NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 378 M 4.4487 8.3049 120.3563 55.4303 33.2484 175.0149 379 M 4.5703 8.7565 125.8583 53.3582 33.3415 174.4964 380 T 4.6391 8.3144 110.9577 60.2277 72.8796 172.6124 381 V 4.0307 8.6430 126.0361 63.5345 31.7382 174.7996 382 A 4.4848 9.6024 130.1386 53.7714 21.0950 175.9227 383 H 5.4564 7.8106 111.0229 55.1582 34.2152 172.2367 384 M 5.2252 8.6131 114.0049 54.4692 34.8254 173.4439 385 W 5.4540 8.8869 130.8293 55.8845 33.6184 174.2226 386 F 4.3696 8.4364 120.1942 55.9591 41.2743 173.1209 387 D 4.1603 9.4019 115.9742 55.7863 38.4720 173.1101 388 N 4.1981 7.5089 111.1547 53.7709 37.6236 173.2286 389 Q 4.6789 7.3385 115.3095 54.5469 32.7206 172.9001 390 I 4.5050 8.2895 125.3031 61.6064 38.3120 174.9595 391 H 4.8607 9.2591 122.7077 53.9285 32.6632 172.4034 392 E 4.4448 7.3213 120.5008 55.1556 30.5196 175.9741 393 A 4.1406 8.1534 126.2258 51.0816 19.8234 177.1050 394 D 4.2751 8.4051 120.5716 54.4030 40.6275 176.1177 395 T 4.1767 8.2751 120.9923 63.3944 67.8246 175.5526 396 T 3.9081 8.3864 117.9313 67.0601 68.6842 174.4539 *403 T 3.7073 7.4720 113.4902 61.7556 67.8313 171.5934 404 F 4.7740 7.7754 121.6597 57.7106 40.2172 175.5652 405 D 4.6353 8.3012 123.9230 53.6069 42.0871 176.6182 406 K 4.0609 8.5222 125.7655 57.6407 32.8496 178.2344 407 R 4.0693 7.8492 118.2626 59.2771 30.3822 177.1220 408 S 4.1210 8.5184 110.9471 58.5800 62.7318 173.4692 409 P 4.3579 0.0000 0.0000 65.4367 31.0382 178.8878 410 T 3.7296 7.8149 115.2483 66.3638 68.3083 176.3186 411 W 3.4656 7.8162 129.4832 60.1097 30.6656 178.2835 412 T 3.4040 7.4912 115.3824 66.1972 67.9569 176.3393 413 A 3.7109 7.5820 122.5952 54.8665 18.4232 179.1874 414 L 3.4817 7.3381 118.8555 58.2919 42.0127 178.8917 415 S 3.2536 6.7655 112.7494 61.3198 62.0127 176.5505 416 R 3.7025 7.2864 119.8074 59.2804 29.6673 179.0986 417 I 3.6282 8.0287 119.6992 64.3055 36.8294 178.3244 418 A 4.2315 8.1236 121.2489 54.3649 18.2315 179.3599 419 G 3.6825 7.5354 103.5704 47.1586 0.0000 176.0225 420 L 4.1077 8.1391 120.6338 57.1780 42.9142 178.4961 421 C 4.5339 7.3987 117.5913 57.4790 30.5150 173.7600 422 N 4.9304 7.3652 118.3411 52.8202 41.5594 172.9435 *424 R 4.4554 8.7588 123.4744 57.0633 30.5877 174.7630 425 A 5.2950 7.4753 127.1373 51.6034 21.2290 175.2135 426 V 4.2762 8.0671 121.1580 60.8765 35.7098 174.2548 427 F 5.2632 8.5911 123.9452 56.5048 40.6044 176.2443 *437 K 4.2012 8.3498 119.9474 55.0504 32.5963 171.6864 438 R 4.9271 8.3781 127.9930 54.6622 32.1550 175.3317 439 D 4.5201 8.7423 122.0838 55.2068 41.3032 176.3721 440 T 4.4389 8.2071 119.1372 61.3173 69.2267 174.0363 441 A 4.2079 7.4408 119.9459 53.5094 19.6867 176.1707 442 G 4.4704 8.2093 108.7543 44.0370 0.0000 170.9518 443 D 4.5911 8.1196 119.7084 52.5620 41.5327 176.4476 444 A 3.9137 8.5764 121.8687 55.9808 18.1789 179.9839 445 S 4.1120 8.1101 111.9540 62.1304 62.5834 177.0987 446 E 4.0971 8.2790 120.0799 58.9329 29.0542 179.8005 447 S 3.9981 7.9880 115.5744 61.4106 62.9418 176.2251 448 A 3.9997 8.1386 123.4631 55.2092 18.1887 179.4044 449 L 3.9195 8.2228 117.7780 58.0910 41.7173 179.4037 450 L 3.9152 8.1330 120.2866 58.2918 41.8123 179.3147 451 K 4.1518 8.1243 118.1849 59.5308 32.0044 178.7763 452 C 4.1114 8.7205 119.2187 62.8647 31.5286 175.8299 453 I 3.8907 8.3834 121.5920 64.0969 36.4278 178.1098 454 E 4.2628 8.4122 121.7827 58.8855 29.3391 179.0053 455 L 4.1256 7.9839 117.6902 58.0129 41.8083 179.3873 456 S 4.4221 8.5373 114.3863 60.6791 62.9826 174.8686 457 C 4.7184 8.8839 116.7050 58.4978 29.8510 173.3091 458 G 3.6779 8.6043 105.1558 44.0112 0.0000 171.7139 459 S 4.3569 8.2830 113.1118 58.6383 62.5576 175.0416 460 V 3.8733 8.6802 123.4345 62.9921 31.5494 178.5862 461 R 3.8801 7.9267 118.7516 59.4794 29.8164 178.3041 462 K 4.0358 8.7236 119.5074 59.3508 31.8914 178.4994 463 M 4.0173 7.4912 118.3655 58.6478 32.5800 178.1983 464 R 4.0720 8.4082 118.4059 58.8985 29.9258 178.8220 465 D 4.4920 7.6529 118.1898 56.8463 40.7735 177.1249 466 R 4.4762 7.5427 117.5741 56.1463 30.3568 175.9016 467 N 5.4397 7.2811 109.9218 53.7036 39.4615 173.0917 468 P 4.0722 0.0000 0.0000 59.4896 32.4836 177.1536 469 K 4.1332 8.7078 124.9844 56.5397 32.1833 176.8585 470 V 4.4224 8.7283 123.5540 63.6773 34.1108 175.1756 471 A 4.8668 7.4355 119.4667 50.8199 22.8709 174.4832 472 E 5.0618 8.2815 116.7904 55.6770 32.7764 174.5620 473 I 4.7742 8.5004 124.0233 60.3347 42.3774 175.0395 474 S 4.3699 8.4593 120.5540 57.1035 64.2322 172.9237 *481 Y 4.6825 7.9154 122.6642 56.7141 39.1818 174.5625 482 Q 4.9516 8.8146 117.4145 54.3668 33.4283 174.6902 483 L 5.7618 8.4942 121.3262 54.5246 44.8278 174.4951 484 S 4.8073 7.8486 109.4071 57.7597 65.5328 174.9233 485 I 4.6146 7.7059 122.7681 59.9928 40.0714 174.3510 486 H 5.9082 8.3406 120.8101 53.2826 34.1139 172.5804 487 E 4.6573 8.7442 119.9312 55.6178 30.2884 176.4410 488 R 4.0106 8.2907 124.2829 56.7884 30.1289 176.8448 489 E 4.0933 8.9674 124.0685 58.8054 29.6318 177.1404 490 D 3.9293 7.6200 116.4152 58.2155 41.6107 175.8523 *492 N 4.9858 8.0570 118.9924 52.0249 37.9708 173.3331 493 P 4.3430 0.0000 0.0000 65.7942 31.4441 177.6022 494 Q 4.0922 8.1228 117.0312 57.3612 29.1798 174.9998 495 S 4.9074 7.9841 112.3268 56.6432 66.8649 172.4256 496 H 6.1791 8.8325 115.2947 52.9734 32.9300 173.2734 497 V 4.7502 7.9708 118.5757 59.9342 34.8018 173.8257 498 L 4.4813 9.2560 128.1149 53.7240 43.6325 175.1776 499 V 4.6520 8.4697 120.4487 59.8340 33.9997 174.7353 500 M 5.3743 9.0022 124.7576 53.7638 36.2447 173.7637 501 K 5.2312 8.9477 122.5436 54.2337 37.1652 176.0704 502 G 3.8713 8.1334 104.9465 44.5639 0.0000 171.2073 503 A 4.1360 8.3264 121.5457 52.4040 19.4231 176.1269 504 P 4.2433 0.0000 0.0000 66.1911 31.4784 178.6384 505 E 4.0643 7.9881 116.2286 59.7075 29.2815 179.7181 506 R 3.9822 7.9045 116.5130 59.0955 30.5188 178.6958 507 I 3.8558 8.3101 120.0239 64.4027 37.2086 177.9543 508 L 3.8335 8.3906 121.3741 58.5473 41.4746 178.8220 509 D 4.4074 7.7943 117.2129 56.9356 40.9377 177.4638 510 R 4.6118 7.8378 116.1773 55.5440 30.3689 175.2196 511 C 5.2691 7.9622 116.7286 58.0221 30.5177 173.7055 512 S 4.6482 8.9176 118.6143 59.2635 64.6458 173.5494 513 S 5.3184 7.2699 114.5781 57.7645 66.4513 172.5738 514 I 4.5391 7.8175 115.0044 60.8715 41.8327 173.7131 515 L 4.9718 8.7292 128.7998 53.8024 42.9098 176.6678 516 V 4.2838 8.6874 123.0775 61.9848 33.8585 175.3530 517 Q 3.4381 10.5879 129.2894 57.1026 26.5909 175.5882 518 G 3.9648 8.1467 104.6927 45.4740 0.0000 173.5677 519 K 4.3854 7.9043 122.4886 55.1719 33.8181 174.9460 520 E 4.9580 8.7632 129.0246 55.4637 30.5521 175.2647 521 I 4.8759 8.8887 120.6628 57.9010 41.3450 172.9283 522 P 4.3610 0.0000 0.0000 63.0596 31.3247 176.2184 523 L 4.4989 8.5577 126.4315 54.4638 40.1537 175.5158 524 D 4.6251 7.6951 121.6934 52.9889 41.7769 176.2256 525 K 3.8142 8.5686 118.8234 59.9393 32.0402 177.7894 526 E 3.9252 8.3173 118.8982 60.0377 29.3656 178.8651 527 M 4.2268 8.4290 118.2449 58.4801 31.9485 178.6448 528 Q 3.9230 8.2243 118.2428 59.1272 28.8657 178.9090 529 D 4.3260 8.4840 119.7904 57.3363 40.9134 178.4425 530 A 4.0836 7.9838 121.3207 55.1857 18.2101 179.6118 531 F 2.7604 8.1425 118.9701 60.9981 39.4979 177.1108 532 Q 3.8908 8.3589 119.5703 59.2119 28.8217 177.8447 533 N 4.1155 8.5314 117.9215 56.5402 38.9770 176.4997 534 A 3.6540 7.3254 121.9279 55.4009 18.2908 178.8950 535 Y 4.1328 7.9235 118.2516 60.7963 38.5451 178.5429 536 L 3.7337 7.5631 119.9391 57.1961 41.5693 178.7667 537 E 3.7818 7.7567 118.3244 59.2585 30.0500 178.4029 538 L 4.1865 7.8568 119.0616 57.9438 41.7665 179.9966 539 G 3.6191 7.8759 105.3509 47.5095 0.0000 175.7995 540 G 3.6755 7.7377 106.6426 46.6416 0.0000 174.6759 541 L 4.4560 7.4652 119.5295 54.2050 41.8317 177.2650 542 G 3.9018 7.8145 106.9223 45.9892 0.0000 173.5036 543 E 4.6448 7.8141 117.8392 54.7712 31.3391 176.0033 544 R 4.1503 8.7715 123.9706 56.4072 31.1068 175.2315 545 V 4.7428 8.5542 126.6133 61.5274 33.3377 174.7625 546 L 4.8961 8.8424 126.0471 52.9251 46.0453 175.5666 547 G 4.6735 8.6477 108.6912 44.7073 0.0000 172.4682 548 F 5.2948 8.9741 121.2180 55.4791 42.7952 173.9350 549 C 5.2036 8.9616 117.7127 56.9548 33.8868 172.3000 550 Q 5.4076 8.5559 115.9998 56.1191 32.3852 173.2869 551 L 4.5118 7.8965 120.4903 54.0672 45.4646 173.9415 552 N 4.8590 8.7824 124.7074 52.2385 38.5107 174.8084 553 L 4.0064 8.3103 124.8516 53.8034 42.6688 176.0625 554 P 4.3201 0.0000 0.0000 62.9620 31.7306 177.5486 555 S 4.3396 8.7698 117.5022 60.5095 63.3799 175.9466 556 G 3.6524 8.0008 110.1708 48.7073 0.0000 175.2597 557 K 3.8407 7.7494 118.9662 57.4166 32.9011 177.3102 558 F 4.3166 7.4687 116.1614 55.1826 39.1166 171.9917 559 P 4.5874 0.0000 0.0000 62.1605 32.3380 176.3099 560 R 3.8980 7.7371 116.5100 58.0655 30.2597 177.0742 561 G 3.9326 8.9388 108.2940 46.4539 0.0000 173.0825 562 F 4.1265 7.8205 121.9428 56.8803 39.7039 175.6256 563 K 3.9901 7.5962 127.4962 55.9526 30.8330 176.3151 564 F 4.6465 8.3971 123.0604 57.1176 39.6160 175.4084 565 D 4.7644 8.7876 124.8282 52.8628 40.8747 176.8064 566 T 4.0627 8.7409 124.0950 66.6684 68.6313 175.2701 567 D 4.1695 7.7235 119.4815 56.2259 41.0756 175.6464 568 E 3.9318 6.9075 129.7061 55.5082 29.6082 176.1392 569 L 3.3573 8.3171 126.7161 55.5550 41.5889 176.7293 570 N 4.8432 7.6500 120.5968 52.9531 38.8325 173.7589 571 F 5.1603 6.7679 110.8117 55.4615 40.4672 171.2103 572 P 4.7863 0.0000 0.0000 62.6824 32.0968 175.7162 573 T 4.6817 8.4144 108.5835 61.1901 69.8148 173.0513 574 E 4.7013 7.4865 120.0506 55.9462 33.3034 175.1126 575 K 3.7606 8.4520 115.9845 57.3890 29.3478 176.2099 576 L 4.3558 8.2807 118.9807 54.4333 44.1521 175.7424 577 C 5.1387 8.6771 120.5829 56.7762 33.1629 172.7548 578 F 4.2717 9.0221 130.2259 58.8658 39.6365 174.9155 579 V 3.9677 7.9124 125.5828 63.1722 33.2453 175.3769 580 G 4.3696 6.4991 105.0167 46.6469 0.0000 171.2997 581 L 5.9127 8.9588 119.5349 53.6149 45.6874 176.5904 582 M 5.3646 9.2908 120.5416 54.6665 36.1773 174.1424 583 S 5.3960 9.3559 120.0581 57.2460 65.7940 173.2155 584 M 5.3114 9.1061 121.7914 53.6648 35.5189 174.3432 585 I 4.8591 8.4902 122.0636 59.3901 40.5612 175.8245 586 D 4.7165 8.8447 126.0705 54.1581 39.9304 174.9478 587 H 4.7503 7.4776 114.2787 55.5572 30.9617 171.2314 588 H 4.9542 8.1756 114.1913 54.8322 31.5082 172.3575 589 H 4.6219 8.7524 114.2063 57.1832 30.8839 173.3080 590 H 4.8447 7.5762 110.9752 54.7678 31.3080 171.6668 591 H 4.9764 8.4570 115.3466 54.3182 31.9624 173.7326 592 H 4.5540 8.7102 118.3992 56.1059 29.2993 173.6467 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 378 M 8.30 4.45 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.60 0.00 379 M 8.76 4.57 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.42 0.00 380 T 8.31 4.64 4.25 0.00 0.00 0.00 0.00 0.00 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 0.00 381 V 8.64 4.03 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 0.86 0.00 0.00 0.98 0.00 0.00 382 A 9.60 4.48 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 0.00 383 H 7.81 5.46 0.00 3.32 3.29 0.00 5.85 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 384 M 8.61 5.23 0.00 2.23 2.49 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.53 0.00 385 W 8.89 5.45 0.00 3.49 3.32 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 0.00 386 F 8.44 4.37 0.00 2.97 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 0.00 387 D 9.40 4.16 0.00 2.84 2.79 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 0.00 388 N 7.51 4.20 0.00 2.84 2.87 0.00 0.00 6.94 7.08 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 0.00 389 Q 7.34 4.68 0.00 2.08 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.86 6.79 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 390 I 8.29 4.51 1.91 0.00 0.00 1.00 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 1.11 0.96 0.00 0.00 391 H 9.26 4.86 0.00 2.86 2.76 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 392 E 7.32 4.44 0.00 1.16 1.62 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 0.00 2.34 2.49 0.00 393 A 8.15 4.14 1.16 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 0.00 0.00 394 D 8.41 4.28 0.00 2.60 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 0.00 395 T 8.28 4.18 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 1.23 0.00 0.00 396 T 8.39 3.91 4.46 0.00 0.00 0.00 0.00 0.00 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 *403 T 7.47 3.71 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 -0.11 0.00 0.00 404 F 7.78 4.77 0.00 3.08 2.70 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 0.00 405 D 8.30 4.64 0.00 2.65 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 0.00 406 K 8.52 4.06 0.00 1.78 1.97 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.70 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 0.84 7.81 407 R 7.85 4.07 0.00 2.22 2.06 0.00 3.38 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 408 S 8.52 4.12 0.00 4.09 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 0.00 409 P 0.00 4.36 0.00 2.18 2.06 0.00 3.68 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 2.11 2.18 0.00 410 T 7.81 3.73 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 1.06 0.00 0.00 411 W 7.82 3.47 0.00 2.96 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 0.00 412 T 7.49 3.40 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 413 A 7.58 3.71 1.18 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 0.00 0.00 414 L 7.34 3.48 0.00 1.42 1.02 0.46 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 415 S 6.77 3.25 0.00 2.72 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 0.00 416 R 7.29 3.70 0.00 1.85 1.77 0.00 3.07 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 417 I 8.03 3.63 1.93 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 1.34 1.12 1.03 0.00 0.00 418 A 8.12 4.23 1.06 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 0.00 0.00 419 G 7.54 3.68 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 0.00 0.00 0.00 420 L 8.14 4.11 0.00 1.38 1.36 0.67 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 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8.92 4.65 0.00 3.90 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 0.00 513 S 7.27 5.32 0.00 4.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 514 I 7.82 4.54 2.02 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.79 1.07 0.00 0.00 515 L 8.73 4.97 0.00 1.58 1.57 0.85 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 516 V 8.69 4.28 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 1.11 0.00 0.00 0.96 0.00 0.00 517 Q 10.59 3.44 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.54 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 518 G 8.15 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 0.00 0.00 0.00 519 K 7.90 4.39 0.00 1.82 1.77 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.53 7.81 520 E 8.76 4.96 0.00 2.02 1.84 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 2.27 2.32 0.00 521 I 8.89 4.88 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.64 0.93 0.00 0.00 522 P 0.00 4.36 0.00 2.10 2.14 0.00 3.77 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 523 L 8.56 4.50 0.00 1.82 1.66 0.90 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 524 D 7.70 4.63 0.00 2.95 2.85 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 0.00 0.00 0.00 525 K 8.57 3.81 0.00 1.85 1.86 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.51 7.81 526 E 8.32 3.93 0.00 2.10 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 2.44 2.48 0.00 527 M 8.43 4.23 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.92 0.00 528 Q 8.22 3.92 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.24 2.66 0.00 529 D 8.48 4.33 0.00 2.90 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 0.00 530 A 7.98 4.08 1.64 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 0.00 0.00 531 F 8.14 2.76 0.00 2.70 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 0.00 532 Q 8.36 3.89 0.00 2.33 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.57 0.00 0.00 0.00 0.00 0.00 2.54 2.62 0.00 533 N 8.53 4.12 0.00 2.74 2.80 0.00 0.00 7.15 8.16 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 0.00 534 A 7.33 3.65 0.40 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 0.00 0.00 0.00 535 Y 7.92 4.13 0.00 2.00 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 0.00 536 L 7.56 3.73 0.00 1.80 1.54 0.86 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 537 E 7.76 3.78 0.00 1.90 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 2.25 2.29 0.00 538 L 7.86 4.19 0.00 1.78 1.75 1.05 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 539 G 7.88 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 540 G 7.74 3.68 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 0.00 0.00 0.00 541 L 7.47 4.46 0.00 1.81 1.70 0.80 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 542 G 7.81 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 0.00 0.00 0.00 543 E 7.81 4.64 0.00 2.02 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 2.31 2.32 0.00 544 R 8.77 4.15 0.00 1.96 1.88 0.00 3.12 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 545 V 8.55 4.74 2.45 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 1.08 0.00 0.00 1.11 0.00 0.00 546 L 8.84 4.90 0.00 1.80 1.13 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 547 G 8.65 4.67 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 0.00 0.00 0.00 548 F 8.97 5.29 0.00 2.90 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 0.00 549 C 8.96 5.20 0.00 2.96 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 0.00 550 Q 8.56 5.41 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.74 0.00 0.00 0.00 0.00 0.00 2.14 2.05 0.00 551 L 7.90 4.51 0.00 1.64 1.34 0.87 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 552 N 8.78 4.86 0.00 2.61 2.75 0.00 0.00 7.18 7.85 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 0.00 553 L 8.31 4.01 0.00 1.56 1.33 0.34 0.37 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 0.00 554 P 0.00 4.32 0.00 2.31 2.05 0.00 3.86 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.15 0.00 555 S 8.77 4.34 0.00 3.99 4.01 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 0.00 556 G 8.00 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 557 K 7.75 3.84 0.00 1.09 1.06 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.27 1.33 7.81 558 F 7.47 4.32 0.00 3.10 2.86 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 0.00 559 P 0.00 4.59 0.00 2.26 2.30 0.00 3.84 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.05 0.00 560 R 7.74 3.90 0.00 1.91 1.98 0.00 3.32 0.00 0.00 3.36 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 561 G 8.94 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 0.00 0.00 0.00 562 F 7.82 4.13 0.00 3.00 2.56 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 0.00 0.00 0.00 0.00 563 K 7.60 3.99 0.00 1.40 1.61 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.22 1.25 7.81 564 F 8.40 4.65 0.00 3.26 3.47 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 0.00 0.00 0.00 0.00 565 D 8.79 4.76 0.00 2.76 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 0.00 566 T 8.74 4.06 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 1.34 0.00 0.00 567 D 7.72 4.17 0.00 2.64 2.49 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 0.00 568 E 6.91 3.93 0.00 1.92 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 2.31 2.32 0.00 569 L 8.32 3.36 0.00 1.52 1.47 0.54 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 570 N 7.65 4.84 0.00 2.84 3.22 0.00 0.00 7.06 6.90 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 0.00 571 F 6.77 5.16 0.00 2.82 3.19 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 0.00 572 P 0.00 4.79 0.00 2.24 2.18 0.00 3.59 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.98 0.00 573 T 8.41 4.68 4.17 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 1.40 0.00 0.00 574 E 7.49 4.70 0.00 1.98 1.84 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 2.31 2.26 0.00 575 K 8.45 3.76 0.00 1.92 1.93 0.00 1.81 0.00 0.00 0.61 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.41 7.81 576 L 8.28 4.36 0.00 1.53 1.66 0.79 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 577 C 8.68 5.14 0.00 3.08 2.94 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 0.00 578 F 9.02 4.27 0.00 3.20 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 0.00 579 V 7.91 3.97 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 0.63 0.00 0.00 0.84 0.00 0.00 580 G 6.50 4.37 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 0.00 581 L 8.96 5.91 0.00 1.97 1.93 0.83 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 582 M 9.29 5.36 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 583 S 9.36 5.40 0.00 4.06 4.08 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 0.00 584 M 9.11 5.31 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 585 I 8.49 4.86 1.89 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 1.21 1.45 0.95 0.00 0.00 586 D 8.84 4.72 0.00 2.87 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 0.00 587 H 7.48 4.75 0.00 3.19 3.28 0.00 5.50 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 588 H 8.18 4.95 0.00 3.17 3.25 0.00 5.47 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 0.00 589 H 8.75 4.62 0.00 3.13 3.40 0.00 5.70 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 0.00 590 H 7.58 4.84 0.00 3.15 3.22 0.00 5.47 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 591 H 8.46 4.98 0.00 3.11 3.18 0.00 5.64 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 0.00 592 H 8.71 4.55 0.00 3.13 3.16 0.00 5.73 0.00 0.00 0.00 0.00 6.91 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.