NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 438 E 4.4655 8.3033 120.1803 56.2488 31.4103 174.3080 439 K 4.6504 8.6491 121.7159 54.0179 36.4498 169.9587 440 V 4.5551 8.8332 120.3396 61.4307 36.0652 173.0406 441 K 4.1257 8.4663 126.4767 55.3540 32.4768 175.1135 442 K 4.0818 9.0112 129.8525 56.8668 33.5330 177.0198 443 L 4.6541 7.2498 119.0633 54.3123 42.2079 177.3244 444 D 4.5380 8.1229 116.0218 54.0129 39.1059 174.6891 445 K 4.6632 7.3699 118.7084 54.0753 35.0259 175.4400 446 W 4.8976 9.0796 124.7174 56.6573 29.8069 176.0921 447 V 4.6398 9.6970 124.4770 59.4752 34.4476 172.2207 448 P 4.3239 0.0000 0.0000 61.8317 31.7248 176.2136 449 H 4.4267 8.7314 123.3101 57.8093 30.3489 174.8441 450 E 4.5984 7.7232 111.6682 55.7961 31.6359 175.2181 451 L 4.1352 8.5143 126.6986 55.1633 42.4587 177.7588 452 T 4.2674 9.6236 112.9477 60.7673 69.9375 175.4699 453 E 3.9215 8.6130 122.1012 59.3440 29.2026 178.1132 454 N 4.5775 7.9977 116.5558 55.8850 38.8871 176.6916 455 Q 4.2447 7.9622 119.5109 58.3873 29.0284 178.1815 456 K 4.3162 7.8361 120.3185 58.5923 32.1002 179.0593 457 N 4.3839 7.9727 117.3556 56.3677 38.4729 177.6780 458 R 4.0672 7.7516 118.2060 59.0737 29.9962 179.4709 459 R 3.9388 7.8747 118.1727 59.1665 30.1749 178.7285 460 F 3.9774 8.4572 120.5696 61.2435 39.3949 176.7231 461 E 4.0059 8.7968 119.3556 59.3661 29.4053 179.0306 462 V 3.4658 7.7603 118.2407 65.8967 31.6251 178.1129 463 S 3.6486 8.1292 115.1267 61.4852 62.7052 176.3073 464 S 3.8470 8.0134 116.0128 61.8359 61.9898 176.6678 465 S 4.0883 7.8318 117.3444 61.2250 62.3575 176.8663 466 L 3.6538 7.6397 121.9685 57.5958 41.2781 179.1427 467 I 3.8659 7.2862 119.7134 64.6644 37.1426 178.4284 468 L 3.9683 7.8039 119.3214 57.8038 41.4289 179.3653 469 R 3.9350 8.3089 119.0826 59.7570 29.8601 178.0342 470 N 4.2804 8.7178 116.9181 56.6625 38.6781 176.4281 471 H 4.1458 8.1047 119.0799 58.6850 29.9744 176.2109 472 N 4.6983 7.8860 117.2377 54.5618 40.4492 175.1479 473 E 4.6260 8.5250 119.6544 52.5505 29.9948 172.1198 474 P 4.2712 0.0000 0.0000 62.3890 32.1346 176.3198 475 F 4.9671 7.8392 113.7826 55.9045 40.1981 175.9875 476 L 3.7538 7.6231 122.6004 58.1131 41.4013 178.0943 477 D 4.7455 7.9434 114.6235 53.7800 39.7204 176.5023 478 R 4.5858 8.1632 118.4835 56.2349 32.1763 175.5159 479 I 4.4632 7.6052 121.1891 61.0112 37.8881 175.4581 480 V 4.4274 9.1951 127.9442 61.5137 33.6005 174.4751 481 T 5.4386 8.4859 121.2599 59.7608 71.2721 171.8320 482 C 5.0576 8.0830 117.1275 58.7094 32.0703 171.9300 483 D 4.5962 8.0219 118.6476 53.9747 44.5930 173.1068 484 E 5.2151 8.8128 119.0197 54.4065 32.9026 175.8803 485 K 4.3268 8.3439 122.5395 54.2136 35.9562 175.2551 486 W 4.8426 8.7138 127.2015 56.8519 29.9540 175.4807 487 I 4.4177 9.1701 127.0462 59.9645 37.9796 175.0070 488 L 4.8003 8.5578 127.4673 54.2004 42.6364 177.6961 489 Y 4.0224 9.3754 121.1661 60.3422 39.1395 175.1129 490 D 4.6827 7.8535 117.6165 52.0971 43.7331 175.3706 491 N 4.3328 9.0714 127.8265 57.3080 38.9879 182.3339 492 R 2.8900 8.0077 114.7649 58.0098 34.1252 179.3556 *514 H 4.8423 7.4500 122.6498 55.4027 31.0757 175.7773 515 P 4.4656 0.0000 0.0000 62.1457 32.4230 174.6191 516 K 4.7325 7.8182 116.5757 54.9811 34.5860 175.8160 517 K 5.2666 8.2821 119.9917 56.6925 35.1722 174.5094 518 V 4.8254 8.9328 120.9459 60.2681 34.9363 174.0595 519 M 4.7196 9.1007 124.4183 54.8078 33.4495 174.9449 520 V 4.5410 8.3895 125.8170 60.1940 34.7659 174.7724 521 T 5.1522 8.3372 118.5121 61.8167 72.0194 172.7242 522 I 5.2802 8.4143 125.8678 59.0119 41.6425 173.9193 523 W 5.4350 9.9916 128.8432 54.7327 32.0221 174.6635 524 W 5.6244 8.9454 120.9678 55.6654 31.9973 173.2292 525 S 4.8993 9.0079 114.2493 56.6606 66.0269 174.7577 526 A 4.3798 8.7864 121.5419 55.0187 18.2189 178.8733 527 A 4.1772 7.8483 118.3201 54.1628 18.9149 177.7998 528 G 3.6883 7.5240 101.8769 43.5513 0.0000 172.4758 529 L 4.2297 7.1832 121.7058 55.2826 42.6899 176.8156 530 I 4.5058 8.1693 123.0796 62.6784 40.1852 175.7706 531 H 4.6896 7.8416 117.1226 55.6372 32.7432 172.6332 532 Y 5.6017 8.3091 122.7511 55.6279 41.4235 174.2528 533 S 4.5351 8.6897 113.8607 57.0336 67.0443 172.5877 534 F 5.2034 8.7580 118.6483 55.6892 41.7455 174.5946 535 L 4.7054 8.7919 124.4296 53.2114 43.1562 176.1617 536 N 4.5216 8.6507 124.8326 52.4034 39.0962 173.1593 537 P 4.2240 0.0000 0.0000 64.7505 31.8017 176.4398 538 G 3.8168 9.8908 112.7804 46.1960 0.0000 173.0556 539 E 4.7184 7.8694 114.3784 54.1164 30.0029 175.3264 540 T 3.8963 8.0703 114.4848 64.3863 69.4277 174.5221 541 I 4.0436 8.2663 126.1621 60.9174 39.0399 175.2021 542 T 4.7978 8.0455 115.0201 59.1945 73.0235 174.6560 543 S 4.8423 8.6108 117.0182 61.3636 62.2371 176.3809 544 E 4.0697 8.1988 120.6095 58.7120 29.2655 179.0149 545 K 4.0830 7.7905 118.6613 59.6748 32.8593 178.4658 546 Y 4.0649 8.3327 120.5961 60.5244 38.4749 177.7742 547 A 4.0432 8.1680 120.5089 55.5790 18.7003 179.2789 548 Q 3.9933 7.7864 115.5104 59.2026 28.7600 178.6448 549 E 3.6921 8.6241 120.2411 59.7309 29.4755 179.4668 550 I 2.7007 7.8370 119.7792 64.4837 36.7648 178.0033 551 D 4.1441 7.7411 118.5983 56.8098 40.9638 177.7139 552 E 3.9547 7.6967 117.4222 58.4593 30.1287 177.8798 553 M 3.4859 7.5373 119.6751 58.6820 32.0258 177.8276 554 N 4.3224 8.0701 117.0758 56.5149 38.9888 176.6504 555 Q 3.8924 7.5297 120.6253 59.1164 29.2507 178.3436 556 K 3.9750 8.0843 119.5995 59.0848 31.9826 179.1764 557 L 3.8865 7.8963 120.7106 58.1657 41.8799 178.4296 558 Q 3.9387 7.8585 118.1118 59.5400 28.9513 178.7547 559 R 4.0464 7.5289 116.7675 59.2098 30.2079 178.4020 560 L 4.1300 7.4988 117.2955 60.0377 42.2345 179.6948 561 Q 4.2631 8.2370 116.2145 54.7068 30.2542 175.9348 *569 R 3.9790 7.8159 121.0383 56.2719 31.2861 173.0270 570 P 4.7645 0.0000 0.0000 62.4425 33.6434 174.7539 571 I 4.9175 8.6614 120.7810 59.4900 40.8730 174.2408 572 L 5.0909 9.1024 129.3438 53.5258 44.2697 174.6320 573 L 5.1123 8.9050 128.9872 53.8218 44.2572 174.7110 574 H 4.9576 8.5446 120.3231 54.6659 31.7086 172.7727 575 D 4.4318 8.4930 118.8225 53.6749 40.3978 175.4413 576 N 4.3516 8.5730 123.7893 53.6361 38.0824 175.0279 577 A 4.5739 8.2282 122.8949 52.6641 19.5680 176.8769 578 R 4.6887 7.3366 117.9169 54.5021 33.9444 175.6353 579 P 4.1510 0.0000 0.0000 66.3733 31.3823 177.6963 580 H 4.3609 7.8606 113.8025 56.3810 28.6393 175.1017 581 V 4.2435 6.7902 121.6557 61.3542 29.8412 173.9030 582 A 4.6898 8.1065 126.3906 49.0469 23.0112 176.4503 583 Q 3.9530 8.9411 117.0090 59.4535 28.6703 177.8278 584 P 4.2394 0.0000 0.0000 65.9445 31.4720 178.3583 585 T 3.9631 8.0072 113.9161 66.9531 68.3990 176.1320 586 L 4.0201 8.0702 120.4454 57.9637 41.6190 179.4296 587 Q 3.9460 8.5542 119.5888 59.1152 28.9269 178.2414 588 K 3.8474 8.2679 120.7529 59.6201 32.1610 178.3936 589 L 3.9215 7.9449 118.9269 57.8752 41.6870 178.9814 590 N 4.2832 8.2967 116.7806 56.9348 38.6774 176.3146 591 E 3.9763 8.2986 119.3809 59.0444 29.7950 177.9435 592 L 4.4778 8.1906 116.5731 54.4550 42.0987 177.1790 593 G 3.8081 7.8906 106.6413 46.1292 0.0000 172.6463 594 Y 4.4137 8.2379 118.0208 56.1819 39.0203 175.2699 595 E 4.2421 8.3681 126.4104 55.8439 31.1430 175.2290 596 V 4.6749 8.2494 126.6875 61.3604 32.9763 174.9428 597 L 4.1788 8.7544 131.0665 53.8860 42.6869 174.9123 598 P 4.2768 0.0000 0.0000 63.3863 31.8396 175.4202 599 H 4.8162 8.4393 121.3883 53.7221 32.4407 171.0995 600 P 4.3680 0.0000 0.0000 61.6497 31.9340 174.4511 601 P 4.0190 0.0000 0.0000 64.2877 31.9422 175.2453 602 Y 3.8796 7.9837 115.6642 60.0265 35.9774 171.1218 603 S 5.3822 7.5843 109.3478 55.7252 64.1389 174.1096 604 P 4.4004 0.0000 0.0000 65.6295 31.8607 178.6691 605 D 4.6797 8.2712 116.0884 54.8386 39.3079 176.8900 606 L 5.0007 8.2625 118.1322 54.3417 43.4221 175.9221 607 L 4.6662 8.0206 120.5356 52.2609 42.6378 175.5669 608 P 2.9700 0.0000 0.0000 65.2225 31.7513 179.0946 609 T 3.8166 7.9623 114.6745 66.4368 68.6501 176.0822 610 N 4.3597 7.9558 118.2490 55.6885 38.8436 175.8430 611 Y 4.4483 7.4896 113.5243 57.9804 38.5070 174.5239 612 H 4.7517 7.0791 117.7345 57.5820 32.0454 175.3080 613 V 3.6143 7.2373 118.7646 66.3049 31.8180 178.4121 614 F 4.5928 9.1017 118.4471 60.3768 38.6887 177.8338 615 K 4.0028 8.0504 119.2285 59.7368 32.1336 178.4532 616 H 4.3152 8.2973 116.6176 58.3472 28.6063 177.1029 617 L 2.5028 7.9893 122.6926 58.0651 41.8576 178.5628 618 N 4.2227 7.8858 115.7389 56.8585 38.3711 176.9973 619 N 4.3315 7.6371 115.9770 56.4475 38.6647 176.9313 620 F 4.3083 7.9380 121.1982 60.8822 39.8842 176.9341 621 L 4.1214 8.2439 118.6520 55.4627 41.5076 176.8644 622 Q 3.7433 7.1948 120.3761 57.5249 29.1982 176.1970 623 G 3.7580 8.7119 113.8482 46.5465 0.0000 172.9517 624 K 4.3320 7.4085 116.9387 53.8359 35.4054 175.3125 625 R 4.6781 8.1531 124.4841 54.4533 31.8391 174.7511 626 F 4.9831 9.5787 125.2384 56.5174 41.3344 174.9026 627 H 4.8585 9.1753 117.1728 56.9289 30.3796 174.6006 628 N 5.2416 7.8570 114.9815 50.6579 40.1441 175.2165 629 Q 3.8592 8.9214 120.4629 58.9781 29.1693 178.1069 630 Q 3.8613 8.2139 119.7800 59.2562 28.5386 178.4496 631 D 4.1897 7.9639 118.9010 57.2953 41.2129 177.7752 632 A 2.5800 6.8363 119.6049 55.1297 18.1201 179.2671 633 E 3.5783 7.6373 116.0784 59.7994 29.3658 179.7234 634 N 4.4040 7.9385 115.7981 55.8582 38.5504 177.4900 635 A 4.1949 8.1353 122.9667 55.2090 18.4880 179.0959 636 F 4.0341 8.2440 118.7338 61.7440 39.5714 176.9004 637 Q 3.8497 9.0052 119.3862 59.0431 28.9941 178.0758 638 E 3.9033 8.4335 120.7600 59.0618 29.4422 178.6690 639 F 3.4495 7.4294 120.7776 60.5715 39.6808 177.3026 640 V 3.0109 7.3453 112.2990 64.2641 31.0724 178.5767 641 E 4.0388 7.6931 117.1128 58.7162 29.2476 178.5110 642 S 4.3220 7.4604 112.6748 57.7016 63.2744 173.1604 643 Q 4.0226 6.9088 122.1325 54.1551 29.9081 175.9747 644 S 4.4189 8.1103 116.8825 57.9739 64.1229 175.2927 645 T 4.2081 8.5741 112.3734 65.2661 68.5102 176.1523 646 D 4.5142 8.3196 121.1715 57.1236 40.5919 178.5080 647 F 4.1158 8.3751 121.6438 61.2885 39.4594 176.9325 648 Y 3.8535 7.9121 115.8520 60.7470 37.9812 177.2694 649 W 4.4755 8.8307 129.8196 61.3378 30.5558 178.1545 650 T 3.9932 8.2807 115.2234 66.3886 67.6560 176.9107 651 G 3.4295 7.2326 106.6771 47.8066 0.0000 175.5595 652 I 3.7960 7.6628 121.8289 64.0684 37.1197 177.9518 653 N 4.1251 7.4126 114.1381 54.4814 38.2181 176.3089 654 Q 4.0190 7.5823 121.3083 57.0834 29.1865 177.2892 655 L 3.4562 7.5438 120.3286 58.3819 41.5739 179.0582 656 I 3.5182 7.0815 118.9209 64.6780 36.9216 178.5036 657 S 4.0456 7.6641 115.1837 61.3845 62.6327 176.8491 658 R 3.5219 7.1541 120.5414 58.6561 29.8106 178.9149 659 W 4.3862 8.0119 119.1985 59.9007 29.0290 178.2646 660 Q 3.8865 8.1438 119.3640 59.1676 28.3719 178.3341 661 K 3.6864 7.8919 120.6495 59.1869 31.9077 178.4664 662 C 4.2001 7.5413 119.1194 62.3746 31.5498 175.2971 663 V 3.2851 7.6333 119.8503 66.3068 30.7844 177.6915 664 D 4.4733 8.0418 116.7271 57.5631 41.0341 177.2406 665 C 4.5271 8.0951 115.4392 59.0273 27.9726 173.4173 666 N 4.3973 9.8028 115.9443 54.3592 36.0165 175.1979 667 G 4.1013 8.8257 105.1089 45.4359 0.0000 174.6839 668 S 4.2842 7.5814 115.8771 57.1908 63.9477 173.4845 669 Y 4.4249 7.9221 119.4603 58.4117 37.8946 176.3476 670 F 5.0004 7.6991 116.9884 56.6353 39.4056 175.1008 671 D 4.2051 7.3517 125.9658 53.9653 38.8428 174.9073 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 438 E 8.30 4.47 0.00 1.98 1.98 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 2.32 2.37 0.00 439 K 8.65 4.65 0.00 1.82 1.91 0.00 1.91 0.00 0.00 1.72 0.00 0.00 2.78 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.51 7.81 440 V 8.83 4.56 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 0.89 0.00 0.00 0.97 0.00 0.00 441 K 8.47 4.13 0.00 1.53 1.45 0.00 1.10 0.00 0.00 1.21 0.00 0.00 2.46 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.68 0.21 7.81 442 K 9.01 4.08 0.00 1.51 1.55 0.00 0.61 0.00 0.00 1.21 0.00 0.00 2.13 0.00 0.00 2.33 0.00 0.00 0.00 0.00 1.09 0.99 7.81 443 L 7.25 4.65 0.00 1.65 1.64 1.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 444 D 8.12 4.54 0.00 2.82 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 0.00 445 K 7.37 4.66 0.00 1.70 1.81 0.00 1.79 0.00 0.00 1.93 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.46 7.81 446 W 9.08 4.90 0.00 3.41 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 0.00 447 V 9.70 4.64 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 0.75 0.00 0.00 1.26 0.00 0.00 448 P 0.00 4.32 0.00 2.03 1.89 0.00 3.36 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.46 0.00 449 H 8.73 4.43 0.00 3.18 3.36 0.00 5.99 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 450 E 7.72 4.60 0.00 1.81 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 2.06 2.09 0.00 451 L 8.51 4.14 0.00 1.51 1.50 -0.07 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 452 T 9.62 4.27 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 1.28 0.00 0.00 453 E 8.61 3.92 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 454 N 8.00 4.58 0.00 2.87 2.81 0.00 0.00 7.12 6.88 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 0.00 455 Q 7.96 4.24 0.00 2.39 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 456 K 7.84 4.32 0.00 1.78 1.97 0.00 1.91 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.49 7.81 457 N 7.97 4.38 0.00 2.86 2.87 0.00 0.00 6.88 7.71 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 0.00 458 R 7.75 4.07 0.00 1.90 1.99 0.00 3.30 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.84 0.00 459 R 7.87 3.94 0.00 2.03 2.08 0.00 3.18 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.85 0.00 460 F 8.46 3.98 0.00 3.27 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 0.00 461 E 8.80 4.01 0.00 2.16 2.09 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 2.30 2.34 0.00 462 V 7.76 3.47 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 0.92 0.00 0.00 0.94 0.00 0.00 463 S 8.13 3.65 0.00 3.81 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 0.00 464 S 8.01 3.85 0.00 3.34 3.87 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 0.00 465 S 7.83 4.09 0.00 3.94 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 0.00 466 L 7.64 3.65 0.00 0.27 0.13 0.29 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 467 I 7.29 3.87 1.98 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 1.80 1.38 0.93 0.00 0.00 468 L 7.80 3.97 0.00 1.80 1.71 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 515 P 0.00 4.47 0.00 2.12 1.93 0.00 3.41 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 1.87 1.75 0.00 516 K 7.82 4.73 0.00 1.20 1.31 0.00 1.61 0.00 0.00 1.87 0.00 0.00 2.78 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.25 1.12 7.81 517 K 8.28 5.27 0.00 2.00 1.79 0.00 0.90 0.00 0.00 1.40 0.00 0.00 2.28 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.07 1.17 7.81 518 V 8.93 4.83 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.17 0.00 0.00 519 M 9.10 4.72 0.00 1.82 0.57 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 520 V 8.39 4.54 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 -0.28 0.00 0.00 521 T 8.34 5.15 4.29 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 1.15 0.00 0.00 522 I 8.41 5.28 2.27 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.65 0.97 0.00 571 I 8.66 4.92 1.91 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.86 0.87 0.00 0.00 572 L 9.10 5.09 0.00 1.95 1.61 1.11 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 573 L 8.90 5.11 0.00 1.79 1.46 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 574 H 8.54 4.96 0.00 3.10 3.15 0.00 5.58 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 0.00 575 D 8.49 4.43 0.00 2.64 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 576 N 8.57 4.35 0.00 2.81 2.83 0.00 0.00 6.18 7.26 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 0.00 577 A 8.23 4.57 1.21 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 0.00 0.00 578 R 7.34 4.69 0.00 1.54 1.52 0.00 3.14 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 579 P 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 588 K 8.27 3.85 0.00 2.02 1.96 0.00 1.66 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.44 7.81 589 L 7.94 3.92 0.00 1.91 1.77 0.97 0.11 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 0.00 590 N 8.30 4.28 0.00 2.85 3.08 0.00 0.00 6.91 7.18 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 0.00 591 E 8.30 3.98 0.00 2.10 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 2.33 2.37 0.00 592 L 8.19 4.48 0.00 1.84 1.93 0.83 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 593 G 7.89 3.81 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 0.00 0.00 0.00 594 Y 8.24 4.41 0.00 2.90 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 0.00 595 E 8.37 4.24 0.00 1.93 1.77 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 2.24 2.21 0.00 596 V 8.25 4.67 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 0.90 0.00 0.00 1.00 0.00 0.00 597 L 8.75 4.18 0.00 1.74 1.59 0.54 1.14 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 0.00 598 P 0.00 4.28 0.00 1.99 1.93 0.00 3.56 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 1.92 2.02 0.00 599 H 8.44 4.82 0.00 3.06 3.16 0.00 5.93 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 0.00 600 P 0.00 4.37 0.00 2.24 2.22 0.00 3.81 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.03 0.00 601 P 0.00 4.02 0.00 2.06 1.72 0.00 3.82 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 602 Y 7.98 3.88 0.00 3.24 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 0.00 603 S 7.58 5.38 0.00 4.00 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 0.00 604 P 0.00 4.40 0.00 2.19 2.18 0.00 3.72 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 605 D 8.27 4.68 0.00 2.55 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 0.00 606 L 8.26 5.00 0.00 2.12 2.04 1.31 1.07 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 0.00 607 L 8.02 4.67 0.00 1.89 1.56 1.00 0.76 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 0.00 608 P 0.00 2.97 0.00 2.23 2.18 0.00 3.49 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.09 0.00 609 T 7.96 3.82 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 0.04 0.00 0.00 610 N 7.96 4.36 0.00 3.05 2.96 0.00 0.00 7.03 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 0.00 611 Y 7.49 4.45 0.00 3.02 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 612 H 7.08 4.75 0.00 3.06 3.10 0.00 5.79 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 613 V 7.24 3.61 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 1.12 0.00 0.00 -0.05 0.00 0.00 614 F 9.10 4.59 0.00 3.09 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 615 K 8.05 4.00 0.00 1.84 1.92 0.00 1.71 0.00 0.00 2.08 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.47 7.81 616 H 8.30 4.32 0.00 3.65 3.53 0.00 5.70 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 617 L 7.99 2.50 0.00 1.57 1.82 0.59 0.75 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 0.00 618 N 7.89 4.22 0.00 3.01 2.86 0.00 0.00 7.12 6.82 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 0.00 619 N 7.64 4.33 0.00 2.84 2.94 0.00 0.00 7.10 7.31 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 0.00 620 F 7.94 4.31 0.00 2.87 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 0.00 621 L 8.24 4.12 0.00 1.84 1.71 1.02 0.99 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 0.00 622 Q 7.19 3.74 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.40 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 623 G 8.71 3.76 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 0.00 0.00 0.00 624 K 7.41 4.33 0.00 1.52 0.91 0.00 1.41 0.00 0.00 1.41 0.00 0.00 2.46 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.07 1.14 7.81 625 R 8.15 4.68 0.00 1.62 1.62 0.00 3.19 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.53 0.00 626 F 9.58 4.98 0.00 2.97 2.80 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 0.00 0.00 0.00 627 H 9.18 4.86 0.00 3.22 3.37 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 628 N 7.86 5.24 0.00 3.01 3.01 0.00 0.00 5.83 7.38 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 0.00 629 Q 8.92 3.86 0.00 2.34 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.10 0.00 630 Q 8.21 3.86 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.70 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 631 D 7.96 4.19 0.00 3.12 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 0.00 632 A 6.84 2.58 0.70 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 0.00 0.00 0.00 0.00 0.00 0.00 633 E 7.64 3.58 0.00 1.77 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 1.47 1.92 0.00 634 N 7.94 4.40 0.00 2.98 2.88 0.00 0.00 6.86 7.30 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 0.00 635 A 8.14 4.19 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 0.00 636 F 8.24 4.03 0.00 3.29 3.39 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 0.00 637 Q 9.01 3.85 0.00 2.50 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.58 0.00 0.00 0.00 0.00 0.00 2.45 2.86 0.00 638 E 8.43 3.90 0.00 2.22 2.28 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 2.32 2.37 0.00 639 F 7.43 3.45 0.00 1.58 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 0.00 640 V 7.35 3.01 1.78 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 -0.36 0.00 0.00 0.56 0.00 0.00 641 E 7.69 4.04 0.00 2.05 1.98 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 2.39 2.35 0.00 642 S 7.46 4.32 0.00 3.87 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 0.00 643 Q 6.91 4.02 0.00 1.79 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.97 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 644 S 8.11 4.42 0.00 4.02 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 0.00 645 T 8.57 4.21 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 1.38 0.00 0.00 646 D 8.32 4.51 0.00 2.78 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 0.00 647 F 8.38 4.12 0.00 2.87 2.88 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 0.00 648 Y 7.91 3.85 0.00 3.51 3.66 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 0.00 649 W 8.83 4.48 0.00 3.66 3.28 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 0.00 650 T 8.28 3.99 4.38 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 1.21 0.00 0.00 651 G 7.23 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 652 I 7.66 3.80 1.67 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.74 0.71 0.00 0.00 653 N 7.41 4.13 0.00 1.86 2.32 0.00 0.00 7.08 7.29 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 0.00 654 Q 7.58 4.02 0.00 2.36 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 655 L 7.54 3.46 0.00 1.04 0.13 0.82 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 656 I 7.08 3.52 1.70 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.54 0.92 0.00 0.00 657 S 7.66 4.05 0.00 3.68 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 658 R 7.15 3.52 0.00 1.63 1.85 0.00 2.21 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.40 0.00 659 W 8.01 4.39 0.00 3.49 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 0.00 660 Q 8.14 3.89 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 661 K 7.89 3.69 0.00 1.50 0.74 0.00 1.55 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.24 1.26 7.81 662 C 7.54 4.20 0.00 3.26 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 0.00 663 V 7.63 3.29 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 0.87 0.00 0.00 0.51 0.00 0.00 664 D 8.04 4.47 0.00 2.82 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 0.00 665 C 8.10 4.53 0.00 3.25 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 0.00 666 N 9.80 4.40 0.00 2.80 2.76 0.00 0.00 7.17 7.21 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 0.00 667 G 8.83 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 0.00 0.00 0.00 668 S 7.58 4.28 0.00 3.95 3.82 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 0.00 669 Y 7.92 4.42 0.00 2.96 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 670 F 7.70 5.00 0.00 3.15 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 0.00 671 D 7.35 4.21 0.00 2.71 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 * Residues marked with a * may have inaccurate shift predictions.