NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 515 D 4.5850 8.2076 120.1929 53.3573 42.3467 175.3222 516 P 4.0636 0.0000 0.0000 64.7089 30.9831 176.8495 517 D 4.4227 8.3709 119.6747 55.1043 39.6202 179.5592 518 K 3.9112 7.8343 121.1103 59.5135 32.3380 178.6158 519 R 3.8982 7.8646 118.5704 59.3059 29.9589 178.5329 520 R 3.9158 7.9602 117.9792 59.3954 30.0557 179.2401 521 K 4.0358 7.9121 117.7744 59.4852 32.0145 179.5567 522 T 3.8061 7.9957 116.0683 66.6654 68.3965 176.4376 523 L 3.9396 8.2159 121.1235 57.8001 41.6251 179.7040 524 V 3.5695 7.7226 117.9481 66.3006 31.4678 178.0258 525 I 3.7214 7.9257 119.4224 64.6054 36.9004 178.5088 526 I 3.7866 7.8621 120.5676 64.1816 36.8769 178.3943 527 E 3.9609 8.2734 119.5281 59.5352 29.2758 179.4724 528 K 4.0117 8.2238 118.4956 59.8583 32.0680 179.6294 529 T 3.9585 8.0379 116.0365 66.7184 68.5617 176.3914 530 Y 4.0234 8.5924 121.8573 60.4902 38.5714 178.2164 531 S 4.0984 8.3165 114.3899 61.3400 62.4832 176.0637 532 L 3.9443 7.6469 121.5564 57.4558 41.2178 179.3497 533 L 3.6766 7.7729 120.3372 58.1703 41.8888 179.1579 534 L 3.8676 7.1736 116.5120 57.1769 41.7015 178.7856 535 D 4.4133 7.5778 118.6496 57.1146 41.3479 178.4317 536 V 3.5016 7.7815 119.3759 65.8684 31.5740 177.3474 537 E 4.3131 8.0578 117.2663 57.9296 29.3948 177.3594 538 D 4.6649 7.8608 117.7978 55.0393 41.7296 177.0732 539 Y 4.1897 7.8439 120.0494 61.2010 38.7179 177.6328 540 E 3.6469 8.3122 119.0882 59.5216 29.4442 179.2533 541 R 3.9967 7.7793 118.4769 59.3504 30.2731 178.7399 542 R 3.9335 7.7508 117.3803 58.8747 29.6990 178.5072 543 Y 3.6802 7.0707 117.6239 60.6717 38.9122 177.5987 544 L 4.2232 7.8308 118.0315 57.7259 41.9761 179.0491 545 L 4.1552 7.5807 117.9517 57.1853 41.8233 177.9742 546 S 4.5843 7.5014 113.5788 56.9072 67.6267 173.5348 547 L 4.5957 7.5452 117.8215 54.8985 39.6404 174.8991 548 E 4.0888 8.1304 127.9998 57.9124 28.4695 177.3423 549 E 4.0168 8.0403 114.6043 59.3860 29.8924 178.6798 550 E 4.0737 8.0858 118.6473 58.4734 28.2933 178.9199 551 R 3.6097 7.3258 117.6660 59.1494 29.9532 177.0938 552 P 4.4883 0.0000 0.0000 65.1587 31.6075 178.4410 553 A 4.2159 7.3817 117.0941 54.8927 18.6161 181.4140 554 L 4.2103 7.9922 117.4138 54.7923 41.8498 179.2109 *556 D 4.4671 8.0793 118.8904 54.4280 43.1349 176.6444 557 D 4.4057 8.1312 117.9162 57.5451 40.9953 178.2673 558 R 3.8169 7.8696 118.8011 59.2620 30.0166 178.4334 559 K 3.8808 7.8456 119.1696 59.6325 32.0440 178.6125 560 H 4.2059 7.9850 116.2928 58.6869 28.5277 177.7296 561 K 4.0140 7.9373 119.4964 59.3247 31.9003 179.2379 562 I 3.8491 7.7446 119.7405 64.5503 37.2368 177.9776 563 C 4.4415 8.1309 117.5918 62.5532 27.9290 176.3862 564 S 4.4248 8.0582 114.9558 59.2336 62.1991 175.4823 *566 Y 4.6447 7.8642 125.0883 57.8474 40.3116 176.8323 567 D 4.3450 8.6162 119.5999 56.8766 40.5370 178.0472 568 N 4.4757 7.8270 115.6159 55.2127 38.8738 177.1852 569 L 4.2940 7.7150 119.8936 57.5913 42.0119 178.8365 570 R 4.1212 7.9025 114.9089 55.9567 31.0782 176.3481 571 G 3.5034 7.8619 107.4254 45.8423 0.0000 172.3156 572 K 4.5540 7.4409 116.8637 55.3788 35.4468 176.7000 573 L 4.5577 7.9817 117.4922 54.5854 43.9881 176.0818 *578 R 4.1354 7.7918 113.6076 55.5386 30.4451 173.5743 579 P 4.3205 0.0000 0.0000 62.5389 31.7986 176.2221 580 S 4.4020 8.3845 115.3862 58.5782 63.8658 174.1265 581 D 4.6578 8.4807 119.3819 55.9917 40.9416 178.3009 582 D 4.3965 7.4508 115.9609 57.8882 40.8853 177.8424 583 H 4.0330 8.4229 117.7723 59.7197 29.5310 176.6366 584 F 4.2240 8.2872 120.4121 61.2446 39.3676 176.6999 585 V 3.7782 8.0455 117.3287 66.1522 31.2154 177.7572 586 Q 4.2092 8.3432 117.8848 58.6425 28.8665 179.6875 587 I 4.4057 7.2505 122.6413 60.9677 36.1358 177.8542 *589 C 4.3527 8.1136 119.1489 59.6607 30.3850 175.7712 590 I 3.9812 6.9428 119.6211 60.4693 38.7147 177.0455 591 R 3.7691 8.3057 122.9830 59.6635 29.9618 179.0618 592 K 4.0543 7.9749 117.4228 59.0705 32.1952 178.6200 593 G 4.0569 7.6526 106.5119 47.3634 0.0000 175.4098 594 K 4.1040 7.9286 121.7169 58.5645 31.7535 179.6074 595 R 3.9489 7.5410 114.8084 57.2330 29.9762 177.1582 *597 V 4.1166 7.7753 118.7383 62.5397 33.0501 176.7421 598 A 4.1330 7.6970 118.5604 53.2426 17.9649 177.3653 599 R 4.5873 7.8041 114.2827 55.8143 32.1154 176.6164 600 I 4.4648 7.8453 117.8793 63.5739 37.8600 177.4168 601 L 3.9857 8.0002 119.6335 57.8023 41.2076 177.5676 602 P 4.1171 0.0000 0.0000 65.6360 31.1848 178.1156 603 F 4.3620 8.0716 115.4939 58.7881 39.4258 176.6140 604 L 4.1172 7.1423 117.4646 54.6840 42.1862 177.7101 605 S 4.4196 8.3827 117.1103 57.8517 65.2211 175.6611 606 T 3.8208 8.3110 118.3255 67.0639 68.1161 176.5993 607 E 3.9477 8.0371 119.6672 59.4554 29.6667 179.3794 608 Q 3.6728 7.7078 117.9443 58.7915 28.7545 178.6214 609 A 4.1254 8.6462 121.9383 55.1739 18.2243 179.5408 610 A 4.0475 8.0643 118.3919 55.2536 18.4415 179.0951 611 D 4.4219 7.7343 115.7149 57.5642 41.6321 178.2147 612 I 3.6735 7.7407 120.0577 63.9034 37.0179 177.6812 613 L 4.0495 8.0728 119.9455 55.9126 41.9985 178.6404 *615 T 4.2643 7.9135 115.9362 63.4447 70.5643 176.5929 616 T 4.0764 8.1670 117.8342 66.6265 68.1809 176.7055 617 A 4.0406 8.0300 121.9798 55.0871 18.4738 179.4207 618 R 4.1443 7.6005 115.8003 58.3920 29.9621 176.8512 619 N 5.1346 7.6962 115.1410 52.5909 39.9959 175.8531 620 L 3.9525 8.3831 122.3131 57.9903 42.0373 176.8142 621 P 4.1991 0.0000 0.0000 65.9307 30.8821 178.4117 622 F 4.3437 7.9002 118.4400 60.7518 39.0603 176.4023 623 L 3.7665 7.6360 116.8054 56.0958 41.8251 178.4566 624 I 3.9693 7.6643 120.6301 63.9290 36.8393 178.2649 625 K 3.9509 7.8015 118.9760 59.2865 31.7590 179.1585 626 K 4.0077 7.2117 116.8724 57.8787 32.0643 177.2153 627 D 4.7231 7.3333 118.3374 53.8223 41.2298 177.7915 628 A 4.0473 7.5792 122.9625 54.1320 18.8001 179.6694 629 Q 4.3048 7.9850 113.3290 58.1391 29.8169 176.8575 630 D 4.3843 8.1284 115.9501 55.7965 41.3945 176.0968 631 E 4.4193 7.5130 115.3464 56.2119 26.8573 174.5013 632 V 4.4493 9.3721 109.3433 59.8207 34.3751 177.7550 633 L 3.6898 8.1659 121.9478 57.4026 41.3396 177.2255 634 P 4.7420 0.0000 0.0000 65.6797 30.9885 177.7924 635 C 4.3605 7.7530 111.3146 60.1761 29.8534 174.9361 636 L 4.2381 8.2800 121.6963 55.9308 41.4602 178.3694 637 L 4.3256 7.9701 121.2235 58.3426 41.9288 178.6915 638 S 4.1365 8.1721 112.3457 61.0385 62.1442 174.1071 639 P 4.2245 0.0000 0.0000 65.7973 31.4796 178.4279 640 F 4.6121 8.0715 116.4414 60.4946 37.6069 177.6537 641 S 4.2796 8.6365 113.3768 61.5128 61.9062 176.1344 642 L 4.3784 7.9149 121.2223 57.0175 41.3525 179.0887 643 L 3.9987 7.8777 120.5340 58.0405 42.0422 178.7681 644 L 4.0154 7.6654 119.0812 57.4453 41.1681 177.9997 645 Y 4.4874 7.3480 114.5903 58.4023 37.6376 175.4014 646 H 4.9076 8.4964 115.1824 55.1632 29.9255 173.3269 647 L 4.7238 7.4185 119.3233 51.9565 44.1966 175.4076 648 P 4.5079 0.0000 0.0000 61.9673 33.4607 177.7001 649 S 3.9321 8.3231 113.0944 61.6114 62.9100 176.5205 650 V 3.5574 7.6573 121.4186 65.9918 31.3111 178.0880 651 S 4.2423 7.8233 115.7428 60.9625 62.6645 176.5453 652 I 3.7058 7.5983 122.1929 64.6082 36.7528 178.5948 653 T 4.1477 8.1832 116.9898 66.7504 68.4120 176.8625 654 S 4.1350 8.0295 115.9166 61.5193 62.9080 176.5665 655 L 4.0814 8.0456 122.7003 57.2494 41.1154 179.2694 656 L 3.9214 8.0705 119.7844 58.2005 42.3839 178.7272 657 R 3.9922 8.2817 118.9529 59.3684 29.7587 178.2795 658 Q 4.0185 8.0411 118.8383 58.7003 29.0951 177.4752 659 L 4.0260 7.7554 117.1087 56.0265 42.9474 176.6651 *661 N 4.3974 7.8130 114.2369 53.4990 39.5791 174.0513 662 L 4.1531 7.8136 119.0501 53.6770 43.0980 176.0786 663 P 4.1543 0.0000 0.0000 63.3600 31.7712 177.1177 664 Q 3.9684 8.9431 122.5800 59.3750 28.9221 178.4745 665 S 4.1020 8.0815 112.0182 59.1308 63.0459 176.0372 666 A 3.7423 7.8374 120.5133 52.5430 17.5903 177.7380 667 A 4.3651 7.5886 118.1722 51.6671 20.1754 177.3356 668 T 4.6421 7.8760 102.4439 59.5354 68.3035 171.7835 669 P 4.1592 0.0000 0.0000 64.8469 32.0354 177.8988 670 A 3.8569 8.1567 117.5456 51.9384 15.8757 177.7556 671 L 4.1248 7.5803 116.9373 55.5822 42.2933 176.7587 672 S 4.6533 8.3698 116.9708 57.0843 64.0028 172.9533 673 N 5.1344 8.2062 121.9163 49.9219 40.1618 173.7742 674 P 4.3844 0.0000 0.0000 65.4957 30.9616 178.1041 675 H 4.0231 8.3009 117.2789 59.4451 29.7624 176.6383 676 L 4.0190 7.6998 121.9053 58.4065 41.8594 178.8556 677 T 3.8362 7.5396 114.5948 66.9516 68.5329 175.8408 678 A 3.9795 8.1113 122.0834 55.4979 18.1295 179.8436 679 V 3.5603 7.2629 114.7269 66.2528 32.0089 178.0683 680 L 4.1480 8.1039 118.6303 57.7304 41.1973 179.4645 681 Q 4.1666 8.2265 117.7883 57.3381 29.2457 176.1010 682 N 4.7815 7.3648 117.9591 52.0305 39.8880 174.8749 683 K 3.9777 8.1879 123.6383 59.8103 32.0552 179.1362 684 F 4.2989 8.3429 120.0334 61.3235 39.7319 177.5415 685 G 3.5906 8.8459 105.6966 47.8531 0.0000 175.3117 686 L 3.9170 7.9611 123.3074 57.7523 42.1795 178.9955 687 S 4.0826 8.0997 115.1543 61.7294 62.7837 176.6120 688 L 3.7731 7.9501 123.1987 57.8471 41.7141 178.7790 689 L 3.9228 7.5628 119.9139 57.9251 42.0103 178.9777 690 L 4.0131 7.9782 119.3037 57.8818 41.6862 179.5581 691 I 3.9036 7.7516 112.5029 63.3836 37.5258 178.2850 692 L 3.9518 7.7280 120.9701 57.7179 41.4877 179.2093 693 L 4.1374 7.9920 118.9770 57.7494 41.3086 179.4689 694 S 4.1933 7.9449 112.0148 61.4713 62.6980 175.8412 695 R 3.8772 8.0480 121.4356 59.3710 29.7695 178.5417 696 G 3.1645 8.2295 105.6463 47.7135 0.0000 175.1935 697 E 4.0620 8.2872 121.3396 58.7065 29.3648 178.4473 698 D 4.3090 7.6929 117.6634 57.3484 41.1848 177.7865 699 L 3.9949 7.6618 118.9587 57.7855 41.1194 178.8786 700 Q 3.7187 7.6531 118.9769 59.4388 28.6287 178.8006 701 S 4.3137 7.6061 113.0951 60.1393 62.5628 173.6362 702 S 3.9291 7.0854 116.8239 59.3857 62.3123 173.3850 703 D 4.1313 7.9361 125.8900 59.4251 39.2887 173.4530 704 P 4.2762 0.0000 0.0000 64.4377 28.0380 175.5401 *711 N 4.8681 8.4230 119.6899 52.1534 39.3698 176.3883 712 N 4.3928 8.2518 117.3855 56.9165 38.6505 176.9736 713 Q 4.0642 8.1269 118.8875 58.4082 28.6577 178.2608 714 W 4.2391 8.1438 128.4660 60.7709 30.8985 177.6752 715 T 3.9456 8.1611 114.8606 66.6970 68.0274 175.9921 716 E 4.1536 7.7652 120.1761 58.9414 29.6614 179.0726 717 V 3.7189 7.4305 116.1919 63.0348 31.8293 176.0061 *719 F 4.5488 8.2656 112.6690 56.8662 40.6521 177.1199 *721 A 4.2319 8.0695 125.0521 52.4627 20.3857 180.0826 722 T 3.8782 7.7692 106.3458 65.0012 68.3684 176.8260 723 R 3.9483 7.8993 118.6597 58.2986 29.5242 178.0381 724 E 4.1183 8.0185 119.4849 58.3238 29.7252 177.9734 725 L 3.9720 7.7066 118.5619 57.7516 41.7388 179.1438 726 L 4.0804 7.5508 117.6182 57.8134 41.5703 179.0550 727 R 3.9628 7.3952 117.5028 58.0830 30.4301 176.5518 728 I 3.6958 7.3040 119.2582 60.7886 38.1502 174.6991 729 P 4.4161 0.0000 0.0000 62.7042 31.8615 177.1491 730 Q 4.0404 8.5921 119.8329 58.9882 28.7427 178.1955 731 A 4.0745 7.9541 120.8295 54.8420 18.6167 178.5205 732 A 4.2273 7.3898 115.3236 51.9930 19.1707 176.9963 733 L 4.2779 7.2017 120.5316 54.3280 42.9719 177.1734 734 A 4.3504 8.2720 128.2661 51.4348 20.4680 175.9128 735 K 4.4086 8.3749 118.7738 54.0796 33.4557 175.0904 736 P 4.3903 0.0000 0.0000 62.4932 31.9261 176.9313 737 I 3.8863 8.3882 124.4328 64.2271 37.2863 176.4531 738 S 4.6301 7.6749 111.1836 56.7155 65.2576 172.7138 739 I 4.4718 8.0585 125.8461 58.6380 38.7669 174.1816 740 P 4.4887 0.0000 0.0000 62.8814 31.9665 176.5497 741 T 4.2342 8.4676 111.1282 64.1763 69.6186 176.0745 742 N 4.7414 8.0739 117.3648 53.4580 37.3612 176.6257 743 L 4.0025 7.7467 123.4974 58.3042 41.7559 179.6479 744 V 3.8485 7.8906 111.9295 64.4215 31.2682 178.3399 745 S 4.2974 7.9548 113.1869 60.1615 62.5002 175.4953 746 L 4.3962 7.5249 124.4605 57.8667 41.9167 179.1275 747 F 4.3751 8.1160 117.9441 60.3760 38.3535 177.8477 748 S 4.2830 8.1987 113.4142 61.2642 62.4254 176.6617 749 R 3.8762 7.6963 121.0671 58.0828 29.8307 176.6343 750 Y 4.5921 7.8337 113.5974 57.4670 39.9905 175.3614 751 V 4.5685 7.4816 111.1726 59.2347 35.9279 174.2114 752 D 4.7849 8.2341 120.7150 52.1866 41.0342 177.4933 753 R 3.9616 8.4963 117.5667 59.8360 29.8867 178.1048 754 Q 3.9161 8.3066 118.7655 59.8252 28.8279 178.5142 755 K 4.1145 8.6582 119.1278 58.8854 32.3037 179.3303 756 L 3.8956 7.9212 121.1851 58.0984 41.8470 178.8121 757 N 4.3327 8.1321 116.4623 56.3007 38.5315 177.4281 758 L 3.9456 7.4814 119.2830 57.5773 41.6697 179.6732 759 L 3.7518 8.0897 119.2648 57.6893 41.5903 179.2599 760 E 3.8995 8.0782 118.3705 59.9182 29.5739 179.6249 761 T 3.8603 8.1103 115.8967 66.5285 68.2325 176.6564 762 K 4.3312 7.8541 122.0255 58.0434 32.2935 177.9823 763 L 4.5357 7.5266 115.6792 53.0293 42.8763 176.2776 764 Q 3.3530 7.6383 115.7093 56.8207 26.9664 174.0124 765 L 4.2011 7.7863 120.8922 55.2043 41.5424 177.7096 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 515 D 8.21 4.59 0.00 2.70 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 516 P 0.00 4.06 0.00 2.38 2.30 0.00 3.76 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 517 D 8.37 4.42 0.00 2.89 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 0.00 518 K 7.83 3.91 0.00 1.85 2.10 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.50 7.81 519 R 7.86 3.90 0.00 1.94 2.01 0.00 3.15 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 520 R 7.96 3.92 0.00 2.03 1.97 0.00 3.17 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 1.64 1.67 0.00 521 K 7.91 4.04 0.00 1.91 1.86 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.78 7.81 522 T 8.00 3.81 4.39 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 1.15 0.00 0.00 523 L 8.22 3.94 0.00 1.78 1.69 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 524 V 7.72 3.57 2.24 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 1.04 0.00 0.00 1.02 0.00 0.00 525 I 7.93 3.72 2.10 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.29 0.96 0.00 0.00 526 I 7.86 3.79 2.03 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 1.50 0.80 0.90 0.00 0.00 527 E 8.27 3.96 0.00 2.15 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 0.00 2.54 2.48 0.00 528 K 8.22 4.01 0.00 1.82 1.89 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.73 7.81 529 T 8.04 3.96 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 1.25 0.00 0.00 530 Y 8.59 4.02 0.00 3.15 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 0.00 531 S 8.32 4.10 0.00 4.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 532 L 7.65 3.94 0.00 1.81 1.65 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 533 L 7.77 3.68 0.00 1.60 1.54 0.86 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 534 L 7.17 3.87 0.00 1.70 1.64 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 535 D 7.58 4.41 0.00 2.79 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 0.00 536 V 7.78 3.50 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 0.28 0.00 0.00 0.80 0.00 0.00 537 E 8.06 4.31 0.00 1.98 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 2.60 2.28 0.00 538 D 7.86 4.66 0.00 2.98 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 0.00 539 Y 7.84 4.19 0.00 3.16 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 0.00 540 E 8.31 3.65 0.00 2.00 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 2.64 2.40 0.00 541 R 7.78 4.00 0.00 1.81 2.07 0.00 3.09 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 2.33 2.44 0.00 725 L 7.71 3.97 0.00 1.71 1.61 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 726 L 7.55 4.08 0.00 1.61 1.68 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 727 R 7.40 3.96 0.00 1.96 2.05 0.00 3.28 0.00 0.00 3.38 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 728 I 7.30 3.70 1.86 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 1.35 0.52 0.90 0.00 0.00 729 P 0.00 4.42 0.00 2.20 2.17 0.00 3.68 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 2.07 1.95 0.00 730 Q 8.59 4.04 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 731 A 7.95 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 0.00 732 A 7.39 4.23 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 733 L 7.20 4.28 0.00 1.85 1.78 0.90 1.11 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 0.00 734 A 8.27 4.35 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 0.00 735 K 8.37 4.41 0.00 1.74 1.74 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.51 7.81 736 P 0.00 4.39 0.00 2.10 1.99 0.00 3.76 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 737 I 8.39 3.89 1.93 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 1.27 0.39 0.96 0.00 0.00 738 S 7.67 4.63 0.00 3.80 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 0.00 739 I 8.06 4.47 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.81 0.95 0.00 0.00 740 P 0.00 4.49 0.00 2.08 2.03 0.00 3.71 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 741 T 8.47 4.23 4.27 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 1.23 0.00 0.00 742 N 8.07 4.74 0.00 3.04 3.12 0.00 0.00 6.28 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 743 L 7.75 4.00 0.00 1.81 2.01 1.03 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 744 V 7.89 3.85 2.29 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 0.96 0.00 0.00 0.98 0.00 0.00 745 S 7.95 4.30 0.00 3.89 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 0.00 746 L 7.52 4.40 0.00 1.69 1.58 1.30 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 747 F 8.12 4.38 0.00 3.17 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 0.00 748 S 8.20 4.28 0.00 4.08 4.33 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 0.00 749 R 7.70 3.88 0.00 1.38 1.46 0.00 3.11 0.00 0.00 3.10 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.95 0.00 750 Y 7.83 4.59 0.00 2.61 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 751 V 7.48 4.57 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 0.69 0.00 0.00 1.04 0.00 0.00 752 D 8.23 4.78 0.00 2.92 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 753 R 8.50 3.96 0.00 1.92 2.04 0.00 3.20 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 754 Q 8.31 3.92 0.00 2.16 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 755 K 8.66 4.11 0.00 1.91 1.78 0.00 1.62 0.00 0.00 1.57 0.00 0.00 3.13 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.46 7.81 756 L 7.92 3.90 0.00 1.95 1.83 1.02 0.68 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 0.00 757 N 8.13 4.33 0.00 3.00 2.83 0.00 0.00 7.00 6.76 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 0.00 758 L 7.48 3.95 0.00 1.93 1.65 1.02 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 759 L 8.09 3.75 0.00 1.55 1.15 0.37 0.47 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 0.00 760 E 8.08 3.90 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 761 T 8.11 3.86 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 0.00 762 K 7.85 4.33 0.00 1.89 1.88 0.00 1.56 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.30 7.81 763 L 7.53 4.54 0.00 1.65 1.65 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 764 Q 7.64 3.35 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.59 6.97 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 765 L 7.79 4.20 0.00 1.70 1.64 1.02 0.85 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 * Residues marked with a * may have inaccurate shift predictions.