NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 426 M 4.6142 8.3001 120.3315 56.2675 33.6463 174.4899 427 A 3.0041 8.7236 122.7435 52.1300 16.3511 173.5356 428 V 3.7070 8.5806 124.2613 62.8105 32.8494 173.3392 429 I 4.2307 8.2326 129.4603 60.9478 37.4399 175.4206 430 T 4.7050 8.0942 115.0353 58.7293 71.5300 172.5754 431 P 3.9107 0.0000 0.0000 64.7098 31.9524 176.6631 432 Q 4.5028 7.9663 116.0051 53.8112 29.2934 174.2502 433 G 4.0954 7.7288 105.7944 44.1749 0.0000 172.0652 434 V 4.5806 8.2972 120.3937 61.3174 32.3636 175.6995 435 T 4.4846 8.7090 118.1680 60.5460 71.2008 173.6458 436 N 4.5219 8.6137 115.5736 53.4988 35.7468 175.7958 437 W 5.6430 7.8190 126.6570 56.0880 31.9741 173.9089 438 T 4.3689 8.9111 116.4737 59.9331 71.4305 174.9351 439 Y 3.7170 8.2772 121.5517 60.9789 38.8416 178.1834 440 Q 3.7937 7.8859 118.2891 58.8591 28.9486 178.5640 441 E 3.7472 7.7609 119.5850 59.0206 29.4490 179.0259 442 L 3.1922 6.7119 120.3833 57.8051 41.9447 178.6036 443 E 3.6303 7.6997 119.1896 59.2071 29.5091 178.7075 444 A 3.9394 7.6298 120.2896 55.3143 18.2754 179.8212 445 T 3.8636 7.7545 114.1510 66.8454 68.5082 176.3944 446 H 4.0432 8.6417 120.6007 59.4944 29.9442 177.2808 447 Q 3.9614 8.4396 119.8866 58.9042 28.4256 178.8051 448 A 3.9869 8.0916 121.7338 55.0837 18.3585 179.5082 449 L 3.8992 8.0887 117.8207 58.3045 41.6448 179.9061 450 T 4.0324 7.9829 115.5204 66.8382 68.2210 176.7172 451 R 3.9661 7.8922 119.0418 59.0956 30.1752 177.5484 452 E 4.3261 8.1942 116.3304 56.6457 29.8407 177.2867 453 G 3.7684 8.2354 108.2070 45.5064 0.0000 172.4066 454 Y 5.2008 7.8348 115.9920 55.9795 40.6925 175.5147 455 V 4.5841 8.8289 121.1150 60.8542 35.0058 174.5448 456 F 3.8781 9.0428 130.3385 58.4367 39.3428 174.8691 457 V 3.9216 8.8412 117.8345 59.7731 33.8193 175.8456 458 G 3.7457 5.3800 109.4042 44.8522 0.0000 170.3607 459 Y 5.1354 8.3416 117.7726 57.2219 40.0203 174.7065 460 H 5.1099 9.5628 123.1232 54.4622 32.5988 172.4485 461 G 4.4500 8.6908 113.2031 45.6046 0.0000 172.2634 462 T 5.0143 8.7070 117.3755 61.6396 71.7398 172.3159 463 N 4.9910 8.7333 120.0294 52.2939 38.1968 175.7050 464 H 4.3113 8.7075 114.6508 58.3355 28.6340 177.9960 465 V 3.5227 7.5855 120.7086 65.9452 31.5848 177.6429 466 A 4.0391 8.5960 120.5430 55.0258 18.0892 179.4178 467 A 3.9923 8.1949 119.3981 55.4095 18.4169 179.6256 468 Q 3.8843 7.8412 117.8950 59.5741 29.0987 178.5018 469 T 3.8557 7.7844 116.2802 66.8215 68.2907 176.6369 470 I 3.7528 7.7319 120.3820 64.3861 37.2135 178.3140 471 V 3.8682 7.8003 118.1224 65.9442 31.3551 177.5661 472 N 4.4407 8.1948 115.4517 54.1945 38.8564 175.4485 473 R 4.2964 7.2130 114.3155 55.5228 33.8490 173.7925 474 I 4.0828 8.6057 126.4865 60.9794 37.7473 175.2026 475 A 4.6558 8.2052 126.9418 49.4462 22.1792 173.7762 476 P 2.0000 0.0000 0.0000 61.4622 31.2618 176.3534 477 V 3.3077 6.3723 115.9585 63.8562 32.2281 176.8080 *487 E 4.4917 8.2152 120.1562 56.5142 32.0587 178.3722 488 K 3.8182 8.1209 117.4538 58.7827 32.1728 178.0528 489 W 4.7912 8.0976 115.8379 56.1514 29.3370 176.3649 490 G 3.9821 8.1257 108.3395 44.8313 0.0000 174.6147 491 G 2.7463 7.8526 108.4631 44.7398 0.0000 170.4348 492 L 4.2960 6.8031 122.0489 53.6779 43.3547 175.4021 493 Y 4.9232 8.7304 124.2774 57.0724 39.3609 175.2374 494 V 4.9757 8.9219 116.0001 59.7707 36.9442 174.1147 495 A 5.1348 9.0442 122.4834 50.8333 22.0363 177.7224 496 T 4.0865 8.9404 111.0293 63.7367 69.8521 174.2463 497 H 4.7175 8.2934 122.5524 54.6617 30.1356 174.9855 498 A 3.8792 8.7028 130.0816 55.3030 18.2104 178.3810 499 E 3.7696 7.9218 117.1933 59.3916 29.3211 179.1496 500 V 3.6401 7.7325 117.1743 66.0971 31.9541 177.6088 501 A 4.3646 8.1182 120.0104 55.5217 18.3115 178.8893 502 H 4.2012 8.6515 117.1195 59.1860 29.6359 177.6169 503 G 3.5289 7.8714 106.4927 47.1120 0.0000 174.1355 504 Y 4.5219 7.9798 116.6021 57.3202 39.8522 175.6117 505 A 4.8589 7.6608 126.5436 49.3578 17.3372 176.4933 506 R 4.7847 7.1061 115.4167 54.3127 32.0649 175.8525 507 I 3.9063 8.2468 120.6779 61.8745 37.5669 176.8811 508 K 4.6593 8.7052 122.0625 56.3588 33.7930 176.1129 509 E 4.8908 7.9888 117.3927 54.5739 33.4728 175.0790 510 G 3.7947 8.7925 111.0545 44.4939 0.0000 173.5698 511 T 4.3765 8.8221 110.5346 60.9594 69.4421 175.1532 512 G 3.8936 8.0593 112.9715 44.6223 0.0000 172.7741 513 E 3.8827 8.6049 118.1784 58.0545 29.7196 177.0136 514 Y 3.5531 8.9160 119.1566 59.0792 35.2582 171.2973 515 G 3.9895 8.0345 106.5269 45.3669 0.0000 174.4729 516 L 4.1332 7.8570 120.6341 53.6745 42.2428 174.9223 517 P 4.5397 0.0000 0.0000 62.3812 32.0765 176.9238 518 T 4.1290 8.3543 111.8191 61.1920 70.9327 175.5093 519 R 3.8179 8.4245 120.1774 59.5144 30.1664 177.9819 520 A 3.9846 7.9939 120.0237 55.4205 18.1345 179.3532 521 E 3.9475 7.8906 115.8029 59.4406 29.5522 179.4680 522 R 4.1161 8.0719 117.7006 59.1805 30.3088 178.2017 523 D 4.6352 8.0807 115.5924 54.1209 41.4234 176.7856 524 A 4.3741 7.1446 121.9407 52.2335 19.0802 176.6322 525 R 4.8601 8.5081 118.4994 54.3851 33.6188 177.0169 526 G 4.0422 8.7964 110.0646 45.8517 0.0000 171.8994 527 V 4.9416 8.7610 118.8765 61.3313 35.1388 174.8699 528 M 4.8855 8.7945 127.0046 54.4999 33.3946 175.1451 529 L 5.3257 9.3181 124.3035 53.2194 45.3840 175.5395 530 R 4.9877 9.3941 120.7678 54.6668 32.5835 175.2527 531 V 5.0130 8.5322 124.1312 61.3943 34.1252 173.9733 532 Y 5.2940 9.2929 124.8078 56.1515 41.9019 174.5150 533 I 5.0194 8.4800 115.8861 58.1760 41.3571 173.4066 534 P 4.3650 0.0000 0.0000 62.3403 32.1341 177.6166 535 R 3.7574 8.6537 122.0093 59.7012 29.9825 179.0053 536 A 4.0208 7.8504 119.6239 54.8648 18.3951 179.2742 537 S 4.2205 8.0784 113.4127 60.8155 62.6018 176.3591 538 L 3.9133 7.5240 121.3642 57.2961 41.2829 178.4091 539 E 4.0211 7.8609 118.7046 58.2454 29.7977 177.1019 540 R 4.0257 7.9883 118.1383 55.7909 31.5198 175.8244 541 F 4.6721 7.6696 122.8112 56.5806 40.7038 173.3709 542 Y 4.9413 8.1212 123.1141 56.2473 40.3362 174.5063 543 R 4.9647 8.5261 120.5018 55.0603 33.2687 174.0663 544 T 4.8708 9.0019 118.7457 60.4427 70.6918 174.4324 545 N 4.5816 8.9801 122.8154 55.2003 39.1821 175.8848 546 T 4.0779 7.6118 116.2371 62.1689 69.1634 172.7107 547 P 4.3828 0.0000 0.0000 63.1748 32.1149 177.2231 548 L 4.0166 8.7191 123.0490 57.8931 41.3839 179.6959 549 E 3.7228 8.0391 116.5666 58.2217 29.2082 177.6800 550 N 5.0446 8.0284 115.6818 52.7311 39.3253 174.5915 551 A 4.6550 7.8190 122.6234 51.8063 19.9479 178.4150 552 E 3.8343 8.4787 119.8761 59.9907 29.5126 178.5590 553 E 3.8318 8.0901 118.6343 59.4668 29.7783 178.0335 554 H 4.0617 8.0760 117.6425 59.3302 29.9828 176.9877 555 I 2.9117 7.6821 122.0804 64.3998 36.8424 178.5893 556 T 3.9038 7.7043 111.8956 64.3146 68.2461 176.6024 557 Q 3.9130 7.5532 119.8215 58.5149 28.7781 178.3968 558 V 3.5923 7.4734 118.7888 65.6988 31.7097 177.6341 559 I 3.9648 7.5790 110.5151 61.1897 37.8324 176.7946 560 G 3.8674 9.2716 108.8093 45.5471 0.0000 172.3231 561 H 4.6506 7.1303 113.3632 54.0496 30.8322 173.2449 562 S 4.1637 8.3679 114.8311 57.6593 63.5273 174.1428 563 L 3.9502 7.9590 121.4256 54.1228 41.8497 175.5347 564 P 4.8823 0.0000 0.0000 61.0699 32.3712 176.0540 565 L 4.3079 8.1143 118.8389 55.5998 43.3340 175.8453 566 R 4.5223 9.1681 119.1578 56.6229 29.5590 178.5620 567 N 5.0868 8.9556 124.2082 53.0818 37.5761 172.3636 568 E 5.1360 7.5292 118.9925 55.1032 35.3048 175.6013 569 A 5.0931 8.9024 122.0136 50.1908 22.9913 174.9267 570 F 4.7425 8.9495 121.2235 56.6194 43.1234 173.7330 571 T 5.0214 8.2504 121.7765 61.8165 71.8658 173.4900 572 G 4.3163 8.3330 110.7322 44.9830 0.0000 170.5414 573 P 4.9667 0.0000 0.0000 62.8890 31.9009 177.5922 574 E 4.4915 9.5586 121.7204 57.1227 30.4738 176.0292 575 S 4.7318 7.8139 113.1100 58.0789 65.3216 173.8088 576 A 4.0162 8.5455 123.6494 53.5803 17.7607 177.4905 577 G 3.8258 8.8842 110.2948 46.5269 0.0000 173.0003 578 G 4.0294 7.8091 107.4481 44.5521 0.0000 173.7346 579 E 4.4165 8.5281 118.9513 56.0329 30.8058 176.7414 580 D 5.1475 8.6171 121.0254 54.5336 41.4073 175.5267 581 E 4.9516 9.2260 118.6195 54.9299 33.8241 174.5450 582 T 4.8766 8.8887 116.5893 61.7957 72.3031 173.1761 583 V 3.6272 8.5972 127.1586 61.2128 33.3060 174.4949 584 I 4.3446 8.2352 130.4724 59.3759 38.5787 175.8920 585 G 4.0000 8.6912 115.3455 45.5166 0.0000 174.1959 586 W 4.5777 8.8340 122.1798 59.9018 28.9439 178.6779 587 D 4.5496 8.2505 117.1123 56.9154 40.5493 177.9098 588 M 4.3704 8.0702 118.4574 58.3590 32.5560 177.8144 589 A 4.1125 8.5160 121.5355 54.9503 18.2988 179.2784 590 I 4.0682 7.9666 110.3500 63.3489 37.7319 176.4361 591 H 4.7358 7.9480 116.2086 55.6769 29.2312 174.6786 592 A 4.7836 7.8437 122.0597 51.6395 19.6890 177.1460 593 V 4.6445 8.8273 111.1138 59.6679 36.2443 174.9342 594 A 5.5234 8.5031 123.0583 50.3768 22.2674 175.3500 595 I 4.7131 8.7034 113.3027 58.2269 41.6190 173.0847 596 P 4.8963 0.0000 0.0000 62.7072 31.9090 176.3934 597 S 4.9088 9.2221 119.1983 58.4836 63.3098 173.9711 598 T 4.5203 9.6260 111.6838 61.7443 69.1648 175.1793 599 I 3.8984 8.0007 125.1852 60.5362 37.3876 174.3663 600 P 4.4243 0.0000 0.0000 62.4003 31.7870 176.2903 601 G 4.4182 8.3195 108.1892 45.9106 0.0000 172.4133 602 N 4.9789 8.4229 118.3720 52.8223 41.7577 173.0329 603 A 4.9838 8.1912 118.4430 50.8572 22.2681 176.3017 604 Y 4.2669 8.9132 119.3421 59.7845 38.7947 176.2145 605 E 4.1960 8.0522 120.8554 54.3868 29.9590 175.4381 606 E 4.4597 8.4924 126.1080 56.4646 30.2367 176.2939 607 L 4.8342 8.7105 120.8696 52.4745 45.2701 176.6036 608 A 4.1605 8.3191 123.6172 51.6080 19.0626 177.7657 609 I 3.3642 7.9562 121.7878 60.9324 38.8623 176.1561 610 D 4.5583 8.3098 125.2685 53.4167 41.1434 176.8770 611 E 4.0072 8.5394 128.0092 58.8678 29.5206 178.7752 612 E 3.8516 8.1963 119.2512 59.1823 29.7633 178.7142 613 A 3.9382 8.0947 120.4105 54.8380 18.2774 179.5188 614 V 3.4612 7.4615 115.6425 66.1907 31.9204 177.7702 615 A 4.0853 8.1657 120.6448 55.0870 17.9807 179.4010 616 K 3.5952 7.9239 117.1329 59.2752 32.5886 177.9550 617 E 4.3854 7.8996 116.1181 56.5715 29.7203 177.8749 618 Q 3.9994 7.7902 121.6358 59.4243 28.9198 178.6044 619 S 4.2369 8.0626 113.1346 60.3392 63.1193 175.1372 620 I 4.3036 7.1610 114.4175 60.4096 37.6808 175.5867 621 S 3.8384 7.7401 115.8027 58.3690 63.9723 174.6068 622 T 4.1946 7.9266 109.3940 61.0077 69.3418 174.1071 623 K 4.1182 8.5101 122.8283 55.8861 32.6159 175.5256 624 P 4.3183 0.0000 0.0000 61.4731 32.0332 174.3493 625 P 4.2275 0.0000 0.0000 62.8611 31.8033 175.5466 626 Y 5.1134 8.1109 118.4148 56.1513 41.5375 175.6323 627 K 4.4089 9.0276 122.6079 55.8006 33.2281 175.9429 628 E 4.9328 8.6370 126.3533 54.6769 32.6232 174.9818 629 R 3.9941 9.0301 125.9441 56.5305 31.0977 177.2733 630 K 3.9010 8.9599 123.2093 59.8217 32.2503 178.3932 631 D 4.5315 8.0514 116.2752 56.5052 40.8332 176.7948 632 E 4.3066 8.1957 117.7820 57.0204 30.1273 176.4025 633 L 4.1897 7.6114 123.8598 54.9735 41.5770 176.6994 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 426 M 8.30 4.61 0.00 2.41 2.18 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.68 0.00 427 A 8.72 3.00 -0.09 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 0.00 428 V 8.58 3.71 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 1.03 0.00 0.00 0.97 0.00 0.00 429 I 8.23 4.23 2.03 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.57 0.94 0.00 0.00 430 T 8.09 4.71 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 1.27 0.00 0.00 431 P 0.00 3.91 0.00 2.11 1.90 0.00 3.50 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 432 Q 7.97 4.50 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.18 0.00 0.00 0.00 0.00 0.00 2.39 2.24 0.00 433 G 7.73 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 0.00 434 V 8.30 4.58 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 0.85 0.00 0.00 0.96 0.00 0.00 435 T 8.71 4.48 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 1.24 0.00 0.00 436 N 8.61 4.52 0.00 3.07 2.99 0.00 0.00 6.21 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 437 W 7.82 5.64 0.00 3.31 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 0.00 438 T 8.91 4.37 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 1.21 0.00 0.00 439 Y 8.28 3.72 0.00 3.09 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 0.00 440 Q 7.89 3.79 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 441 E 7.76 3.75 0.00 1.67 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.20 0.00 442 L 6.71 3.19 0.00 0.70 1.07 1.14 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 0.00 443 E 7.70 3.63 0.00 1.16 1.55 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 2.22 2.25 0.00 444 A 7.63 3.94 1.27 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 0.00 0.00 445 T 7.75 3.86 4.54 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 446 H 8.64 4.04 0.00 3.25 3.48 0.00 5.79 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 0.00 447 Q 8.44 3.96 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 448 A 8.09 3.99 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 0.00 449 L 8.09 3.90 0.00 1.53 1.44 -0.19 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 450 T 7.98 4.03 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 1.22 0.00 0.00 451 R 7.89 3.97 0.00 1.81 2.11 0.00 3.25 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 452 E 8.19 4.33 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 453 G 8.24 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 0.00 0.00 0.00 454 Y 7.83 5.20 0.00 2.98 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 0.00 455 V 8.83 4.58 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 0.83 0.00 0.00 0.90 0.00 0.00 456 F 9.04 3.88 0.00 2.48 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 0.00 457 V 8.84 3.92 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 0.81 0.00 0.00 458 G 5.38 3.75 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 0.00 0.00 0.00 459 Y 8.34 5.14 0.00 3.13 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 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8.53 4.96 0.00 1.08 1.64 0.00 2.21 0.00 0.00 2.84 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.28 0.00 544 T 9.00 4.87 4.58 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 1.38 0.00 0.00 545 N 8.98 4.58 0.00 2.73 2.85 0.00 0.00 7.00 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 546 T 7.61 4.08 4.22 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 1.19 0.00 0.00 547 P 0.00 4.38 0.00 2.13 1.97 0.00 3.59 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 2.10 2.12 0.00 548 L 8.72 4.02 0.00 1.53 1.63 1.03 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 549 E 8.04 3.72 0.00 2.01 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 2.26 2.32 0.00 550 N 8.03 5.04 0.00 2.77 2.84 0.00 0.00 6.76 7.65 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 0.00 551 A 7.82 4.66 1.32 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 0.00 552 E 8.48 3.83 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.21 0.00 553 E 8.09 3.83 0.00 2.06 1.91 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 2.35 2.34 0.00 554 H 8.08 4.06 0.00 3.23 3.36 0.00 5.93 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 0.00 555 I 7.68 2.91 1.56 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.21 0.41 0.00 0.00 556 T 7.70 3.90 4.19 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 0.00 0.00 1.12 0.00 0.00 557 Q 7.55 3.91 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.99 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 558 V 7.47 3.59 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.80 0.00 0.00 559 I 7.58 3.96 1.78 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.31 0.91 0.00 0.00 560 G 9.27 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 0.00 0.00 0.00 561 H 7.13 4.65 0.00 3.30 3.37 0.00 5.66 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 562 S 8.37 4.16 0.00 3.95 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 563 L 7.96 3.95 0.00 1.38 1.48 -0.15 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 564 P 0.00 4.88 0.00 2.19 2.26 0.00 3.37 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 565 L 8.11 4.31 0.00 1.59 1.66 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 566 R 9.17 4.52 0.00 1.98 0.99 0.00 2.94 0.00 0.00 2.67 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 567 N 8.96 5.09 0.00 2.74 2.81 0.00 0.00 6.62 7.65 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 0.00 568 E 7.53 5.14 0.00 2.08 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 2.55 2.55 0.00 569 A 8.90 5.09 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 0.00 570 F 8.95 4.74 0.00 3.11 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 0.00 571 T 8.25 5.02 3.83 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 0.99 0.00 0.00 572 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 0.00 573 P 0.00 4.97 0.00 2.12 2.13 0.00 3.69 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.08 0.00 574 E 9.56 4.49 0.00 1.97 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 2.56 2.11 0.00 575 S 7.81 4.73 0.00 3.94 3.95 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 0.00 576 A 8.55 4.02 1.26 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 0.00 0.00 577 G 8.88 3.83 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 0.00 0.00 0.00 578 G 7.81 4.03 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 0.00 0.00 0.00 579 E 8.53 4.42 0.00 1.95 1.93 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 2.40 2.31 0.00 580 D 8.62 5.15 0.00 2.60 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 581 E 9.23 4.95 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 582 T 8.89 4.88 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 1.06 0.00 0.00 583 V 8.60 3.63 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 0.65 0.00 0.00 0.57 0.00 0.00 584 I 8.24 4.34 1.75 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.54 0.94 0.00 0.00 585 G 8.69 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 586 W 8.83 4.58 0.00 3.46 3.23 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 0.00 587 D 8.25 4.55 0.00 2.83 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 0.00 588 M 8.07 4.37 0.00 2.24 2.23 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.69 0.00 589 A 8.52 4.11 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 0.00 590 I 7.97 4.07 1.85 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 1.71 0.31 1.06 0.00 0.00 591 H 7.95 4.74 0.00 3.37 3.45 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 592 A 7.84 4.78 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 0.00 593 V 8.83 4.64 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.26 0.00 0.00 594 A 8.50 5.52 1.24 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 0.00 0.00 0.00 595 I 8.70 4.71 1.90 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.11 0.84 0.00 0.00 596 P 0.00 4.90 0.00 1.66 2.00 0.00 3.18 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.94 0.00 597 S 9.22 4.91 0.00 4.30 4.21 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 0.00 598 T 9.63 4.52 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 1.09 0.00 0.00 599 I 8.00 3.90 1.86 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.58 0.85 0.00 0.00 600 P 0.00 4.42 0.00 2.08 2.03 0.00 3.69 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 2.05 2.13 0.00 601 G 8.32 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 602 N 8.42 4.98 0.00 2.51 2.69 0.00 0.00 7.27 7.87 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 0.00 603 A 8.19 4.98 1.32 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 0.00 604 Y 8.91 4.27 0.00 2.92 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 0.00 605 E 8.05 4.20 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 606 E 8.49 4.46 0.00 1.93 1.82 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 2.45 2.21 0.00 607 L 8.71 4.83 0.00 1.60 1.54 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 608 A 8.32 4.16 1.22 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 0.00 609 I 7.96 3.36 1.62 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.53 0.85 0.00 0.00 610 D 8.31 4.56 0.00 2.73 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.54 4.01 0.00 1.99 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 2.36 2.28 0.00 612 E 8.20 3.85 0.00 2.04 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 2.26 2.28 0.00 613 A 8.09 3.94 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 0.00 614 V 7.46 3.46 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.87 0.00 0.00 615 A 8.17 4.09 1.33 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 0.00 0.00 616 K 7.92 3.60 0.00 1.66 1.81 0.00 1.26 0.00 0.00 1.45 0.00 0.00 2.92 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.02 0.31 7.81 617 E 7.90 4.39 0.00 2.17 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 2.55 2.52 0.00 618 Q 7.79 4.00 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 619 S 8.06 4.24 0.00 4.06 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 0.00 620 I 7.16 4.30 1.25 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.48 0.88 0.00 0.00 621 S 7.74 3.84 0.00 3.80 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 0.00 622 T 7.93 4.19 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 1.23 0.00 0.00 623 K 8.51 4.12 0.00 1.85 1.92 0.00 1.99 0.00 0.00 1.90 0.00 0.00 3.11 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.62 1.56 7.81 624 P 0.00 4.32 0.00 1.66 1.87 0.00 3.71 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.79 0.00 625 P 0.00 4.23 0.00 1.94 1.94 0.00 3.36 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 1.89 2.00 0.00 626 Y 8.11 5.11 0.00 2.88 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 0.00 627 K 9.03 4.41 0.00 1.51 1.83 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.45 7.81 628 E 8.64 4.93 0.00 2.06 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 0.00 2.24 2.47 0.00 629 R 9.03 3.99 0.00 1.96 1.90 0.00 3.23 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.79 0.00 630 K 8.96 3.90 0.00 1.81 1.84 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.50 7.81 631 D 8.05 4.53 0.00 2.72 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 632 E 8.20 4.31 0.00 2.12 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 2.31 2.29 0.00 633 L 7.61 4.19 0.00 1.77 1.61 0.95 0.91 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 * Residues marked with a * may have inaccurate shift predictions.