NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 464 S 4.3407 8.1776 116.7132 58.5362 65.1005 172.4270 465 T 3.9616 7.6265 111.9645 59.3504 70.3613 171.4051 466 Y 4.7629 8.0361 124.9352 55.3075 40.4445 175.2897 467 P 4.7987 0.0000 0.0000 61.3147 32.2719 174.3451 468 P 4.7972 0.0000 0.0000 62.4396 32.2852 176.0477 469 T 4.3339 8.3157 109.2789 60.3977 69.7188 172.7662 470 P 4.5393 0.0000 0.0000 62.0084 32.0009 174.5320 471 P 5.1255 0.0000 0.0000 62.5449 32.8318 174.8809 472 N 5.0396 9.1310 119.6336 51.4826 39.8086 173.7028 473 V 4.3824 8.2749 120.9665 61.3770 33.4643 174.8322 474 T 4.7401 7.5835 115.5235 59.7206 72.3680 173.0068 475 R 4.2233 8.8809 124.6309 56.3627 30.9151 175.8313 476 L 4.4743 8.3828 124.8656 56.0182 43.0191 176.0566 477 S 4.5338 7.2370 110.9647 57.6175 65.0547 174.8466 478 D 4.7214 8.6821 118.6027 55.1659 39.3373 176.2032 479 E 5.0708 8.5393 118.1966 54.8618 31.9287 175.1845 480 S 4.9598 8.0065 113.4621 57.1246 66.7424 173.1722 481 V 4.5903 8.1421 115.7489 59.2801 35.8201 174.4799 *483 L 4.3856 8.4634 123.7644 55.6771 43.6311 175.9607 484 R 5.0455 8.7030 122.3407 54.5371 33.1563 173.5162 485 W 4.9119 8.3218 124.8562 55.4597 32.0471 174.6603 *487 V 4.4810 8.3907 119.5146 62.5244 32.1647 174.2741 488 P 4.7847 0.0000 0.0000 62.3166 32.0510 176.8400 489 R 2.5100 7.8181 122.7123 56.4245 30.2854 175.8429 490 N 4.7303 8.5307 118.9224 52.5340 39.7051 173.4545 491 D 5.0106 8.7850 116.6443 53.2386 39.8678 176.9100 492 G 4.0435 8.7007 110.6733 44.9746 0.0000 173.9613 493 L 4.3080 8.2335 119.7314 54.1934 42.3236 176.1653 494 P 4.4102 0.0000 0.0000 62.8314 33.0056 174.9100 495 I 4.0301 7.5078 121.7394 60.6885 38.0619 175.8183 496 V 3.9285 8.8676 128.0040 64.8871 32.3669 175.5610 497 I 4.9771 7.1027 111.6674 59.4093 41.5354 172.9714 498 F 5.3044 9.1521 121.2337 55.6482 42.4339 174.6945 499 K 4.9003 9.0856 121.0313 54.6203 35.7170 175.2420 500 V 4.2858 8.3719 124.3997 61.7835 33.2278 174.5018 501 Q 5.6111 8.8910 126.5865 54.6777 32.5609 174.0330 502 Y 5.6221 8.9758 119.1113 55.8179 41.8698 174.0851 503 R 4.1157 8.3722 120.1408 56.2633 37.2455 175.9491 *505 V 3.9592 8.5475 112.6772 60.9218 33.1266 173.5854 506 G 3.8594 8.6633 104.0291 44.1740 0.0000 172.3256 507 K 4.4654 7.7259 121.6806 55.2790 35.6687 175.7527 508 R 3.8024 8.3769 117.6234 57.2828 28.1156 175.7687 509 K 4.4741 7.8718 113.8474 54.2966 34.0146 175.6597 510 N 4.9903 8.0610 117.6363 50.5977 39.7724 173.9865 511 W 4.4346 8.6055 120.5432 56.5244 29.9854 175.4428 512 Q 4.6155 9.0859 126.0022 54.5609 31.4352 174.0535 513 T 5.2819 8.1541 119.9504 61.7576 71.2607 174.2689 514 T 4.2484 8.8444 116.2848 61.5807 69.9925 174.8550 515 N 4.6655 8.4713 122.4194 51.4723 37.3083 173.9754 516 D 4.4956 7.4337 116.4359 53.2360 42.6703 172.5722 517 N 4.8076 8.3835 120.1233 52.2386 39.2569 174.4622 518 I 4.2920 8.5432 126.8003 59.6752 38.2612 174.3663 519 P 4.7865 0.0000 0.0000 62.5469 31.5151 176.2799 520 Y 3.9972 8.6578 124.7960 59.1708 39.1524 177.7728 521 G 3.9688 8.3224 106.9295 45.3342 0.0000 172.3160 522 K 4.6795 8.2549 118.4240 53.7838 36.1067 174.6729 523 P 4.5808 0.0000 0.0000 61.8687 33.1403 175.9156 524 K 3.9618 8.5289 118.3624 58.8125 32.1082 177.3264 525 W 5.4198 7.6675 116.0657 55.0591 32.5365 174.5182 526 N 4.9721 8.4384 118.3202 52.0950 37.0094 173.7633 527 S 4.5419 7.4867 111.5829 57.8860 65.0257 175.7977 528 E 3.9583 8.7081 121.4247 58.6437 29.7858 177.9292 529 L 4.1357 8.5741 122.1524 55.3788 43.7018 176.1001 530 G 3.8914 5.9434 107.8110 45.1786 0.0000 172.8361 531 K 5.0695 9.2098 128.1406 54.6676 34.2773 175.6424 532 S 4.7832 8.9870 124.0051 57.6837 64.4387 173.6176 533 F 4.4547 8.1529 120.4127 55.8533 43.3215 173.6496 534 T 5.3823 7.8876 108.9510 59.6049 71.9632 172.4993 535 A 4.7085 8.3202 121.5022 51.3904 21.9312 175.6246 536 S 4.9345 8.7150 113.7988 56.4854 66.2972 173.5542 537 V 4.3201 8.4372 121.1127 61.4624 33.9355 174.7819 538 T 4.8768 8.2392 117.8059 59.6626 71.9652 172.7536 539 D 4.3437 8.4272 117.2748 55.3818 39.6006 173.2144 540 L 4.5199 7.8578 116.1281 52.9635 43.3397 175.9079 541 K 4.5343 8.3155 120.7200 54.1333 33.1669 175.4375 542 P 4.5269 0.0000 0.0000 63.1911 32.1944 175.2883 543 Q 3.5682 8.8924 115.6483 57.0679 27.6926 172.0193 544 H 5.0713 7.5400 111.0042 54.1413 33.8566 171.9596 545 T 5.1557 8.2221 115.5928 62.2774 70.8773 173.4543 546 Y 4.9279 9.3405 121.9848 56.3327 42.9308 174.4047 547 R 5.1337 8.6389 118.7208 54.6863 34.3377 174.8933 548 F 5.9194 9.3849 119.5387 56.4186 43.9356 173.8225 549 R 4.8915 9.0906 115.9970 55.4344 33.3302 173.4877 550 I 4.5048 8.3811 120.9006 59.2978 40.0038 174.3146 551 L 4.9304 8.7087 129.2681 53.3489 44.1064 174.6417 552 A 4.8909 9.0309 128.4895 50.0559 21.8447 175.1648 553 V 4.5917 8.0096 122.3439 61.4032 33.2280 175.0945 554 Y 4.8270 8.7352 126.0553 56.4075 39.8166 176.8582 555 S 4.2255 8.6985 115.2746 60.3633 62.9742 174.7446 556 N 4.6517 8.0562 117.3795 52.3175 37.3150 174.6119 557 N 4.2735 8.3806 115.4709 54.4417 38.3006 173.6341 558 D 4.6613 8.2159 116.2293 53.8993 42.0544 174.4606 559 N 5.6997 8.4804 120.0240 51.4963 41.8973 174.1348 560 K 4.7018 9.1758 121.4891 54.8999 36.5177 175.2203 561 E 5.1359 8.7409 123.8368 54.5086 31.7175 175.9628 562 S 4.5826 8.6754 118.2034 57.8408 64.2754 173.5910 563 N 4.6281 8.5734 118.0154 53.0394 38.9985 175.2312 564 T 4.5982 8.1705 110.3152 61.6097 69.8983 174.3557 565 S 4.6734 9.0230 118.6455 57.9116 64.2629 173.5165 566 A 4.4485 8.5649 121.9070 51.3933 19.1031 177.5956 567 K 4.3851 8.7419 118.7861 56.8188 33.1571 176.5280 568 F 4.9001 9.5909 126.2947 56.6051 42.1569 172.9632 569 Y 4.7096 8.0897 127.8972 56.6967 40.3071 173.6600 570 L 4.2783 8.3356 130.1051 53.6589 43.2410 175.3062 571 Q 4.3127 8.3697 129.1554 55.4534 29.6100 174.0843 572 P 4.6559 0.0000 0.0000 61.3228 33.2423 175.9501 573 G 3.7183 8.5708 108.4764 45.2262 0.0000 173.4352 574 A 4.0082 8.3910 124.4486 51.8918 18.9756 177.6178 575 A 4.4632 8.2017 124.6705 50.6894 20.1446 177.2416 576 L 4.2440 8.0478 119.1288 54.5118 42.3672 177.5726 577 D 4.5269 8.5334 119.4862 54.8725 40.7129 176.5709 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 464 S 8.18 4.34 0.00 3.49 3.20 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 0.00 465 T 7.63 3.96 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 466 Y 8.04 4.76 0.00 3.17 2.99 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 0.00 0.00 0.00 467 P 0.00 4.80 0.00 2.28 2.16 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.01 0.00 468 P 0.00 4.80 0.00 2.35 2.46 0.00 3.90 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 469 T 8.32 4.33 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 1.32 0.00 0.00 470 P 0.00 4.54 0.00 2.14 2.37 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.30 0.00 471 P 0.00 5.13 0.00 2.12 2.09 0.00 3.81 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 2.08 1.99 0.00 472 N 9.13 5.04 0.00 2.80 3.01 0.00 0.00 6.54 8.17 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 0.00 473 V 8.27 4.38 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.68 0.00 0.00 0.71 0.00 0.00 474 T 7.58 4.74 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 1.18 0.00 0.00 475 R 8.88 4.22 0.00 2.12 2.00 0.00 3.30 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 476 L 8.38 4.47 0.00 1.74 1.64 0.88 1.00 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 0.00 477 S 7.24 4.53 0.00 3.94 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 0.00 478 D 8.68 4.72 0.00 2.81 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 0.00 479 E 8.54 5.07 0.00 1.91 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 2.34 2.05 0.00 480 S 8.01 4.96 0.00 3.86 3.84 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 0.00 481 V 8.14 4.59 1.58 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 0.79 0.00 0.00 0.32 0.00 0.00 *483 L 8.46 4.39 0.00 1.81 1.72 0.87 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 484 R 8.70 5.05 0.00 1.78 1.87 0.00 3.35 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.59 0.00 485 W 8.32 4.91 0.00 3.53 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 *487 V 8.39 4.48 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 1.64 0.00 0.00 1.65 0.00 0.00 488 P 0.00 4.78 0.00 1.98 1.94 0.00 3.94 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 489 R 7.82 2.51 0.00 1.23 1.14 0.00 2.78 0.00 0.00 2.43 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.10 0.00 490 N 8.53 4.73 0.00 2.70 2.70 0.00 0.00 6.05 8.06 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 0.00 491 D 8.78 5.01 0.00 2.87 2.87 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 0.00 492 G 8.70 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 0.00 0.00 0.00 493 L 8.23 4.31 0.00 1.49 1.66 0.84 1.01 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 0.00 494 P 0.00 4.41 0.00 1.90 2.01 0.00 3.67 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.93 0.00 495 I 7.51 4.03 1.51 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.37 -0.02 0.00 0.00 496 V 8.87 3.93 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 0.90 0.00 0.00 0.86 0.00 0.00 497 I 7.10 4.98 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.33 0.87 0.00 0.00 498 F 9.15 5.30 0.00 2.97 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 0.00 499 K 9.09 4.90 0.00 1.57 1.64 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.31 7.81 500 V 8.37 4.29 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 1.05 0.00 0.00 0.86 0.00 0.00 501 Q 8.89 5.61 0.00 1.84 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.39 0.00 0.00 0.00 0.00 0.00 2.24 2.16 0.00 502 Y 8.98 5.62 0.00 2.76 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 503 R 8.37 4.12 0.00 1.43 0.94 0.00 2.21 0.00 0.00 2.25 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.86 0.00 *505 V 8.55 3.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.84 0.00 0.00 506 G 8.66 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 0.00 0.00 0.00 507 K 7.73 4.47 0.00 1.59 1.60 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.43 7.81 508 R 8.38 3.80 0.00 1.94 1.94 0.00 3.25 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 509 K 7.87 4.47 0.00 1.55 1.48 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.18 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.18 7.81 510 N 8.06 4.99 0.00 2.76 2.71 0.00 0.00 6.11 8.88 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 0.00 511 W 8.61 4.43 0.00 3.13 3.05 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 0.00 512 Q 9.09 4.62 0.00 1.76 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 513 T 8.15 5.28 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 1.28 0.00 0.00 514 T 8.84 4.25 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 1.35 0.00 0.00 515 N 8.47 4.67 0.00 2.74 2.82 0.00 0.00 6.75 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 516 D 7.43 4.50 0.00 2.65 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 517 N 8.38 4.81 0.00 2.67 2.79 0.00 0.00 7.21 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 518 I 8.54 4.29 2.17 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.06 1.12 0.00 0.00 519 P 0.00 4.79 0.00 2.01 2.02 0.00 3.77 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 520 Y 8.66 4.00 0.00 2.96 2.99 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 0.00 0.00 0.00 521 G 8.32 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 522 K 8.25 4.68 0.00 1.69 1.66 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.42 7.81 523 P 0.00 4.58 0.00 2.16 2.07 0.00 3.67 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 2.01 1.92 0.00 524 K 8.53 3.96 0.00 1.42 1.31 0.00 1.44 0.00 0.00 1.37 0.00 0.00 2.97 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.30 0.65 7.81 525 W 7.67 5.42 0.00 3.28 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 0.00 526 N 8.44 4.97 0.00 2.71 2.74 0.00 0.00 6.71 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 527 S 7.49 4.54 0.00 3.79 3.67 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 0.00 0.00 0.00 0.00 528 E 8.71 3.96 0.00 2.07 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 2.25 2.26 0.00 529 L 8.57 4.14 0.00 1.68 1.65 0.87 0.85 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 0.00 530 G 5.94 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 531 K 9.21 5.07 0.00 2.23 1.97 0.00 1.84 0.00 0.00 0.92 0.00 0.00 2.13 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.34 1.14 7.81 532 S 8.99 4.78 0.00 3.54 3.54 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 0.00 533 F 8.15 4.45 0.00 1.51 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 534 T 7.89 5.38 4.18 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 1.02 0.00 0.00 535 A 8.32 4.71 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.72 4.93 0.00 3.83 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 0.00 537 V 8.44 4.32 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 0.23 0.00 0.00 0.85 0.00 0.00 538 T 8.24 4.88 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 1.16 0.00 0.00 539 D 8.43 4.34 0.00 2.78 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 0.00 540 L 7.86 4.52 0.00 1.65 1.19 0.60 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 541 K 8.32 4.53 0.00 1.97 1.87 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.45 7.81 542 P 0.00 4.53 0.00 2.14 2.31 0.00 3.91 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 543 Q 8.89 3.57 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 544 H 7.54 5.07 0.00 3.12 2.75 0.00 5.62 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 545 T 8.22 5.16 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 1.33 0.00 0.00 546 Y 9.34 4.93 0.00 2.89 2.42 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 0.00 547 R 8.64 5.13 0.00 1.42 1.87 0.00 3.01 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 548 F 9.38 5.92 0.00 3.03 2.99 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 0.00 0.00 0.00 549 R 9.09 4.89 0.00 1.64 1.80 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.08 0.00 550 I 8.38 4.50 1.37 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 -0.36 -0.05 0.00 0.00 551 L 8.71 4.93 0.00 1.54 1.58 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 552 A 9.03 4.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 553 V 8.01 4.59 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.84 0.00 0.00 554 Y 8.74 4.83 0.00 3.15 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 0.00 555 S 8.70 4.23 0.00 3.99 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 0.00 556 N 8.06 4.65 0.00 2.81 2.91 0.00 0.00 6.07 8.04 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 0.00 557 N 8.38 4.27 0.00 2.84 2.96 0.00 0.00 7.04 9.02 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 0.00 558 D 8.22 4.66 0.00 2.85 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 559 N 8.48 5.70 0.00 2.60 2.82 0.00 0.00 6.71 7.61 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 0.00 560 K 9.18 4.70 0.00 2.04 1.76 0.00 1.56 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.34 1.35 7.81 561 E 8.74 5.14 0.00 1.69 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.17 0.00 562 S 8.68 4.58 0.00 3.95 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 0.00 563 N 8.57 4.63 0.00 2.79 2.85 0.00 0.00 6.94 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 0.00 564 T 8.17 4.60 4.51 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 565 S 9.02 4.67 0.00 4.15 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 0.00 566 A 8.56 4.45 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 0.00 567 K 8.74 4.39 0.00 1.74 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.51 7.81 568 F 9.59 4.90 0.00 3.37 3.35 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 0.00 569 Y 8.09 4.71 0.00 3.02 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 0.00 570 L 8.34 4.28 0.00 2.07 1.64 1.11 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 571 Q 8.37 4.31 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 572 P 0.00 4.66 0.00 2.12 2.04 0.00 3.90 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 573 G 8.57 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 0.00 0.00 0.00 574 A 8.39 4.01 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 0.00 575 A 8.20 4.46 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 0.00 576 L 8.05 4.24 0.00 1.65 1.62 0.92 1.04 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 0.00 577 D 8.53 4.53 0.00 2.67 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 * Residues marked with a * may have inaccurate shift predictions.