NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 417 K 4.5893 8.3149 120.1468 56.1770 32.5485 175.6409 418 L 4.0851 8.9054 124.7863 54.1835 41.9712 176.3907 419 F 5.0152 8.9866 115.1291 54.7185 40.7517 174.8800 420 I 4.0509 8.2944 125.9388 61.0941 37.8572 175.7029 421 T 4.6173 8.1425 110.1118 61.0362 69.9612 172.5383 422 E 4.3599 7.7509 121.4426 55.2562 33.1173 174.1881 423 G 3.9913 8.2847 106.5864 45.1548 0.0000 171.4274 424 Y 5.1542 8.2171 115.5018 56.1468 40.1628 175.7192 425 E 4.7635 8.9083 122.7392 54.2070 32.6733 175.2603 426 V 3.7280 8.5592 124.5377 63.5236 32.9651 176.3313 427 G 4.0832 9.8667 116.4275 46.1795 0.0000 172.2330 428 R 5.1764 7.4860 118.7158 54.1524 32.8594 174.8644 429 V 4.4698 8.7089 125.0980 61.1635 35.5591 173.9134 430 N 4.8461 8.9402 125.3078 52.9435 39.4493 175.1640 431 G 4.2846 8.6218 112.0198 44.8967 0.0000 171.4571 432 L 5.4147 8.1321 117.6244 52.8079 45.1863 176.2448 433 A 4.7730 8.8040 123.1368 50.3004 23.7887 174.8420 434 V 4.6820 8.1324 111.7951 59.6701 34.1641 176.0635 435 I 4.1435 8.6710 119.8549 59.6630 39.9213 176.9911 436 G 3.9571 8.0808 106.5894 44.7767 0.0000 176.0235 437 E 4.0931 8.9790 126.2436 59.0328 29.7115 177.4169 438 S 4.4405 7.8082 108.6110 59.8654 67.2942 174.5038 439 A 3.8868 7.9884 120.8168 52.6070 18.7996 176.7470 440 G 4.3655 8.6196 108.9320 44.9127 0.0000 172.7451 441 I 4.6707 8.2097 113.6386 58.3405 41.3531 174.7391 442 V 4.0939 8.0683 123.3726 62.9659 32.5324 175.6150 443 L 4.6586 9.4640 130.2164 52.4153 43.8322 173.3017 444 P 5.0206 0.0000 0.0000 62.3303 33.1243 175.1533 445 I 5.0629 8.8704 123.3207 59.5848 40.9337 174.3857 446 I 4.9781 8.7536 127.1947 59.3864 39.8677 174.4519 447 A 5.2532 9.0756 128.6087 50.1250 21.8791 175.0110 448 E 4.6902 9.1053 120.9060 54.5772 33.5515 174.4144 449 V 5.0367 8.4597 119.0063 59.8728 34.8591 175.0782 450 T 4.6321 8.8365 119.6211 59.5717 70.9167 170.4080 451 P 4.6766 0.0000 0.0000 63.2179 31.6220 176.0573 452 S 4.3948 8.7577 120.0982 57.6742 62.9635 175.2273 453 M 4.7994 8.0495 122.1231 53.7041 31.7414 174.3177 *457 E 4.4256 7.4243 124.7627 57.0872 33.5756 179.3295 458 G 4.3761 8.7040 116.4257 45.7371 0.0000 170.8063 459 R 4.7452 8.4847 114.9041 55.0983 33.3037 173.9249 460 V 4.5609 8.2542 120.1866 61.8290 32.9443 174.9288 461 I 4.4881 9.0854 129.2757 59.6458 38.9917 174.5449 462 A 5.1320 8.5246 127.7825 50.5184 22.6637 174.3130 463 T 4.5302 8.2595 108.4661 60.3623 72.0253 173.8625 464 G 3.9138 8.4682 109.5618 44.7963 0.0000 174.1625 465 R 3.9337 8.4111 116.2847 58.7068 30.3476 177.6257 466 L 4.3971 7.6766 116.4322 54.6065 42.0198 178.1494 467 Q 4.1940 7.9821 120.7313 59.4623 28.1980 178.6146 468 E 3.9840 8.1755 119.0467 59.1935 29.7564 178.9496 469 I 3.7096 7.8409 120.0940 64.1256 37.1526 178.0821 470 A 4.1154 8.0582 121.1954 55.3161 18.1738 179.9564 471 R 3.8787 8.2999 116.7760 59.1115 30.2057 178.8534 472 E 3.8948 8.6308 119.3640 59.2552 29.6171 178.5857 473 A 4.0124 8.4436 121.1165 55.2274 18.3665 179.6193 474 V 3.5061 7.9757 116.6522 66.4587 31.4989 177.5023 475 M 3.9500 8.1747 118.0091 59.1872 32.0425 178.0429 476 N 4.4385 8.1548 116.1036 56.0730 38.8207 177.8764 477 V 3.7112 8.2130 121.0636 64.9410 31.4457 178.3648 478 S 4.1397 8.5176 116.0739 61.5542 62.8472 176.7502 479 A 4.0456 7.8861 122.9858 55.0595 18.1575 179.8798 480 I 3.8664 7.7686 117.8680 64.5916 37.3571 178.4568 481 I 3.7599 8.2975 120.9776 64.5924 37.0066 178.1139 482 K 3.9566 7.9844 120.2255 58.7845 31.7235 178.7583 483 K 3.5710 7.5680 117.9182 59.8492 32.2041 177.8109 484 Y 4.2064 7.4985 113.3962 58.7579 38.5042 176.3548 485 T 4.4490 7.7457 114.2998 61.9074 70.7755 175.8950 486 G 3.9884 8.2078 108.7247 45.1960 0.0000 173.3694 487 R 4.1601 7.4434 119.9932 55.1679 30.6365 174.3185 488 D 4.8883 8.6325 125.3810 52.7192 42.1205 175.0428 489 I 4.3708 8.3037 120.8727 61.1345 37.6654 176.5762 490 S 4.4893 8.0855 115.4931 60.0662 63.7483 174.2897 491 N 4.9201 7.9837 118.8232 53.8004 39.2079 174.1164 492 M 5.2861 7.7647 116.8520 53.8829 36.2355 174.1647 493 D 4.8879 9.4294 122.5618 53.2772 42.8567 175.5787 494 V 4.6684 8.4788 124.2968 61.5128 34.0115 173.8582 495 H 5.1102 9.2183 126.5013 54.4714 30.3800 174.1809 496 I 4.8513 8.2934 124.5238 59.3749 39.5545 175.0392 497 Q 4.4008 8.8289 127.3211 54.2118 32.5472 173.6186 498 F 5.2657 8.5948 124.4298 56.0631 40.3807 175.6862 499 V 3.7514 8.5722 125.1154 63.7701 32.1132 175.9330 500 G 3.4081 8.9466 115.4470 46.3554 0.0000 173.7289 501 T 3.9936 7.5338 120.2104 62.5169 67.3144 173.7418 502 Y 4.9019 7.5810 123.0783 56.3335 39.9468 175.1651 503 E 4.6508 8.0343 119.4363 55.8770 33.5778 176.0095 504 G 3.9755 8.6820 107.2983 46.5353 0.0000 172.8402 505 V 4.4458 7.1170 113.3959 59.4677 32.8360 175.0761 506 E 4.4157 8.2827 126.0609 54.7850 30.8124 175.9418 507 G 4.0057 8.4228 114.0346 44.7723 0.0000 172.4318 508 D 4.7245 8.4081 120.0270 52.9986 41.7222 177.0755 509 S 4.1441 8.7952 117.6914 60.2066 63.4580 174.1448 510 A 3.8120 9.0021 123.9043 52.4098 16.3050 176.8340 511 S 4.5960 8.2292 114.0423 60.0423 62.9971 174.5997 512 I 3.7275 8.9244 123.1343 64.3666 36.6666 178.0631 513 S 4.1279 8.2691 116.2969 61.8526 62.6654 176.8842 514 I 3.7393 7.8557 121.6541 64.3398 36.9607 178.1203 515 A 4.0330 8.0887 121.1204 55.8715 18.0479 179.7209 516 T 3.9188 8.5195 114.1281 66.4178 68.4282 177.0680 517 A 3.9723 7.9421 122.6636 55.0278 18.2999 179.9296 518 V 3.5247 7.9562 116.7913 66.2088 31.5746 178.2876 519 I 3.7277 7.8128 119.6256 64.4773 36.8727 178.3593 520 S 4.0720 8.4333 113.9899 61.2245 61.9908 176.1608 521 A 3.9822 7.9048 122.6108 55.2277 18.2518 179.3539 522 I 3.8179 7.8600 117.4696 64.5761 37.3195 178.1425 523 E 4.2698 8.5293 117.7324 56.2659 29.6945 176.8341 524 G 3.8364 8.2701 106.7712 46.8403 0.0000 173.7027 525 I 4.4999 7.6723 119.8746 58.2601 39.6739 174.4548 526 P 4.5974 0.0000 0.0000 62.7826 32.9207 175.3867 527 V 4.8566 8.5940 121.9806 60.9931 34.4565 174.3169 528 D 3.8063 8.9547 127.9809 54.0488 41.3615 176.9830 529 Q 4.1778 8.6681 126.3716 57.8611 29.0307 177.2551 530 S 4.6043 8.1267 111.8200 57.8235 63.5330 173.2278 531 V 4.8419 7.2307 120.3338 61.3076 33.2097 174.5909 532 A 5.1942 9.0203 129.9922 50.6795 21.4633 175.1551 533 M 5.3386 8.7188 116.2981 54.3159 35.4447 173.7584 534 T 4.5840 8.5937 112.6381 60.7194 71.0020 172.1948 535 G 4.3197 7.5146 112.8194 43.9595 0.0000 172.0465 536 S 5.4233 7.9280 117.7450 55.7690 65.5516 172.9047 537 L 5.1325 8.4239 126.2695 53.4387 43.4463 176.3835 538 S 4.5765 8.6493 121.2182 57.6095 64.4784 175.8693 539 V 3.7180 8.4012 113.7606 64.3453 31.4290 177.8416 540 K 4.1754 8.0014 116.8426 57.3460 32.4007 177.5381 541 G 4.1017 8.4571 108.5085 45.0244 0.0000 172.9812 542 E 4.7381 8.3519 119.4216 55.7653 31.0919 175.8984 543 V 4.4688 8.4399 124.0629 61.7384 32.3495 175.3488 544 L 4.7685 9.1148 129.0716 52.7607 43.8530 174.7473 545 P 4.7285 0.0000 0.0000 63.0758 32.5573 175.3648 546 V 4.4452 8.5418 112.6763 59.9197 35.7430 175.0710 547 G 3.8418 8.4717 110.8791 45.1767 0.0000 173.1386 548 G 4.4583 8.5345 104.2559 45.6055 0.0000 176.5083 549 V 3.6135 7.8023 120.8807 65.7952 31.5395 177.1463 550 T 3.8849 7.8134 115.2150 66.5644 68.3430 176.5873 551 Q 3.9375 7.9543 119.4522 58.8642 28.8900 178.3506 552 K 3.8118 8.0278 119.5260 59.8728 32.0478 179.3777 553 I 3.7597 7.7475 119.5890 64.4396 37.0060 178.3347 554 E 4.0363 8.4524 119.3573 59.4439 29.1367 179.3522 555 A 4.0328 8.4959 120.9597 54.8790 18.2405 179.5464 556 A 4.0471 8.1431 119.6097 55.1074 18.4270 179.7580 557 I 3.5957 8.2372 118.8091 64.8651 37.0062 178.5889 558 Q 3.8370 8.1339 117.9422 59.0992 28.6248 178.8332 559 A 4.3387 7.6847 117.2136 52.3068 19.0127 178.1124 560 G 3.9520 8.1508 104.6906 44.8272 0.0000 174.3424 561 L 4.1679 7.3074 119.4662 54.8654 42.4761 176.9296 562 K 4.3833 9.3476 121.3927 57.3937 34.0234 176.8042 563 K 5.3002 7.9342 117.8489 54.3176 36.2925 175.8396 564 V 4.8795 8.7176 122.4084 60.1327 34.5640 174.3686 565 I 4.7908 9.0130 127.4548 60.2282 38.7983 175.0683 566 I 5.1221 8.5384 119.4192 58.1391 41.7549 172.8962 567 P 4.6597 0.0000 0.0000 62.4201 32.0986 177.2459 568 K 3.7910 9.2573 125.9417 60.2330 31.8840 178.7751 569 D 4.5154 8.0428 116.0915 56.5340 41.1682 177.2233 570 N 4.7010 8.0723 116.3151 53.3465 38.6142 176.6552 571 I 3.7123 7.8045 123.8383 64.4670 37.1531 177.6442 572 D 4.5314 8.0701 115.7436 55.1308 39.2655 176.1902 573 D 4.6365 7.7234 118.4335 54.0716 41.3444 176.7256 574 V 3.8479 7.7038 120.4428 62.2464 30.8789 176.7195 575 L 4.4930 8.3972 134.2519 53.6134 40.7501 177.7980 576 L 4.2713 7.5108 118.6235 54.4477 43.4093 177.2791 577 D 5.0679 8.2607 123.1699 52.0767 41.5985 176.2613 578 A 4.2668 8.5077 120.3768 54.1193 18.9967 178.7795 579 E 4.2453 8.1477 115.1565 59.1044 30.1137 177.5350 580 H 4.5729 8.0466 113.7122 56.8713 29.3476 175.7109 581 E 4.5557 8.1613 120.1612 53.7961 26.9842 176.7998 582 G 5.1350 7.6852 123.5402 46.9154 0.0000 171.6412 583 K 4.1337 7.4796 118.8690 58.4391 32.3871 176.7899 584 I 4.7193 7.1876 116.9870 59.1731 41.4443 173.9875 585 E 4.2112 8.9291 129.5723 55.6612 30.4176 175.4776 586 V 4.3515 8.3472 128.0556 62.3558 32.7912 175.1161 587 I 4.4606 8.7190 129.5998 58.8557 39.2673 172.8689 588 P 5.1075 0.0000 0.0000 62.3423 32.5822 176.0477 589 V 4.6025 8.5698 114.6996 60.1111 35.9106 175.6369 590 S 4.6016 10.7700 117.6979 59.3867 64.9198 174.2489 591 R 5.0701 7.9405 116.0631 53.2071 34.2166 175.6306 592 I 3.7047 8.3808 120.2273 64.1301 37.6940 178.1810 593 N 3.9576 7.9853 117.7284 55.7880 37.0759 176.9193 594 E 3.9202 7.9860 120.4901 58.9369 29.5957 179.5699 595 V 3.6545 7.6324 117.8257 66.0324 31.7087 177.8324 596 L 3.9223 7.7048 118.6878 57.9613 41.2031 179.3808 597 E 3.8638 8.2496 117.6986 59.1843 29.4592 178.2765 598 H 4.7388 7.6503 112.1356 56.1434 29.6621 175.8895 599 V 4.4075 7.5796 112.8858 61.7549 34.6891 176.2009 600 L 4.6851 8.0843 120.1865 54.1367 42.2369 177.0726 601 E 3.8601 8.9865 125.0645 56.0930 29.9909 176.6189 602 D 4.3784 8.6918 126.7764 53.8436 41.7613 176.5626 603 G 4.1142 8.2734 109.0280 44.0382 0.0000 173.4123 604 K 4.0178 8.0994 118.3424 59.1561 31.8330 179.8453 605 K 3.9825 7.9367 118.5984 59.1206 32.1929 178.8723 606 K 3.8417 8.0222 119.4132 59.7748 31.7877 178.2605 607 N 4.3304 8.0985 116.5298 56.3073 38.2323 177.1519 608 R 3.9087 7.7953 118.9807 59.4936 30.2484 177.9613 609 L 4.2623 7.8130 119.6579 58.3416 41.8370 178.7290 610 M 4.1286 8.6871 118.8394 57.7626 32.1004 178.1648 611 S 4.1804 7.6627 111.7391 59.5733 63.7190 175.5796 612 K 4.1724 7.9202 120.8327 58.7560 32.2945 177.8329 613 F 4.5172 7.6865 119.0205 54.8057 37.4120 175.7491 614 K 4.1252 7.7636 124.4020 56.8031 31.8352 175.0628 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 417 K 8.31 4.59 0.00 1.60 1.67 0.00 1.56 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.79 1.17 7.81 418 L 8.91 4.09 0.00 1.89 1.88 0.90 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 419 F 8.99 5.02 0.00 3.17 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 0.00 420 I 8.29 4.05 1.85 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 1.46 0.56 0.94 0.00 0.00 421 T 8.14 4.62 4.16 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 1.06 0.00 0.00 422 E 7.75 4.36 0.00 1.83 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.25 0.00 423 G 8.28 3.99 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 0.00 0.00 0.00 424 Y 8.22 5.15 0.00 2.82 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 0.00 425 E 8.91 4.76 0.00 1.87 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 2.22 2.38 0.00 426 V 8.56 3.73 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 1.02 0.00 0.00 0.95 0.00 0.00 427 G 9.87 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 0.00 0.00 0.00 428 R 7.49 5.18 0.00 1.90 1.78 0.00 3.23 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 429 V 8.71 4.47 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 1.02 0.00 0.00 0.97 0.00 0.00 430 N 8.94 4.85 0.00 2.90 2.83 0.00 0.00 7.00 7.58 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 0.00 431 G 8.62 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 0.00 0.00 0.00 0.00 432 L 8.13 5.41 0.00 1.50 1.49 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 433 A 8.80 4.77 1.05 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 0.00 0.00 434 V 8.13 4.68 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 0.97 0.00 0.00 0.89 0.00 0.00 435 I 8.67 4.14 1.81 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 1.21 0.83 0.72 0.00 0.00 436 G 8.08 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 0.00 437 E 8.98 4.09 0.00 1.92 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 2.28 2.34 0.00 438 S 7.81 4.44 0.00 3.86 3.78 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 0.00 439 A 7.99 3.89 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 0.00 440 G 8.62 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 0.00 441 I 8.21 4.67 1.30 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.55 0.57 0.00 0.00 442 V 8.07 4.09 1.87 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 0.92 0.00 0.00 1.06 0.00 0.00 443 L 9.46 4.66 0.00 1.52 1.45 1.07 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 444 P 0.00 5.02 0.00 2.23 2.07 0.00 3.91 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 2.28 2.27 0.00 445 I 8.87 5.06 1.86 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.07 0.69 0.00 0.00 446 I 8.75 4.98 1.83 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 1.17 0.86 0.90 0.00 0.00 447 A 9.08 5.25 1.14 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 0.00 0.00 448 E 9.11 4.69 0.00 2.04 1.72 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 2.16 2.33 0.00 449 V 8.46 5.04 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 0.76 0.00 0.00 0.94 0.00 0.00 450 T 8.84 4.63 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 1.25 0.00 0.00 451 P 0.00 4.68 0.00 2.11 2.11 0.00 3.85 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 452 S 8.76 4.39 0.00 3.92 4.19 0.00 0.00 0.00 0.00 0.00 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0.00 472 E 8.63 3.89 0.00 2.09 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 2.33 2.35 0.00 473 A 8.44 4.01 1.46 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 0.00 0.00 0.00 474 V 7.98 3.51 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 1.07 0.00 0.00 0.97 0.00 0.00 475 M 8.17 3.95 0.00 2.28 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.63 0.00 476 N 8.15 4.44 0.00 2.93 2.88 0.00 0.00 6.82 7.17 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 0.00 477 V 8.21 3.71 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 0.97 0.00 0.00 0.99 0.00 0.00 478 S 8.52 4.14 0.00 4.08 3.99 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 0.00 479 A 7.89 4.05 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 0.00 480 I 7.77 3.87 2.14 0.00 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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 0.00 514 I 7.86 3.74 2.05 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.93 0.91 0.00 0.00 515 A 8.09 4.03 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 0.00 516 T 8.52 3.92 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 1.20 0.00 0.00 517 A 7.94 3.97 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 518 V 7.96 3.52 2.21 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 1.13 0.00 0.00 0.96 0.00 0.00 519 I 7.81 3.73 1.88 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 1.48 0.69 0.94 0.00 0.00 520 S 8.43 4.07 0.00 3.89 4.11 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 0.00 0.00 0.00 521 A 7.90 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 2.55 2.40 0.00 530 S 8.13 4.60 0.00 3.97 4.07 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 0.00 0.00 0.00 531 V 7.23 4.84 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 0.76 0.00 0.00 0.94 0.00 0.00 532 A 9.02 5.19 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 0.00 533 M 8.72 5.34 0.00 2.05 2.12 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 2.48 2.47 0.00 534 T 8.59 4.58 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 1.25 0.00 0.00 535 G 7.51 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 0.00 536 S 7.93 5.42 0.00 3.76 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 537 L 8.42 5.13 0.00 1.65 1.70 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 538 S 8.65 4.58 0.00 3.99 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 0.00 539 V 8.40 3.72 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 0.81 0.00 0.00 0.96 0.00 0.00 540 K 8.00 4.18 0.00 1.79 1.92 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.47 7.81 541 G 8.46 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 0.00 542 E 8.35 4.74 0.00 1.94 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 2.35 2.42 0.00 543 V 8.44 4.47 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 0.76 0.00 0.00 0.92 0.00 0.00 544 L 9.11 4.77 0.00 1.61 1.56 0.93 0.92 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 0.00 545 P 0.00 4.73 0.00 2.07 2.06 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 546 V 8.54 4.45 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 0.69 0.00 0.00 1.00 0.00 0.00 547 G 8.47 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 0.00 0.00 0.00 548 G 8.53 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 0.00 0.00 0.00 0.00 549 V 7.80 3.61 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 1.05 0.00 0.00 1.00 0.00 0.00 550 T 7.81 3.88 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 1.20 0.00 0.00 551 Q 7.95 3.94 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.58 2.49 0.00 552 K 8.03 3.81 0.00 1.95 1.86 0.00 1.73 0.00 0.00 1.62 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.68 7.81 553 I 7.75 3.76 2.00 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 1.52 0.94 0.92 0.00 0.00 554 E 8.45 4.04 0.00 2.01 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 2.30 2.37 0.00 555 A 8.50 4.03 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 0.00 556 A 8.14 4.05 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 0.00 557 I 8.24 3.60 2.02 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 1.45 0.66 0.72 0.00 0.00 558 Q 8.13 3.84 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 559 A 7.68 4.34 1.51 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 0.00 0.00 0.00 560 G 8.15 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 0.00 0.00 0.00 561 L 7.31 4.17 0.00 1.75 1.74 1.01 1.08 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 0.00 562 K 9.35 4.38 0.00 1.60 1.81 0.00 1.59 0.00 0.00 1.82 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.52 7.81 563 K 7.93 5.30 0.00 1.63 1.62 0.00 1.59 0.00 0.00 1.86 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.37 7.81 564 V 8.72 4.88 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 0.79 0.00 0.00 0.92 0.00 0.00 565 I 9.01 4.79 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 1.23 0.89 0.94 0.00 0.00 566 I 8.54 5.12 1.86 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 1.21 0.72 0.90 0.00 0.00 567 P 0.00 4.66 0.00 2.19 2.07 0.00 3.77 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.19 0.00 568 K 9.26 3.79 0.00 1.76 1.84 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.52 7.81 569 D 8.04 4.52 0.00 2.69 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 0.00 570 N 8.07 4.70 0.00 2.91 2.82 0.00 0.00 6.82 6.68 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 0.00 571 I 7.80 3.71 1.92 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 1.57 0.96 0.91 0.00 0.00 572 D 8.07 4.53 0.00 2.78 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 0.00 573 D 7.72 4.64 0.00 2.84 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 574 V 7.70 3.85 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 0.76 0.00 0.00 0.93 0.00 0.00 575 L 8.40 4.49 0.00 1.62 1.62 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 576 L 7.51 4.27 0.00 1.62 1.61 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 577 D 8.26 5.07 0.00 2.79 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 0.00 578 A 8.51 4.27 1.30 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 0.00 0.00 0.00 579 E 8.15 4.25 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 580 H 8.05 4.57 0.00 3.38 3.32 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 581 E 8.16 4.56 0.00 2.15 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 2.35 2.48 0.00 582 G 7.69 5.14 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 0.00 0.00 0.00 583 K 7.48 4.13 0.00 1.63 1.81 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.36 7.81 584 I 7.19 4.72 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 1.25 0.87 0.90 0.00 0.00 585 E 8.93 4.21 0.00 2.14 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 2.28 2.28 0.00 586 V 8.35 4.35 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 0.83 0.00 0.00 0.92 0.00 0.00 587 I 8.72 4.46 1.78 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.58 0.64 0.00 0.00 588 P 0.00 5.11 0.00 2.04 2.03 0.00 3.42 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 1.95 2.09 0.00 589 V 8.57 4.60 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 0.66 0.00 0.00 1.00 0.00 0.00 590 S 10.77 4.60 0.00 3.96 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 591 R 7.94 5.07 0.00 2.01 1.85 0.00 3.28 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 592 I 8.38 3.70 1.88 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 1.60 1.16 0.95 0.00 0.00 593 N 7.99 3.96 0.00 2.70 2.76 0.00 0.00 6.30 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 0.00 594 E 7.99 3.92 0.00 2.16 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 0.00 2.32 2.30 0.00 595 V 7.63 3.65 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 1.06 0.00 0.00 0.92 0.00 0.00 596 L 7.70 3.92 0.00 1.63 1.52 0.39 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 597 E 8.25 3.86 0.00 1.98 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 598 H 7.65 4.74 0.00 3.13 3.32 0.00 5.79 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 0.00 599 V 7.58 4.41 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 0.82 0.00 0.00 1.00 0.00 0.00 600 L 8.08 4.69 0.00 1.63 1.60 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 601 E 8.99 3.86 0.00 1.83 1.67 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 1.88 1.47 0.00 602 D 8.69 4.38 0.00 2.63 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 0.00 603 G 8.27 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 604 K 8.10 4.02 0.00 1.77 1.87 0.00 1.68 0.00 0.00 1.81 0.00 0.00 3.19 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.46 7.81 605 K 7.94 3.98 0.00 1.79 1.85 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.48 7.81 606 K 8.02 3.84 0.00 1.96 1.91 0.00 1.86 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.52 7.81 607 N 8.10 4.33 0.00 2.94 2.85 0.00 0.00 6.70 7.76 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 0.00 608 R 7.80 3.91 0.00 2.06 2.00 0.00 3.44 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 609 L 7.81 4.26 0.00 1.96 1.81 1.13 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 610 M 8.69 4.13 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.75 0.00 611 S 7.66 4.18 0.00 4.01 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 0.00 612 K 7.92 4.17 0.00 2.11 2.15 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.50 1.46 7.81 613 F 7.69 4.52 0.00 2.78 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 0.00 614 K 7.76 4.13 0.00 1.74 1.75 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.45 7.81 * Residues marked with a * may have inaccurate shift predictions.