63.8014 68.6784 176.7434 720 K 4.1497 8.2714 123.5568 59.2746 31.9586 178.5023 721 L 4.0386 7.6912 119.6491 57.9642 41.8536 178.4471 722 L 4.0634 7.8525 119.1495 57.7195 40.9123 179.1678 723 D 4.6649 8.2481 119.1061 57.3840 40.8667 178.7470 724 S 4.3147 8.2557 115.1884 60.9572 62.7014 176.6304 725 M 4.0307 7.6422 121.3896 58.8215 31.9069 177.9915 726 H 4.3544 7.8247 119.2057 59.8771 28.4548 177.9976 727 E 4.0170 8.1444 119.3071 61.3705 29.6534 182.1088 728 V 3.7957 7.7583 113.1997 64.2197 31.6152 178.9806 729 V 3.3555 8.3374 120.7004 66.3629 31.0633 178.6080 730 E 4.0180 7.9663 117.7393 61.0712 29.5633 181.8701 731 N 4.5697 7.7137 117.3606 56.2543 38.5486 177.4628 732 L 4.0268 7.8262 120.0701 57.8178 41.6495 179.2595 733 L 3.7210 8.1732 121.6467 58.4049 41.5114 180.2515 734 N 4.4032 7.9933 118.5906 57.2241 37.7966 180.7698 735 Y 4.1741 8.5257 122.6378 60.7081 38.9194 177.5307 736 C 4.3333 9.1156 120.1688 63.0112 31.7016 175.5730 737 F 3.8752 8.1552 124.5165 61.6889 38.6701 177.3776 738 Q 4.0869 7.8437 119.8468 60.8577 28.0423 182.2239 739 T 4.3180 7.9261 116.9018 65.5878 68.3403 177.1707 740 F 3.2099 7.4229 121.8328 60.8638 39.5179 176.6906 741 L 4.3701 7.6077 114.6871 54.5564 41.9820 176.3281 742 D 4.3564 7.1305 118.3864 54.3963 40.2507 175.5211 743 K 4.3346 8.4402 125.1780 56.7492 32.8097 177.5882 744 T 4.5340 7.6384 119.5684 63.1903 70.3499 174.3272 745 M 4.5692 8.2021 121.7758 53.9170 34.2595 170.4183 *747 I 4.2154 8.4172 124.7487 59.0417 39.1159 175.1367 748 E 4.7931 8.0596 127.4391 53.2912 31.9952 175.5714 749 F 3.4859 7.8988 122.9960 56.9276 36.2911 174.0382 750 P 4.5049 0.0000 0.0000 62.0322 33.2986 176.4101 751 E 3.9101 8.8247 118.2063 59.9519 29.0727 178.3896 752 M 3.9412 7.9869 117.2170 58.9109 32.4100 178.1477 753 L 3.7271 7.8582 118.1280 57.3147 41.5489 179.2463 754 A 4.0788 7.8852 120.3267 55.6042 18.6614 178.8050 755 E 3.8904 8.5065 116.8140 60.0901 28.0667 179.5653 756 I 3.5701 7.6150 118.9867 65.0045 37.2733 178.5920 757 I 4.1794 7.6514 120.1643 64.2156 36.5445 178.4862 758 T 3.9127 7.6445 116.3064 66.5349 68.3507 175.3425 759 N 4.7817 7.2639 113.4498 53.6436 38.9446 176.2073 760 Q 4.2252 7.9579 123.9951 58.0692 29.1712 177.8058 761 I 3.5171 7.5867 119.6445 63.9553 37.5061 175.4735 762 P 4.4252 0.0000 0.0000 65.5277 31.3121 178.2180 763 K 4.1053 8.0265 116.0856 58.7173 32.7559 177.1578 764 Y 4.2697 7.5221 124.5988 56.8666 36.9875 175.5136 *768 N 4.7551 7.6918 119.6804 52.1393 41.2663 175.8444 769 I 4.3950 7.8530 120.3533 61.4487 39.5709 176.0197 770 K 4.4746 9.7082 133.5857 53.1043 34.2401 172.2926 771 K 4.3843 8.4526 125.9124 54.9797 32.6268 177.2241 772 L 4.0642 8.1926 126.6579 54.5602 41.5824 177.5573 773 L 4.4787 8.2667 124.1017 53.9628 43.0350 176.7111 774 F 4.6432 9.3583 118.4347 58.1946 40.5703 176.1836 775 H 4.6200 8.7357 121.8642 55.8593 28.9358 173.5391 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 525 L 8.14 4.35 0.00 1.59 1.26 0.92 0.62 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 0.00 526 P 0.00 4.21 0.00 2.16 2.00 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.65 0.00 527 Q 8.45 4.17 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 7.05 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 528 L 7.76 4.13 0.00 1.66 1.59 0.92 0.84 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 0.00 529 T 8.21 4.18 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 530 P 0.00 4.34 0.00 2.20 2.12 0.00 3.77 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 1.99 1.95 0.00 531 T 7.68 4.23 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 1.20 0.00 0.00 532 L 8.64 3.99 0.00 1.84 1.83 0.61 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 533 V 7.94 3.59 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 0.89 0.00 0.00 0.93 0.00 0.00 534 S 8.04 4.26 0.00 4.11 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 0.00 535 L 7.73 3.94 0.00 1.75 1.88 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 536 L 8.43 4.12 0.00 1.61 1.73 1.02 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 537 E 8.01 4.15 0.00 2.23 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 2.41 2.41 0.00 538 V 7.56 3.86 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 0.82 0.00 0.00 1.08 0.00 0.00 539 I 7.40 4.50 2.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.88 0.99 0.00 0.00 540 E 7.73 3.93 0.00 2.24 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 2.51 2.38 0.00 541 P 0.00 4.37 0.00 2.03 2.03 0.00 3.45 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.17 0.00 542 E 8.33 4.27 0.00 2.12 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 2.31 2.35 0.00 543 V 8.12 3.76 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 0.76 0.00 0.00 0.93 0.00 0.00 544 L 8.33 4.53 0.00 1.73 1.65 0.99 0.95 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 0.00 545 Y 8.36 4.56 0.00 2.88 2.91 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 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0.00 0.00 0.00 712 W 7.94 4.38 0.00 3.63 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 0.00 713 Q 8.15 4.32 0.00 2.34 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.92 0.00 0.00 0.00 0.00 0.00 2.60 2.78 0.00 714 R 8.08 3.97 0.00 2.02 1.98 0.00 3.13 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 715 F 7.72 4.23 0.00 2.96 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 0.00 716 Y 7.26 4.46 0.00 3.15 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 0.00 717 Q 7.98 4.13 0.00 2.35 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.66 0.00 718 L 8.46 3.95 0.00 1.47 1.63 0.94 0.70 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 0.00 719 T 7.09 3.52 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 720 K 8.27 4.15 0.00 2.08 2.01 0.00 1.57 0.00 0.00 1.32 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.50 7.81 721 L 7.69 4.04 0.00 1.67 1.86 0.96 1.03 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 0.00 722 L 7.85 4.06 0.00 1.92 1.81 0.57 0.75 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 0.00 723 D 8.25 4.66 0.00 3.02 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 0.00 724 S 8.26 4.31 0.00 4.06 3.94 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 0.00 0.00 0.00 0.00 725 M 7.64 4.03 0.00 2.21 2.32 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 2.51 2.93 0.00 726 H 7.82 4.35 0.00 3.44 3.50 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 727 E 8.14 4.02 0.00 1.97 1.95 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 2.31 1.97 0.00 728 V 7.76 3.80 2.03 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 0.72 0.00 0.00 0.96 0.00 0.00 729 V 8.34 3.36 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 0.22 0.00 0.00 -0.11 0.00 0.00 730 E 7.97 4.02 0.00 2.05 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 0.00 2.24 2.22 0.00 731 N 7.71 4.57 0.00 2.88 2.92 0.00 0.00 7.09 6.40 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 0.00 732 L 7.83 4.03 0.00 1.56 1.62 0.83 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 0.00 733 L 8.17 3.72 0.00 1.79 1.45 0.62 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 734 N 7.99 4.40 0.00 2.73 2.81 0.00 0.00 6.50 8.32 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 0.00 735 Y 8.53 4.17 0.00 3.17 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 0.00 736 C 9.12 4.33 0.00 3.27 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 0.00 737 F 8.16 3.88 0.00 3.51 3.08 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 0.00 738 Q 7.84 4.09 0.00 2.22 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 739 T 7.93 4.32 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 740 F 7.42 3.21 0.00 2.13 2.37 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 0.00 741 L 7.61 4.37 0.00 1.71 1.73 1.18 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 742 D 7.13 4.36 0.00 2.88 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 0.00 743 K 8.44 4.33 0.00 1.76 1.78 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.35 7.81 744 T 7.64 4.53 4.35 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 1.22 0.00 0.00 745 M 8.20 4.57 0.00 1.96 1.79 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.07 0.00 *747 I 8.42 4.22 1.89 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.35 0.95 0.00 0.00 748 E 8.06 4.79 0.00 1.82 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 1.96 2.14 0.00 749 F 7.90 3.49 0.00 3.17 3.17 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 0.00 750 P 0.00 4.50 0.00 2.26 2.20 0.00 3.63 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 751 E 8.82 3.91 0.00 2.07 2.03 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 2.40 2.42 0.00 752 M 7.99 3.94 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.65 0.00 753 L 7.86 3.73 0.00 1.85 1.82 0.85 0.58 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 0.00 754 A 7.89 4.08 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 755 E 8.51 3.89 0.00 2.10 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 2.34 2.53 0.00 756 I 7.62 3.57 1.38 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.64 0.22 0.00 0.00 757 I 7.65 4.18 1.41 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.64 -1.37 0.00 0.00 758 T 7.64 3.91 4.31 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 1.25 0.00 0.00 759 N 7.26 4.78 0.00 2.67 2.91 0.00 0.00 6.99 7.57 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 0.00 760 Q 7.96 4.23 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.32 6.81 0.00 0.00 0.00 0.00 0.00 1.67 2.14 0.00 761 I 7.59 3.52 1.93 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 1.46 0.89 0.95 0.00 0.00 762 P 0.00 4.43 0.00 2.06 2.13 0.00 3.59 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 763 K 8.03 4.11 0.00 1.91 1.92 0.00 2.02 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.45 7.81 764 Y 7.52 4.27 0.00 2.97 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 *768 N 7.69 4.76 0.00 2.48 2.84 0.00 0.00 6.33 7.50 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 0.00 769 I 7.85 4.39 1.95 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 1.33 1.20 0.90 0.00 0.00 770 K 9.71 4.47 0.00 1.31 1.66 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.25 1.25 7.81 771 K 8.45 4.38 0.00 1.57 1.60 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.52 7.81 772 L 8.19 4.06 0.00 1.53 1.51 1.15 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 773 L 8.27 4.48 0.00 1.57 1.58 0.92 1.03 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 0.00 774 F 9.36 4.64 0.00 3.23 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 0.00 775 H 8.74 4.62 0.00 3.23 3.19 0.00 5.88 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 * Residues marked with a * may have inaccurate shift predictions.