NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 442 I 4.1198 8.0249 114.2504 60.8034 38.2287 173.2967 443 E 4.4671 8.3966 120.4034 57.3441 34.5258 177.1870 444 A 4.2546 8.6717 126.5120 52.7621 18.1575 180.3014 445 V 3.7231 8.7064 123.8808 63.1134 32.6964 175.2473 446 G 4.2648 8.2771 126.0525 45.7460 0.0000 174.4234 447 K 5.1694 8.8359 124.2599 56.9602 31.4099 178.5386 448 K 4.1463 7.9928 122.8811 58.6194 32.1723 177.9363 449 L 3.8976 7.9435 118.3211 56.1605 42.4933 176.7642 450 H 4.3152 8.2181 117.5559 59.1580 30.4788 176.6476 451 E 3.9618 8.1509 119.5880 59.1186 29.0903 178.1471 452 Y 4.2566 7.4774 118.2561 59.5014 38.5666 176.4267 453 N 4.2210 8.1023 118.1633 56.6011 39.2229 177.0374 454 T 3.9387 7.5838 116.6052 66.5532 68.7091 176.6876 455 Q 3.9553 7.6912 119.0548 58.8195 28.6200 178.3550 456 F 3.8351 7.6366 120.7707 61.4820 39.2136 177.1400 457 Q 4.0066 7.8853 117.2839 58.1806 28.4121 177.5335 458 E 4.0619 7.8483 119.3012 57.8080 29.7592 177.1585 459 K 4.3847 7.5437 115.9125 57.7718 35.2922 178.1667 460 S 3.8165 7.9349 114.0525 61.0338 62.0474 175.9942 461 R 4.1341 8.3863 121.7200 58.8930 29.9677 177.9253 462 E 3.9632 8.0256 118.5099 58.8681 29.5674 177.8105 463 Y 3.9623 8.3654 120.5039 60.6559 38.9000 177.1346 464 D 4.4708 7.9668 118.3997 57.9789 40.9390 179.6703 465 R 4.0335 8.4082 118.2997 58.8228 30.1382 178.6632 466 L 4.1508 7.9598 120.0986 57.5125 42.0284 178.2631 467 Y 3.9916 8.1192 120.3575 60.4349 38.6952 177.0065 468 E 3.8748 8.2362 120.3781 59.0309 29.7527 178.1453 469 E 3.8709 7.8261 118.1232 59.4815 29.4183 178.2114 470 Y 4.0083 7.4855 117.5536 61.0876 38.9304 178.0215 471 T 3.9137 8.2201 116.8537 66.4988 68.6713 176.3772 472 R 3.8716 8.5307 121.0272 60.1580 30.0771 178.5887 473 T 3.8241 7.9423 115.0018 66.3626 68.3757 176.6763 474 S 3.3037 7.4133 115.1067 61.1095 62.3597 176.1152 475 Q 3.8184 7.8501 120.1703 58.9746 28.5442 177.9615 476 E 3.8206 7.7527 120.0021 59.5202 29.6279 179.0856 477 I 3.5465 7.4704 119.3647 64.6082 37.2192 178.3923 478 Q 3.9450 7.7979 119.9558 59.0049 28.8443 178.0530 479 M 3.9679 8.6278 120.4286 58.4640 31.9466 178.7452 480 K 3.9665 7.9382 118.4534 59.5194 32.3027 179.4065 481 R 3.9501 8.0329 119.2598 59.3940 30.0689 178.4953 482 T 4.7110 8.2632 110.5059 63.6751 68.9049 176.6949 483 A 3.9574 7.8372 124.0173 55.0887 18.2618 179.6707 484 I 4.0340 7.6691 118.6124 64.5846 37.3284 178.4542 485 E 3.8897 7.9168 118.3214 59.1767 29.3678 179.0120 486 A 3.9510 7.9249 120.7721 55.3484 18.4500 179.3771 487 F 4.1614 8.4176 116.3716 61.4330 38.9843 177.1782 488 N 4.2892 8.9332 116.1554 56.8819 38.1541 176.8056 489 E 3.4869 8.4518 121.1447 59.6646 29.9223 179.4161 490 T 4.0167 7.7854 115.3369 66.5997 68.7343 176.3748 491 I 3.8499 8.3461 122.0677 64.8087 37.0495 178.0948 492 K 3.8529 8.6419 119.5277 59.9347 31.6802 178.1839 493 I 4.0801 7.9272 119.8159 63.7269 37.0237 177.6708 494 F 4.1797 8.1710 117.2041 58.9484 38.8564 177.6190 495 E 4.0205 8.0843 118.8037 59.3265 29.5054 178.3453 496 E 4.0490 7.4587 116.3351 58.4778 29.6678 178.5112 497 Q 4.3644 8.0576 120.7573 57.4921 29.6999 177.0026 498 C 4.2945 7.5755 112.3215 60.4408 29.8103 174.1335 499 Q 4.4465 7.8590 117.9895 56.4177 28.3922 176.6010 500 T 4.0471 8.1763 116.8568 65.8512 69.0368 175.9823 501 Q 4.5019 7.8608 118.2769 56.4888 30.1770 176.4081 502 E 4.1673 8.3944 117.8533 58.5315 29.2386 177.9499 503 R 4.1803 9.1523 126.0768 58.6771 31.1116 176.8396 504 Y 4.4075 7.6056 112.3376 58.5660 37.6561 176.7198 505 S 4.8033 7.9619 113.4071 59.3731 64.6015 176.1994 506 K 4.2678 9.0342 123.2152 59.1418 32.0289 178.8140 507 E 4.3070 7.3158 116.6700 56.0372 28.4720 177.0805 508 Y 4.5863 8.5727 115.9006 59.2744 43.8021 175.4800 509 I 4.0311 7.7327 120.4996 60.3061 38.4417 175.1294 *521 I 4.2822 7.5728 130.5848 61.1575 38.0264 179.4589 522 Q 4.1474 8.6917 130.0835 59.1765 28.8228 177.4050 523 R 4.4479 7.6265 119.5970 56.1559 29.3803 178.2841 524 I 4.1053 8.1689 120.2133 60.3310 35.5645 174.5018 525 M 4.5361 7.1656 119.1053 56.0255 35.2982 176.0652 526 H 4.1738 8.3982 120.2459 58.5824 30.5044 176.5639 527 N 4.3575 8.2344 118.7324 57.3748 38.5955 175.9157 528 Y 4.0853 8.0807 120.5673 60.6993 37.3749 177.4289 529 D 4.4002 8.2983 119.5525 56.5821 40.8077 177.8530 530 K 4.3075 7.6029 118.0247 57.8091 32.7546 177.8034 531 L 3.8216 7.9233 120.7695 58.2499 41.8816 179.3372 532 K 3.7642 7.4606 116.9612 59.2840 32.0033 179.2807 533 S 4.0993 7.3140 111.1989 60.6985 62.2399 176.2585 534 R 3.7563 8.1262 122.1947 59.2684 29.7828 178.0047 535 I 3.4973 6.9175 119.2591 64.6679 37.1031 178.0166 536 S 4.0626 7.7767 115.2520 62.1137 62.5501 176.9923 537 E 3.9953 7.6208 119.9342 59.0216 29.0327 179.7040 538 I 3.8734 7.4896 120.0061 64.4028 37.4721 178.2380 539 I 3.6500 7.8553 120.7341 64.4256 36.8847 177.9078 540 D 4.4082 8.0166 118.9876 56.2593 40.6833 179.1487 541 S 3.9862 7.4210 116.1330 61.5195 62.9223 176.4437 542 R 2.9584 7.3974 121.6923 58.8745 29.5552 178.2897 543 R 3.9143 7.7671 118.4594 59.6301 30.1834 178.6187 544 R 3.8516 7.8173 117.5871 59.0541 30.0864 178.5858 545 L 3.9240 7.9860 120.2393 58.3319 41.9468 178.5538 546 E 3.9224 8.4906 118.9399 59.7548 29.0640 179.5786 547 E 3.9788 7.9805 116.8881 59.4343 29.4921 178.8005 548 D 4.4266 8.0509 119.4820 56.7387 40.7648 178.5281 549 L 3.9533 7.7052 121.0936 58.1431 42.3106 178.9108 550 K 4.0639 7.8066 119.1316 58.5122 32.0971 178.7744 551 K 3.9222 7.6735 119.2550 59.8422 32.2136 178.8203 552 Q 4.2589 7.8894 117.9191 58.4385 28.4176 178.7469 553 A 3.9561 8.0681 121.9691 55.2636 18.4415 179.3326 554 A 3.8391 8.3810 119.6228 55.3488 18.2170 179.6159 555 E 3.8702 8.5883 118.0692 59.5836 29.7928 178.1563 556 Y 4.1809 8.3188 119.9064 61.1056 38.7371 178.5212 557 R 3.8213 8.8141 119.2405 58.9749 30.0952 178.7777 558 E 3.8974 7.8721 119.3207 59.4968 29.2490 179.0170 559 I 3.7868 8.0034 119.9969 64.2074 36.9902 178.0788 560 D 4.3195 8.1573 119.1838 57.2230 40.8670 177.6770 561 K 3.8009 8.0101 119.1833 60.1179 32.3430 178.6909 562 R 4.0506 8.2232 117.8584 59.1956 30.0694 179.1341 563 M 4.1441 7.7110 117.8361 57.8307 31.8247 176.9737 564 N 5.1098 8.1180 115.3769 53.7498 40.0061 176.1397 565 S 4.5370 7.8257 113.7644 58.1217 65.6150 175.8118 566 I 3.8964 7.9757 121.4530 64.3019 36.9706 177.9346 567 K 3.9799 7.9797 120.2228 59.1456 32.1229 176.2515 568 P 4.2177 0.0000 0.0000 65.8254 30.9188 177.6971 569 D 4.2592 7.9847 117.4313 57.0346 41.0049 177.8084 570 L 3.6741 8.2025 120.0098 58.0798 42.3652 178.5762 571 I 4.0310 7.7308 119.5088 63.8571 36.9860 178.1611 572 Q 4.1619 8.5198 118.4709 57.8686 28.6031 177.4093 573 L 4.7438 7.3714 117.4051 54.9840 41.9519 178.4579 574 R 3.9544 7.9235 119.6087 59.2477 30.2007 178.7549 575 K 4.1542 7.9373 117.1141 58.8248 32.0093 179.3477 576 T 4.0094 8.0248 116.1741 66.3813 68.0559 176.3025 577 R 3.7751 7.6003 119.5588 59.5041 30.2794 177.7565 578 D 4.4663 7.8489 116.0584 57.4382 41.3794 177.5770 579 Q 4.0756 8.5459 118.3177 58.6097 30.1586 177.4031 580 Y 4.4205 7.3614 118.9367 57.3083 36.3173 175.1223 581 L 4.4155 7.8739 123.8593 57.4407 43.6575 177.3498 582 M 4.4925 7.8340 118.8488 52.9405 30.7396 176.6817 583 W 4.6273 7.7342 132.8344 55.4921 31.9143 174.1782 *593 K 4.0775 7.6869 116.7386 56.5229 33.5171 176.0578 594 L 4.0405 8.2417 120.8300 55.2545 42.3264 173.2300 595 N 4.2708 9.1287 124.3031 53.5241 36.2332 173.0788 596 E 4.8194 8.5000 120.8978 56.8138 35.6631 176.1017 597 W 4.6247 8.3439 127.7371 59.9656 31.2330 177.1904 598 L 4.0585 8.3645 117.8502 57.8530 40.5997 178.1421 599 G 3.7987 7.5280 103.7153 49.0046 0.0000 172.8579 600 N 4.6136 7.7181 122.1689 52.6954 39.7264 174.6347 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 442 I 8.02 4.12 1.91 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 1.23 1.03 0.94 0.00 0.00 443 E 8.40 4.47 0.00 2.22 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 2.18 2.32 0.00 444 A 8.67 4.25 1.10 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 0.00 445 V 8.71 3.72 1.66 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 0.64 0.00 0.00 0.68 0.00 0.00 446 G 8.28 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 0.00 0.00 0.00 0.00 447 K 8.84 5.17 0.00 1.99 2.18 0.00 1.71 0.00 0.00 2.00 0.00 0.00 2.13 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.43 1.35 7.81 448 K 7.99 4.15 0.00 1.72 1.78 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.53 7.81 449 L 7.94 3.90 0.00 1.56 1.44 0.38 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 450 H 8.22 4.32 0.00 2.99 3.55 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 451 E 8.15 3.96 0.00 2.10 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 2.46 2.45 0.00 452 Y 7.48 4.26 0.00 2.78 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 0.00 453 N 8.10 4.22 0.00 2.76 2.70 0.00 0.00 7.04 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 0.00 454 T 7.58 3.94 4.20 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 0.00 0.00 0.00 1.19 0.00 0.00 455 Q 7.69 3.96 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 456 F 7.64 3.84 0.00 2.94 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 0.00 457 Q 7.89 4.01 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 458 E 7.85 4.06 0.00 1.97 2.04 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 2.29 2.30 0.00 459 K 7.54 4.38 0.00 1.77 1.86 0.00 1.41 0.00 0.00 1.62 0.00 0.00 2.72 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.24 0.98 7.81 460 S 7.93 3.82 0.00 3.49 3.80 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 0.00 461 R 8.39 4.13 0.00 1.86 2.08 0.00 3.31 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 462 E 8.03 3.96 0.00 2.22 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 2.37 2.36 0.00 463 Y 8.37 3.96 0.00 3.07 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 0.00 464 D 7.97 4.47 0.00 3.11 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 0.00 465 R 8.41 4.03 0.00 1.98 1.98 0.00 3.12 0.00 0.00 3.10 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 466 L 7.96 4.15 0.00 2.08 1.64 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 467 Y 8.12 3.99 0.00 2.55 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 468 E 8.24 3.87 0.00 2.17 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 469 E 7.83 3.87 0.00 2.30 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 2.31 2.48 0.00 470 Y 7.49 4.01 0.00 3.05 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 0.00 471 T 8.22 3.91 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 0.00 472 R 8.53 3.87 0.00 1.84 2.14 0.00 3.09 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 473 T 7.94 3.82 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 1.23 0.00 0.00 474 S 7.41 3.30 0.00 3.44 3.72 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 0.00 0.00 0.00 0.00 475 Q 7.85 3.82 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.50 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 476 E 7.75 3.82 0.00 2.17 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 2.42 2.39 0.00 477 I 7.47 3.55 1.77 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.80 0.76 0.00 0.00 478 Q 7.80 3.94 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 479 M 8.63 3.97 0.00 2.02 2.24 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.55 0.00 480 K 7.94 3.97 0.00 1.99 1.87 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.60 7.81 481 R 8.03 3.95 0.00 2.00 2.02 0.00 3.05 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 482 T 8.26 4.71 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 0.00 483 A 7.84 3.96 1.42 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 0.00 484 I 7.67 4.03 2.07 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 1.61 1.12 1.01 0.00 0.00 485 E 7.92 3.89 0.00 2.27 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 2.34 2.35 0.00 486 A 7.92 3.95 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 0.00 487 F 8.42 4.16 0.00 3.16 3.04 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 0.00 488 N 8.93 4.29 0.00 2.91 2.87 0.00 0.00 6.72 6.84 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 0.00 489 E 8.45 3.49 0.00 2.09 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 2.32 2.40 0.00 490 T 7.79 4.02 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 1.45 0.00 0.00 491 I 8.35 3.85 2.12 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 1.47 1.27 0.96 0.00 0.00 492 K 8.64 3.85 0.00 1.79 1.99 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.52 7.81 493 I 7.93 4.08 1.88 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 1.41 0.67 0.51 0.00 0.00 494 F 8.17 4.18 0.00 3.21 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 0.00 495 E 8.08 4.02 0.00 2.00 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 2.62 2.37 0.00 496 E 7.46 4.05 0.00 1.89 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 2.33 2.47 0.00 497 Q 8.06 4.36 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 498 C 7.58 4.29 0.00 3.32 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 0.00 499 Q 7.86 4.45 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 500 T 8.18 4.05 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 501 Q 7.86 4.50 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.93 0.00 0.00 0.00 0.00 0.00 2.57 2.64 0.00 502 E 8.39 4.17 0.00 2.06 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 2.39 2.30 0.00 503 R 9.15 4.18 0.00 1.97 2.05 0.00 3.33 0.00 0.00 3.29 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 504 Y 7.61 4.41 0.00 3.18 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 0.00 505 S 7.96 4.80 0.00 4.07 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 0.00 506 K 9.03 4.27 0.00 1.97 1.86 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.42 7.81 507 E 7.32 4.31 0.00 1.63 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 2.13 2.19 0.00 508 Y 8.57 4.59 0.00 2.83 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 509 I 7.73 4.03 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.76 0.94 0.00 0.00 *521 I 7.57 4.28 1.86 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 1.46 0.65 0.90 0.00 0.00 522 Q 8.69 4.15 0.00 2.19 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 7.30 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 523 R 7.63 4.45 0.00 1.82 1.99 0.00 3.20 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 524 I 8.17 4.11 1.83 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 1.29 0.61 0.87 0.00 0.00 525 M 7.17 4.54 0.00 2.03 1.73 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 526 H 8.40 4.17 0.00 3.33 3.32 0.00 5.93 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 527 N 8.23 4.36 0.00 2.85 2.89 0.00 0.00 6.86 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 528 Y 8.08 4.09 0.00 3.38 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 0.00 529 D 8.30 4.40 0.00 2.80 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 0.00 530 K 7.60 4.31 0.00 1.82 1.97 0.00 1.67 0.00 0.00 1.58 0.00 0.00 3.16 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 1.57 7.81 531 L 7.92 3.82 0.00 1.93 1.80 1.11 0.65 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 0.00 532 K 7.46 3.76 0.00 1.69 1.68 0.00 1.52 0.00 0.00 1.10 0.00 0.00 2.55 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.17 1.03 7.81 533 S 7.31 4.10 0.00 3.94 3.86 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 0.00 0.00 0.00 0.00 534 R 8.13 3.76 0.00 1.77 1.60 0.00 3.10 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.29 0.00 535 I 6.92 3.50 1.94 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 1.44 0.46 0.87 0.00 0.00 536 S 7.78 4.06 0.00 4.06 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 0.00 537 E 7.62 4.00 0.00 2.24 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 2.29 2.30 0.00 538 I 7.49 3.87 1.88 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.77 1.17 0.00 0.00 539 I 7.86 3.65 1.80 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 1.48 0.98 0.85 0.00 0.00 540 D 8.02 4.41 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 0.00 541 S 7.42 3.99 0.00 3.88 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 0.00 542 R 7.40 2.96 0.00 0.83 1.65 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.41 0.00 543 R 7.77 3.91 0.00 2.08 1.99 0.00 3.21 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 544 R 7.82 3.85 0.00 2.12 1.93 0.00 3.18 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 545 L 7.99 3.92 0.00 1.88 1.80 1.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 546 E 8.49 3.92 0.00 2.18 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 2.31 2.31 0.00 547 E 7.98 3.98 0.00 2.14 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 2.54 2.35 0.00 548 D 8.05 4.43 0.00 2.94 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 0.00 549 L 7.71 3.95 0.00 1.86 1.91 0.88 0.46 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 0.00 550 K 7.81 4.06 0.00 1.86 1.78 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.49 7.81 551 K 7.67 3.92 0.00 2.11 1.92 0.00 1.58 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.52 7.81 552 Q 7.89 4.26 0.00 2.32 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 553 A 8.07 3.96 1.39 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 0.00 0.00 554 A 8.38 3.84 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.59 3.87 0.00 2.15 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 2.32 2.39 0.00 556 Y 8.32 4.18 0.00 3.04 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 557 R 8.81 3.82 0.00 1.86 1.96 0.00 3.19 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 558 E 7.87 3.90 0.00 2.20 2.14 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 2.31 2.40 0.00 559 I 8.00 3.79 2.05 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 1.67 1.29 1.06 0.00 0.00 560 D 8.16 4.32 0.00 2.78 2.72 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 0.00 0.00 0.00 0.00 561 K 8.01 3.80 0.00 1.80 2.03 0.00 2.07 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.49 7.81 562 R 8.22 4.05 0.00 1.87 1.96 0.00 3.33 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.81 0.00 563 M 7.71 4.14 0.00 1.96 2.19 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 564 N 8.12 5.11 0.00 2.75 2.81 0.00 0.00 6.73 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 565 S 7.83 4.54 0.00 3.91 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 0.00 566 I 7.98 3.90 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.83 0.88 0.00 0.00 567 K 7.98 3.98 0.00 2.05 1.79 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.45 7.81 568 P 0.00 4.22 0.00 2.28 2.27 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 569 D 7.98 4.26 0.00 2.70 2.76 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 0.00 570 L 8.20 3.67 0.00 1.37 1.77 0.19 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 571 I 7.73 4.03 2.03 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.87 0.90 0.00 0.00 572 Q 8.52 4.16 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 573 L 7.37 4.74 0.00 1.97 1.86 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 574 R 7.92 3.95 0.00 2.12 1.97 0.00 3.31 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.88 0.00 575 K 7.94 4.15 0.00 1.86 2.09 0.00 1.57 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.58 7.81 576 T 8.02 4.01 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 1.08 0.00 0.00 577 R 7.60 3.78 0.00 1.99 2.16 0.00 3.37 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 578 D 7.85 4.47 0.00 2.67 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 0.00 579 Q 8.55 4.08 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.25 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 580 Y 7.36 4.42 0.00 2.88 2.90 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 0.00 581 L 7.87 4.42 0.00 1.86 1.75 0.97 1.06 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 0.00 582 M 7.83 4.49 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 583 W 7.73 4.63 0.00 3.64 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *593 K 7.69 4.08 0.00 1.93 1.84 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.42 7.81 594 L 8.24 4.04 0.00 1.67 1.66 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 595 N 9.13 4.27 0.00 2.89 2.94 0.00 0.00 6.65 7.66 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 0.00 596 E 8.50 4.82 0.00 1.90 1.92 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 2.24 2.32 0.00 597 W 8.34 4.62 0.00 3.25 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 598 L 8.36 4.06 0.00 1.71 1.74 1.03 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 599 G 7.53 3.80 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 0.00 0.00 0.00 600 N 7.72 4.61 0.00 2.70 2.70 0.00 0.00 6.72 7.56 0.00 0.00 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.