NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 552 I 4.1231 8.0244 121.4494 61.2612 38.5773 174.5040 553 S 4.5088 7.8464 114.7424 57.9624 64.5347 175.6706 554 S 4.3949 9.5807 123.4446 59.8403 64.1881 174.0629 555 E 4.1600 7.9784 119.2827 56.4783 29.8086 176.5093 556 T 4.1665 8.2453 117.2175 63.0217 69.2802 174.7719 557 G 4.0927 7.5277 110.6185 46.6060 0.0000 171.2325 558 E 5.0382 8.3374 117.3752 54.7364 32.8756 175.5056 559 M 4.8727 9.2020 120.7313 54.9112 34.2060 175.5940 560 G 4.2838 8.6422 106.9449 44.8836 0.0000 171.6100 561 I 4.5116 8.1956 122.9591 59.8933 38.9832 174.4997 562 L 5.2462 8.6464 129.6115 53.0115 44.6920 174.8152 563 W 5.5555 9.6204 126.3894 55.0385 32.1747 174.0007 564 E 5.3190 9.7423 126.0992 54.4827 31.8249 174.1828 565 F 4.5978 8.8103 128.8529 56.5830 40.9345 174.4117 566 D 4.3628 7.4289 124.9594 51.6541 42.7570 174.4645 567 P 3.9801 0.0000 0.0000 65.3186 31.6946 179.0636 568 I 3.6771 7.6026 117.4625 63.0634 37.9242 176.2937 569 I 4.1109 7.5105 110.7724 59.5751 38.0623 174.4585 570 N 4.0753 7.4362 117.9706 54.7694 38.0251 173.3607 571 K 5.0497 7.0962 111.9115 54.2645 37.2472 176.0639 572 W 5.3949 9.3417 122.0497 56.0917 31.3467 175.4136 573 I 4.7929 9.4413 124.5911 59.6160 39.3190 174.4308 574 R 4.5311 8.6226 127.0921 54.6500 31.6596 174.5577 575 L 5.0339 8.8479 126.4245 52.9651 46.4840 175.0242 576 S 5.2469 8.6660 113.2508 57.5197 66.9698 172.6796 577 M 5.0661 8.5473 116.1169 54.3235 34.9249 173.1755 578 K 5.2451 8.7513 121.1522 54.6754 35.1287 174.7767 579 L 5.2610 8.8641 125.6390 54.2182 44.8243 174.5981 580 K 4.8424 9.0161 121.3464 54.6188 34.9475 174.9366 581 V 4.6949 8.2478 126.8625 59.5464 33.3767 175.6233 582 E 4.1899 8.7905 123.8831 56.7943 29.5036 177.7317 583 R 4.1696 8.8108 121.2863 57.8755 30.7434 177.0736 584 K 4.7433 7.8269 116.3107 53.4274 34.4986 174.2300 585 P 3.7932 0.0000 0.0000 62.5521 31.7867 175.7776 586 F 4.9028 8.0804 113.2104 56.9748 39.8754 174.6940 587 A 4.5955 6.4516 119.9965 50.8274 22.8313 174.2489 588 E 4.8004 7.9986 114.6227 56.0830 31.5624 175.6284 589 G 4.0596 8.5057 109.3112 44.3481 0.0000 172.6132 590 A 4.0660 8.8759 120.9758 54.9038 18.7469 178.6563 591 L 4.6692 7.5829 111.4940 55.8829 43.9541 177.2585 592 R 5.1340 7.7696 115.2471 54.3971 35.1273 174.1105 593 E 4.8173 8.8230 119.3353 54.5228 32.7428 175.0339 594 A 5.1424 8.0577 124.1653 50.2685 22.0413 174.7494 595 Y 5.0590 9.0649 119.7011 56.1154 41.8749 175.0703 596 H 4.6766 9.1106 120.5812 56.4535 30.1759 174.5524 597 T 5.1010 8.5489 118.3185 61.7276 73.3666 173.1286 598 V 4.9785 8.2988 122.7435 59.9546 34.8411 174.7718 599 S 4.8278 9.1895 118.5044 57.8462 63.7233 173.9881 600 L 4.4570 8.7796 125.8727 54.9442 42.6623 176.4244 601 G 4.0966 8.1581 107.0262 44.2048 0.0000 173.5064 602 V 4.7241 8.1055 119.8683 61.1076 34.2172 175.0222 603 G 4.2514 8.8571 113.2908 45.4147 0.0000 171.6303 604 T 4.7301 8.4872 110.4268 60.5834 70.6239 173.9812 605 D 4.8528 8.3309 118.9786 53.4103 39.8224 177.7979 606 E 3.8360 8.1166 122.8712 60.2185 29.3650 177.9317 607 N 4.4107 7.9225 111.7837 54.0759 38.8659 175.0684 608 Y 4.6136 7.3696 116.5392 54.5277 38.2090 172.3812 609 P 4.2809 0.0000 0.0000 62.4807 31.9513 176.2942 610 L 3.9347 8.6782 126.1701 57.0361 42.5697 177.8684 611 G 3.6960 7.9092 102.9622 47.4748 0.0000 172.3743 612 T 4.5729 8.2873 114.6437 65.0511 73.6178 175.8555 613 T 4.4733 7.7135 115.2954 64.5772 68.5450 175.9313 614 T 3.5114 7.6106 115.4548 64.6686 66.2010 171.2940 615 K 4.3629 7.8275 119.5958 57.9973 34.8350 177.7499 616 L 4.4905 7.5686 118.2311 52.3531 43.2733 175.7707 617 F 4.0680 8.1776 122.3881 56.6200 40.1928 173.7927 618 P 2.9700 0.0000 0.0000 60.4636 31.9000 174.6534 619 P 4.3032 0.0000 0.0000 62.3143 31.9963 176.9961 620 I 3.6524 8.4349 119.6993 64.4183 37.8542 177.7866 621 E 4.0480 8.1408 118.0818 58.7605 29.6404 177.1984 622 M 4.5999 8.3526 118.2529 54.7639 32.2089 174.9192 623 I 5.0557 7.2954 120.3811 59.2104 39.5744 175.5094 624 S 4.3099 8.9500 121.4360 57.4384 62.6154 172.5592 625 P 4.4361 0.0000 0.0000 64.5368 31.5671 176.2562 626 I 4.5799 7.3096 119.9185 59.6124 39.5312 175.2908 627 S 4.7204 8.3533 116.2768 57.7454 63.9376 175.7694 628 K 3.9019 8.2993 123.6316 58.7741 32.1926 176.3765 629 N 5.0104 7.1102 114.0671 51.2968 40.2654 173.6520 630 N 4.8357 8.1245 117.6632 50.9138 39.8785 175.0773 631 E 4.1962 9.5893 120.2108 59.3838 29.4215 179.3362 632 A 3.7336 8.4640 120.6720 55.6856 18.1523 179.5994 633 M 3.9806 8.5841 115.8639 57.5410 31.7114 177.9180 634 T 4.3860 7.6494 108.7865 63.4745 70.2383 176.6340 635 Q 4.1187 8.1766 119.4711 57.5971 28.9211 176.9771 636 L 4.4418 7.6658 117.0359 53.7340 42.4498 176.8040 637 K 3.9952 7.6395 117.8500 56.4421 32.9697 175.4364 638 N 4.1654 8.4134 117.4483 55.4501 38.9189 174.5678 639 G 4.0840 8.7396 114.6965 45.4339 0.0000 173.8969 640 T 4.0690 7.9898 117.2508 63.7832 69.6509 173.5079 641 K 5.0725 8.7143 125.5732 55.2755 33.5975 175.6431 642 F 5.1302 8.8427 119.8865 55.6132 42.2594 172.9233 643 V 4.9695 9.5148 118.0672 61.2211 34.1820 174.2171 644 L 5.3297 9.0370 129.5321 53.2714 44.9587 174.9579 645 K 5.7206 9.3314 124.9618 53.6969 35.6873 175.0758 646 L 5.1823 8.4507 123.1999 52.8583 45.4054 175.5363 647 Y 4.6395 8.7111 120.5490 58.2242 38.5507 176.1131 648 K 4.4972 9.0407 123.3925 54.7734 34.2194 176.6995 649 K 4.9681 7.9021 128.4364 57.1435 35.9102 174.4678 650 E 4.3613 8.5120 125.2495 56.5492 29.9249 176.4699 *656 S 4.2510 7.7995 112.8838 57.7233 64.0960 174.3870 657 R 3.9549 8.5396 119.6066 59.8186 29.6088 177.6010 658 E 3.4548 7.4614 119.3087 59.2872 29.3926 178.6481 659 L 3.8626 7.6593 119.8869 58.3201 41.6007 178.5850 660 Y 4.0588 7.7228 115.4632 61.1834 37.7884 178.6342 661 F 4.2071 8.3160 118.2234 60.5136 39.0403 177.3701 662 E 4.0495 8.5037 118.3944 59.5636 29.3205 179.1056 663 D 4.4694 8.2236 118.9538 57.3855 40.9199 179.0819 664 V 3.7279 7.7668 117.9618 65.7477 31.6448 177.9763 665 K 3.7058 8.3009 119.5214 59.5827 31.9470 178.3639 666 M 4.2412 8.2665 118.5048 58.8244 32.2122 177.9455 667 Q 3.9070 8.0900 119.4699 59.4753 29.3001 178.2444 668 M 4.0741 8.0793 119.6643 58.3388 32.0586 178.7601 669 V 3.7136 7.9694 118.4296 66.4349 31.6621 177.9480 670 C 4.2487 8.0220 116.3732 62.5250 27.9107 176.1545 671 R 4.1068 7.9657 119.9097 59.4350 29.6807 178.6900 672 D 4.3958 8.0791 118.2678 57.3657 40.8667 179.0173 673 W 4.4662 8.4148 119.3695 59.5540 28.9387 178.9286 674 G 3.8605 8.5119 106.0066 48.0557 0.0000 175.4949 675 N 4.4265 8.2540 119.0426 55.8335 38.3215 177.4044 676 K 4.0177 7.9000 119.5658 59.4238 32.6802 178.1981 677 F 3.6532 8.6482 120.8774 61.5085 39.3749 176.9643 678 N 4.4052 8.6705 115.8467 56.2642 38.0280 177.3757 679 Q 4.0929 7.8489 118.7380 58.6025 28.8101 178.1271 680 K 4.1487 7.6458 116.4607 55.4165 33.3165 177.1354 681 K 3.6737 7.5997 118.0965 56.8551 29.6600 172.1660 682 P 4.5028 0.0000 0.0000 61.0168 32.8697 175.5906 683 P 4.3558 0.0000 0.0000 64.7999 31.2484 176.8511 684 K 4.5719 7.7877 117.2659 54.1722 34.9072 176.0514 685 K 4.5584 8.6186 123.3957 56.0098 33.0150 175.8453 686 I 4.7029 8.7533 114.5819 59.4064 40.8227 174.4345 687 E 4.6698 7.9750 121.7863 55.1027 33.2644 173.6279 688 F 5.1039 8.8052 125.2790 55.8107 40.6501 175.8578 689 L 4.2612 8.5785 123.0106 54.8177 42.1520 177.3074 690 M 3.9556 8.4897 121.0790 55.9992 32.4912 175.5980 691 S 4.8532 7.2690 113.5488 57.0184 66.0076 172.8969 692 W 5.5895 9.1023 122.7011 55.2863 34.0182 174.0366 693 V 4.7460 8.8372 122.1782 61.7290 33.0415 174.8651 694 V 4.9783 8.4243 126.5768 61.2283 34.9258 173.8565 695 E 4.4384 9.0529 127.9910 55.4691 30.9140 176.3464 696 L 4.6638 8.7133 127.9199 53.3170 39.7026 177.8349 697 I 3.7819 7.7902 113.0100 63.2401 38.0464 178.0837 698 D 4.5317 7.9620 119.1328 55.4307 41.1430 176.2874 699 R 4.5220 7.4308 118.3810 54.3050 31.6078 176.5326 700 S 4.2127 8.3864 117.0709 58.2495 63.8348 174.2539 701 P 4.5804 0.0000 0.0000 62.4278 29.2248 175.8829 702 S 3.4876 7.5751 114.3902 57.6460 62.8674 171.5398 703 S 4.2699 8.1226 115.5608 59.9544 60.9288 172.3730 704 N 4.5639 8.7079 123.9949 52.2091 39.0197 175.4808 705 G 3.9748 8.3088 110.2822 45.7364 0.0000 173.8263 706 Q 4.4164 8.5245 121.3377 52.9501 29.1655 173.9814 707 P 4.4465 0.0000 0.0000 62.5877 32.0687 176.0584 708 I 3.9734 8.3228 122.8875 61.3491 38.0857 175.1107 709 L 5.1291 7.9967 126.1214 53.2554 45.2060 174.5661 710 C 4.3022 7.4451 114.0097 57.8205 33.3908 172.6465 711 S 5.5385 8.6194 113.2673 56.6180 66.2593 172.9622 712 I 5.5317 8.5893 113.5019 59.8596 41.5541 173.5303 713 E 5.4572 9.3128 119.0368 55.1315 33.0266 173.3021 714 P 4.9114 0.0000 0.0000 62.5174 32.4720 175.8484 715 L 4.3642 8.5396 123.6298 54.5405 42.7321 176.0784 716 L 4.4703 8.6131 126.2494 53.6693 42.7600 175.9686 717 V 4.2293 8.4788 123.1899 61.3045 33.1924 173.7330 718 G 3.6550 8.7285 112.6721 43.6447 0.0000 171.9210 719 E 4.1440 8.6046 121.8513 56.0091 29.8725 176.9424 720 F 4.5976 8.8960 130.8372 57.7484 40.2711 174.6730 721 K 4.7968 9.0898 125.8896 54.4117 35.8705 175.1153 722 K 4.5591 8.7933 125.3616 55.9511 32.7574 175.6346 723 N 4.9177 9.3788 125.0205 54.4453 40.7412 174.5587 724 N 5.6106 7.8872 114.0279 51.4233 41.5680 174.3370 725 S 5.2311 8.3783 115.1100 56.9979 65.3855 173.6478 726 N 4.9373 8.6278 116.5541 53.2377 36.9745 175.0217 727 Y 4.8418 8.0753 118.4161 57.9568 39.2783 175.7608 728 G 3.8719 8.7690 106.5558 44.4497 0.0000 174.3603 729 A 4.1044 7.9651 123.7345 51.5860 19.1624 176.3266 730 V 4.4491 8.2870 122.7196 61.2561 32.7174 175.1377 731 L 4.6859 8.8120 126.8800 54.7187 43.1796 176.1115 732 T 4.7335 7.4142 107.2893 59.9449 71.7554 173.2552 733 N 4.6611 8.5819 117.6283 53.1576 37.8935 175.7670 734 R 4.1453 7.2704 117.4794 56.6935 31.0708 177.5705 735 S 4.3791 8.7418 117.5646 61.8737 63.1377 176.9358 736 T 4.0068 7.9763 117.8817 66.4131 68.2849 174.5572 737 P 4.1303 0.0000 0.0000 65.7783 31.4224 178.7622 738 Q 4.1917 8.1477 116.1448 58.9022 28.6325 178.4402 739 A 4.2546 8.2843 122.0370 55.0280 18.4205 179.4473 740 F 3.8685 8.5190 119.5004 61.3450 39.2375 177.4396 741 S 3.7730 8.0449 114.6537 61.7773 62.6765 175.9553 742 H 4.1336 8.2305 120.7046 59.4644 29.5889 176.6460 743 F 4.1346 8.5636 122.7696 61.7767 39.0094 177.2431 744 T 2.6672 7.4211 109.1292 64.3221 68.2832 175.9939 745 Y 4.3805 7.2598 123.7636 59.7990 38.8657 177.3823 746 E 3.6643 8.0569 120.1438 59.3278 29.6888 178.6823 747 L 4.0368 7.4333 116.7194 56.6755 42.1090 177.8610 748 S 4.6780 7.7501 113.2216 57.3735 63.1892 173.9877 749 N 4.2741 8.5059 116.6352 54.6667 36.3235 174.6091 750 K 3.1225 7.4470 112.5710 57.4224 29.9856 177.0881 751 Q 4.3327 7.6539 116.9751 56.7742 29.3400 175.1554 752 M 4.9069 7.4767 114.1879 55.6883 35.2537 173.4944 753 I 4.3377 7.6268 118.4592 59.5129 41.9284 173.2988 754 V 4.3446 7.7168 129.1509 61.8710 32.5019 174.9963 755 V 4.4066 7.9735 122.8530 60.4576 35.8210 174.2322 756 D 4.8761 8.4779 114.2466 55.1996 39.3592 175.0895 757 I 4.0577 8.3121 120.9585 60.6510 37.4712 175.7547 758 Q 4.9159 8.1124 122.5627 53.9832 32.2377 174.7726 759 G 3.2161 6.9806 106.5742 45.7393 0.0000 171.8273 760 V 4.3759 7.4240 122.9494 62.1288 34.4225 176.2198 761 D 4.3534 8.2116 127.2679 55.9917 40.0454 174.3717 762 D 4.2679 8.3177 124.9213 53.9915 41.8417 173.9239 763 L 4.5695 7.5867 121.5179 53.4051 43.8743 174.6660 764 Y 5.2901 8.1276 123.8091 56.8269 41.4815 174.5136 765 T 4.6523 8.7319 114.9164 60.7323 71.3986 172.4045 766 A 3.8461 8.3008 123.0358 52.5341 16.5151 175.4924 767 P 4.9931 0.0000 0.0000 63.1866 32.8495 176.0945 768 Q 4.6963 8.8204 118.1467 54.1343 32.5257 174.6339 769 I 4.5064 8.1133 122.0950 59.8008 40.4400 174.0527 770 H 5.3821 8.4344 122.7492 54.3457 31.4659 173.7925 771 T 4.8851 8.5173 110.9715 59.2110 71.8974 173.0866 772 P 4.3656 0.0000 0.0000 65.6586 31.4847 177.5036 773 D 4.4466 8.1205 115.1933 53.6222 39.9016 177.3900 774 G 3.9730 7.7090 106.6328 45.4858 0.0000 173.7205 775 K 4.2460 8.2471 118.9451 56.1546 33.3747 177.4260 776 G 3.5847 8.3456 108.9321 45.4860 0.0000 172.6261 777 F 3.8543 8.5125 113.6435 58.3828 36.5675 177.4679 778 G 3.9604 7.8641 111.0661 45.2163 0.0000 174.7840 779 L 3.9338 8.5675 117.0349 57.4800 41.6334 178.3399 780 G 3.9401 8.0503 104.5856 44.4906 0.0000 172.9667 781 N 4.7939 7.8099 118.3433 52.6601 38.2709 174.2964 782 L 4.6762 8.9452 125.5075 53.5327 43.3969 177.8659 783 G 4.3203 8.3346 109.8988 46.1923 0.0000 176.7317 784 K 3.8897 8.8151 118.8992 59.4700 31.9063 178.4127 785 A 4.0897 8.1128 120.5735 55.1281 18.4182 179.8127 786 G 3.2915 7.8908 103.9269 47.8281 0.0000 175.9919 787 I 3.5770 7.5640 122.4209 64.2368 37.1254 178.3429 788 N 4.3178 8.3084 117.3570 56.0470 38.4568 177.5667 789 K 3.6931 7.8700 119.9691 59.3696 31.8788 178.9958 790 F 4.0599 7.6658 118.9397 61.4140 39.4261 176.8947 791 I 3.7510 7.6583 118.9426 64.6044 36.6267 178.4397 792 T 3.8104 7.6194 116.0003 66.1014 68.3807 175.1439 793 T 4.1994 6.8801 106.2937 61.3224 69.4839 173.9227 794 H 3.9820 7.4093 123.7486 55.5349 30.0760 174.0261 795 K 4.3721 7.9523 127.8047 54.2193 33.8658 175.3503 796 C 4.3443 8.5917 124.3927 59.8532 28.9644 172.5417 797 N 5.1761 8.3180 119.2742 50.5510 40.1028 174.5864 798 A 4.0744 8.4864 118.1842 55.3026 18.2143 180.0202 799 V 3.6232 8.2122 117.2261 66.1967 31.6277 177.7525 800 C 4.1090 8.5651 115.8818 63.0004 27.9050 175.9904 801 A 3.9892 8.0334 121.9635 55.2239 17.8315 179.3582 802 L 3.8931 7.8016 117.4002 57.9509 42.1407 178.2346 803 L 4.3491 7.8010 116.0941 53.6039 42.0376 175.8050 804 D 4.4306 8.2000 117.7197 55.0932 40.1387 173.7720 805 L 4.2522 7.8724 116.0758 53.9358 42.3965 176.4389 806 D 4.6614 9.2922 121.9809 53.5619 41.7407 177.3397 807 V 3.7634 8.4463 125.7259 63.6272 31.8777 176.0878 808 K 4.3333 8.3900 120.8508 54.9776 31.7408 176.6402 809 L 4.3353 8.4482 123.2106 54.9945 41.6797 177.1875 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 552 I 8.02 4.12 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.06 0.91 0.00 0.00 553 S 7.85 4.51 0.00 3.92 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 0.00 554 S 9.58 4.39 0.00 3.90 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 0.00 555 E 7.98 4.16 0.00 1.96 1.90 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 2.32 2.35 0.00 556 T 8.25 4.17 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 557 G 7.53 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 0.00 0.00 0.00 558 E 8.34 5.04 0.00 2.00 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 2.31 2.23 0.00 559 M 9.20 4.87 0.00 1.87 2.07 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.67 0.00 560 G 8.64 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 0.00 0.00 0.00 0.00 561 I 8.20 4.51 1.92 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.14 0.66 0.00 0.00 562 L 8.65 5.25 0.00 1.63 1.39 0.79 0.39 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 0.00 563 W 9.62 5.56 0.00 3.38 3.50 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 0.00 564 E 9.74 5.32 0.00 2.59 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 0.00 2.31 2.31 0.00 565 F 8.81 4.60 0.00 1.51 2.45 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 0.00 566 D 7.43 4.36 0.00 2.55 2.22 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 0.00 567 P 0.00 3.98 0.00 2.21 2.13 0.00 3.45 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 568 I 7.60 3.68 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.69 0.91 0.00 0.00 569 I 7.51 4.11 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.72 0.86 0.00 0.00 570 N 7.44 4.08 0.00 2.83 2.90 0.00 0.00 6.88 6.77 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 0.00 571 K 7.10 5.05 0.00 1.71 1.70 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.54 7.81 572 W 9.34 5.39 0.00 3.64 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.44 4.79 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.27 0.97 0.00 0.00 574 R 8.62 4.53 0.00 1.26 1.55 0.00 2.36 0.00 0.00 3.06 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.50 0.00 575 L 8.85 5.03 0.00 1.45 1.62 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 576 S 8.67 5.25 0.00 3.89 3.93 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 0.00 577 M 8.55 5.07 0.00 1.95 2.15 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 578 K 8.75 5.25 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 587 A 6.45 4.60 0.65 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 0.00 0.00 588 E 8.00 4.80 0.00 1.81 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 2.02 2.18 0.00 589 G 8.51 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 0.00 0.00 0.00 590 A 8.88 4.07 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 0.00 591 L 7.58 4.67 0.00 1.74 1.99 1.00 0.85 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 0.00 592 R 7.77 5.13 0.00 1.57 1.62 0.00 2.76 0.00 0.00 2.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.19 0.00 593 E 8.82 4.82 0.00 1.97 1.53 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 2.08 2.18 0.00 594 A 8.06 5.14 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 612 T 8.29 4.57 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 613 T 7.71 4.47 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 1.21 0.00 0.00 614 T 7.61 3.51 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 615 K 7.83 4.36 0.00 1.81 1.86 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.42 7.81 616 L 7.57 4.49 0.00 1.63 1.59 0.94 0.79 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 0.00 617 F 8.18 4.07 0.00 2.78 2.55 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 0.00 618 P 0.00 2.97 0.00 1.54 0.85 0.00 2.59 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.44 0.00 619 P 0.00 4.30 0.00 2.32 2.10 0.00 3.00 0.00 0.00 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0.00 0.00 740 F 8.52 3.87 0.00 2.30 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 741 S 8.04 3.77 0.00 4.15 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 0.00 742 H 8.23 4.13 0.00 3.24 3.55 0.00 5.62 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 743 F 8.56 4.13 0.00 3.42 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 0.00 744 T 7.42 2.67 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 0.15 0.00 0.00 745 Y 7.26 4.38 0.00 2.68 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 0.00 746 E 8.06 3.66 0.00 2.08 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 2.21 2.28 0.00 747 L 7.43 4.04 0.00 1.31 1.68 0.35 0.64 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 0.00 748 S 7.75 4.68 0.00 4.05 4.11 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 0.00 749 N 8.51 4.27 0.00 2.86 2.86 0.00 0.00 6.94 7.62 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 0.00 750 K 7.45 3.12 0.00 1.70 1.67 0.00 1.50 0.00 0.00 1.59 0.00 0.00 3.18 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.30 0.57 7.81 751 Q 7.65 4.33 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.73 0.00 0.00 0.00 0.00 0.00 2.62 2.44 0.00 752 M 7.48 4.91 0.00 1.97 1.91 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.26 0.00 753 I 7.63 4.34 1.68 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 0.68 0.88 0.67 0.00 0.00 754 V 7.72 4.34 1.85 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 0.87 0.00 0.00 0.54 0.00 0.00 755 V 7.97 4.41 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 0.49 0.00 0.00 0.85 0.00 0.00 756 D 8.48 4.88 0.00 2.91 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 0.00 757 I 8.31 4.06 1.68 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.73 -0.03 0.00 0.00 758 Q 8.11 4.92 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.97 0.00 0.00 0.00 0.00 0.00 2.58 2.60 0.00 759 G 6.98 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 0.00 0.00 0.00 760 V 7.42 4.38 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.96 0.00 0.00 761 D 8.21 4.35 0.00 2.68 1.57 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 0.00 762 D 8.32 4.27 0.00 2.35 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 0.00 763 L 7.59 4.57 0.00 1.46 1.37 0.85 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 764 Y 8.13 5.29 0.00 1.60 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 765 T 8.73 4.65 4.40 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 1.54 0.00 0.00 766 A 8.30 3.85 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 767 P 0.00 4.99 0.00 2.03 2.27 0.00 3.53 0.00 0.00 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.64 0.00 768 Q 8.82 4.70 0.00 1.92 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 769 I 8.11 4.51 1.17 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.72 0.20 0.00 0.00 770 H 8.43 5.38 0.00 3.06 3.27 0.00 5.57 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 771 T 8.52 4.89 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 772 P 0.00 4.37 0.00 2.09 2.19 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 773 D 8.12 4.45 0.00 2.78 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 774 G 7.71 3.97 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 0.00 0.00 0.00 775 K 8.25 4.25 0.00 1.76 1.71 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.55 7.81 776 G 8.35 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 777 F 8.51 3.85 0.00 3.24 3.06 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 0.00 778 G 7.86 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 0.00 779 L 8.57 3.93 0.00 1.62 1.69 0.53 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 780 G 8.05 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 0.00 0.00 0.00 781 N 7.81 4.79 0.00 2.80 2.84 0.00 0.00 7.03 8.79 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 0.00 782 L 8.95 4.68 0.00 1.71 1.64 0.82 0.90 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 0.00 783 G 8.33 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 0.00 0.00 0.00 0.00 784 K 8.82 3.89 0.00 1.82 1.89 0.00 1.69 0.00 0.00 1.84 0.00 0.00 3.11 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.56 1.71 7.81 785 A 8.11 4.09 1.48 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 0.00 0.00 786 G 7.89 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 787 I 7.56 3.58 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.11 0.71 0.00 0.00 788 N 8.31 4.32 0.00 2.66 2.80 0.00 0.00 7.08 7.25 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 0.00 789 K 7.87 3.69 0.00 1.64 1.55 0.00 1.26 0.00 0.00 1.27 0.00 0.00 2.60 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.08 0.21 7.81 790 F 7.67 4.06 0.00 2.94 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 0.00 791 I 7.66 3.75 1.93 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.54 0.88 0.00 0.00 792 T 7.62 3.81 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 1.13 0.00 0.00 793 T 6.88 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 1.15 0.00 0.00 794 H 7.41 3.98 0.00 2.13 2.93 0.00 5.89 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 795 K 7.95 4.37 0.00 1.58 1.54 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.25 1.41 7.81 796 C 8.59 4.34 0.00 3.04 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 0.00 797 N 8.32 5.18 0.00 2.93 2.95 0.00 0.00 6.04 7.72 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 0.00 798 A 8.49 4.07 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 0.00 799 V 8.21 3.62 2.34 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 1.18 0.00 0.00 1.01 0.00 0.00 800 C 8.57 4.11 0.00 3.28 3.10 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 0.00 801 A 8.03 3.99 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 0.00 802 L 7.80 3.89 0.00 1.83 1.83 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 803 L 7.80 4.35 0.00 1.89 1.81 0.85 0.81 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 0.00 804 D 8.20 4.43 0.00 2.79 2.75 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 0.00 805 L 7.87 4.25 0.00 1.67 1.38 0.98 0.96 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 0.00 806 D 9.29 4.66 0.00 2.61 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 0.00 807 V 8.45 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 0.81 0.00 0.00 0.96 0.00 0.00 808 K 8.39 4.33 0.00 1.79 1.85 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.56 7.81 809 L 8.45 4.34 0.00 1.68 1.73 0.87 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.