NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 389 K 4.3581 8.1733 120.1034 56.2057 34.1618 174.5835 390 I 4.0718 8.5596 126.4090 60.0938 36.4233 174.2235 391 K 4.0712 9.0016 131.7163 59.0495 32.9796 176.3020 392 A 4.7024 7.4073 118.9534 50.9505 22.9784 174.1598 393 C 5.2512 8.4401 119.1343 57.3256 33.9739 173.7211 394 I 4.0656 8.7196 128.5217 60.9431 37.2657 176.1404 395 D 4.7804 8.2912 128.4381 52.9017 39.8948 176.2989 *401 L 4.4695 8.3171 122.2385 56.2103 43.9594 178.1384 402 E 3.8127 8.0289 115.7528 59.1768 29.9819 178.2967 403 E 4.0138 7.9419 120.1481 59.1560 29.7509 178.5435 404 T 4.0080 7.6952 108.9229 64.0226 68.9322 176.4445 405 K 4.5059 7.3824 122.7632 58.3751 31.6680 178.9439 406 F 4.4076 7.1166 116.6951 60.3189 38.8995 177.3506 407 L 4.0403 7.8150 118.0288 55.0675 41.9871 177.3256 408 T 4.2413 6.8309 116.8159 62.7075 72.4703 170.8875 409 N 4.4468 8.7656 123.8818 52.7019 35.5658 177.7564 410 K 4.4782 9.1833 114.6586 56.1580 33.8073 175.2159 411 L 5.3465 8.6320 122.8232 52.8941 45.3055 175.4288 412 L 4.7991 8.5976 124.9602 53.6102 43.1479 175.4683 413 L 4.3629 8.5879 127.0636 52.9381 44.7274 175.6972 414 F 5.5725 8.3377 118.7510 55.8510 42.4660 174.3930 415 A 5.5082 9.0076 123.5242 50.5297 23.3174 174.6780 416 D 5.2507 8.4461 119.3248 52.1784 41.7164 176.6037 417 I 3.9727 8.5829 117.9846 64.9745 37.1497 178.5063 418 N 4.2668 8.2362 115.9227 55.3956 38.4493 175.8694 419 G 4.2207 7.9994 104.0430 44.9874 0.0000 173.4588 420 K 4.1634 8.2304 122.1592 55.4457 32.9163 176.3137 421 L 4.7432 8.2625 126.0445 54.6467 42.4976 176.5829 422 Y 4.1676 9.1207 119.7080 57.9470 38.7615 176.6084 423 H 4.0778 9.2473 122.0864 60.0282 29.5990 177.3312 424 D 4.4370 8.2423 118.3640 57.5509 40.9169 178.4902 425 S 4.3393 8.1985 114.7870 60.9339 62.7115 176.2239 426 Q 3.9401 8.3275 123.0706 59.0627 28.5656 177.6973 427 N 4.3990 7.7875 116.8291 56.0893 38.6447 176.9287 428 M 4.1883 7.4386 118.6570 56.5512 32.4039 176.8628 429 L 4.3873 6.9356 118.9134 54.7220 42.9485 177.2745 430 R 4.5695 9.0577 119.5181 55.2417 30.3299 175.6075 431 G 3.9335 7.8030 101.8143 46.5870 0.0000 172.1008 432 E 4.3187 7.9915 116.9302 54.6002 31.0089 176.5263 433 D 4.5145 8.5525 120.4948 55.0889 40.5219 175.6030 434 M 4.6138 8.3928 127.6525 55.6679 32.2852 178.6147 435 S 4.3824 8.2065 118.0403 60.9944 63.0037 175.8844 436 F 4.3889 8.4137 116.3716 59.5791 37.6732 176.7065 437 L 3.9290 6.9339 119.7424 57.0485 42.0524 177.2751 438 E 4.3140 7.5576 116.3939 57.1839 29.9116 177.6991 439 K 4.2441 8.0661 117.0317 58.7241 32.2405 176.9907 440 D 4.7717 7.7393 115.6619 53.4858 42.0635 175.5930 441 A 3.4421 7.5421 121.3241 50.9040 19.0236 176.2442 442 P 4.4450 0.0000 0.0000 62.6942 32.7793 174.7835 443 Y 4.9085 8.5297 118.0626 56.7182 41.1499 175.2306 444 M 4.5387 8.8901 120.3138 53.4954 33.9769 176.2466 445 V 3.7904 8.1386 120.9237 64.5956 31.8597 176.1824 446 G 4.0674 9.0008 115.8788 44.9576 0.0000 172.7930 447 D 4.5681 8.1559 121.0104 54.0304 41.9535 175.3578 448 V 4.7390 8.4213 123.6840 61.2578 33.3232 174.6244 449 I 4.6742 9.0814 128.9640 59.8257 39.9389 174.7121 450 T 5.0005 8.6448 122.7567 62.0006 71.7591 174.4965 451 S 4.1424 8.5117 120.0609 56.3718 64.0344 175.5185 452 G 3.8513 8.3202 119.7731 46.2482 0.0000 173.0967 453 D 4.4623 8.9131 127.0656 55.9479 41.7486 175.9509 454 I 4.2477 7.6198 120.8699 61.5370 38.2824 175.2334 455 T 5.0730 8.9654 124.1357 61.8773 71.6813 172.9711 456 C 5.4276 9.6772 124.1396 57.7507 32.0701 173.3788 457 V 4.7938 8.3450 121.9650 59.7840 34.4017 174.7925 458 V 4.4776 8.5332 125.2602 62.5057 32.1361 174.8811 459 I 4.8274 8.1860 122.0126 58.4829 39.6950 173.8976 460 P 4.6052 0.0000 0.0000 62.9699 32.7044 175.2648 461 S 4.6979 8.5308 116.2813 56.8160 63.5233 174.7633 462 K 4.0296 8.7438 128.5690 58.5883 32.1615 178.8026 463 K 3.9339 7.9466 116.3953 58.9813 32.6525 177.1480 464 A 4.4098 7.6895 120.5429 51.8057 19.0736 177.3780 465 G 4.0372 8.1822 105.2113 45.1494 0.0000 175.0531 466 G 3.7887 8.6150 110.2104 46.1565 0.0000 173.2029 467 T 4.5401 8.1712 112.5073 59.9920 72.6344 175.9756 468 T 3.9402 8.3567 117.6773 66.8768 68.5463 176.8509 469 E 4.0123 8.1552 120.0730 59.6022 29.4243 179.1585 470 M 4.0975 7.8154 117.9110 58.1293 32.0178 178.6204 471 L 3.7779 7.8102 120.3099 58.2089 42.1474 178.9396 472 S 4.0394 7.9941 113.0571 61.3514 61.9995 176.1264 473 R 3.9049 7.7604 120.4000 59.1284 29.9941 178.0135 474 A 4.1554 7.8661 120.5546 54.8752 18.2451 179.5876 475 L 4.0077 8.0163 117.6478 57.5591 41.4791 179.3007 476 K 4.2247 7.5731 117.1124 58.1089 32.1359 178.5361 477 K 4.2254 7.4754 117.9095 56.4770 32.6171 177.1382 478 V 3.8441 7.0187 120.2516 61.2610 32.1005 173.8060 479 P 4.2841 0.0000 0.0000 62.3078 31.6856 175.4404 480 V 3.7251 8.3211 122.5278 63.6685 32.0888 173.9073 481 D 4.4558 8.4431 126.9689 53.8854 44.6844 172.6328 482 E 4.9393 8.2860 118.4192 55.4163 30.6982 175.7228 483 Y 5.1231 9.0324 121.4238 56.3672 42.9975 174.2674 484 I 4.9791 8.6705 123.4150 60.4413 39.3666 174.9562 485 T 4.8572 9.1471 121.6593 61.1317 71.7149 171.4017 486 T 4.7745 8.2387 112.2936 59.6645 72.0049 172.9057 487 Y 4.3133 8.3669 119.3466 56.5688 38.5902 174.0638 488 P 3.3377 0.0000 0.0000 63.1550 32.7699 175.6970 489 G 3.7940 7.7465 108.3107 46.4235 0.0000 172.3577 490 Q 4.9986 7.9631 116.9082 54.4900 32.1586 176.1861 491 G 4.0673 8.3589 106.2099 46.3415 0.0000 172.7397 492 C 4.2547 7.6772 120.2164 56.9425 42.9506 173.2553 493 A 3.6596 8.7132 129.0914 52.4320 16.5771 177.9642 494 G 3.9907 7.1892 102.8134 45.8353 0.0000 173.4118 495 Y 4.6798 7.9079 118.2760 58.1089 38.6974 176.3995 496 T 4.2652 8.5672 113.1233 60.3153 70.4993 175.5270 497 L 3.5792 8.0258 122.8606 58.2201 41.5464 179.0577 498 E 3.9277 7.9348 118.1704 59.2350 29.4919 178.9919 499 E 3.9669 7.9776 118.6673 59.2350 29.6932 179.1655 500 A 3.8226 8.1719 121.1154 54.7445 18.4185 179.5115 501 K 4.0091 8.0541 118.1981 60.1967 32.2967 179.2270 502 T 3.9007 7.6546 115.3027 66.4267 68.0897 176.6127 503 A 3.9327 7.5421 121.4719 55.1560 18.3102 179.4243 504 L 3.9521 7.7728 117.2573 57.7925 41.4681 179.8779 505 K 4.0987 7.9965 117.5366 59.1129 32.0101 178.9540 506 K 4.1099 8.0622 119.2221 58.0208 32.4966 176.9410 507 C 4.4159 7.1202 118.3333 59.0017 32.0655 173.6968 508 K 4.1503 8.5069 124.0191 58.9764 32.2603 177.9626 509 S 4.3531 7.8381 114.5473 58.0810 64.3947 172.9541 510 A 4.6424 8.1380 124.3188 50.7653 20.6960 176.3530 511 F 5.4274 8.6304 120.0438 55.8827 43.1484 174.1485 512 Y 4.8279 9.2930 120.9334 56.4844 39.8449 174.6778 513 V 4.4425 8.5176 125.8407 61.4050 32.9735 175.0191 514 L 4.7073 8.7544 129.3176 53.3130 42.4061 175.4996 515 P 4.7501 0.0000 0.0000 62.3806 33.8380 177.7651 516 S 4.2551 8.9503 117.4474 59.0344 61.3178 176.2767 *524 E 4.1063 9.1986 116.9212 55.6155 30.4791 175.1547 525 I 3.9204 8.3800 126.1237 64.6157 37.4442 178.3897 526 L 4.0242 7.6247 118.9643 57.4447 41.7217 178.4743 527 G 3.6160 7.9759 106.0487 47.0022 0.0000 172.9641 528 T 4.5731 7.3199 116.7928 63.1173 68.8790 174.5721 529 V 4.0946 8.4035 119.7926 58.9970 35.6084 175.3037 530 S 5.2008 7.8899 114.1609 55.3401 61.0037 172.6123 531 W 5.2212 8.4024 121.6867 54.5180 32.0210 176.5635 532 N 4.8646 8.9853 120.3822 51.5923 39.7525 176.0172 533 L 4.0257 8.4415 120.8142 58.4157 41.8629 178.5897 534 R 3.9220 8.1150 117.9804 59.5498 29.9595 178.1640 535 E 3.8030 8.3317 118.0028 59.7422 29.4516 179.3394 536 M 4.3750 8.4766 118.9511 58.4847 32.0243 178.8900 537 L 4.1346 8.4483 119.2364 57.5896 41.5848 179.4109 538 A 4.2834 7.8138 122.3986 54.8625 18.3303 179.1853 539 H 4.2749 8.2642 117.7732 58.7978 29.8689 177.4444 540 A 4.0209 8.1669 123.0193 54.9681 18.0191 179.4510 541 E 3.9339 8.3123 116.5460 59.0329 29.1933 179.0534 542 E 4.1213 7.9133 118.7186 58.9763 29.8716 178.4774 543 T 4.0296 7.9625 109.6795 61.5170 68.8740 175.6805 544 R 4.1378 7.4554 119.7645 56.9606 29.1716 175.8769 545 K 4.3009 7.1878 114.6254 55.6157 33.1979 176.4712 546 L 4.3691 8.4844 124.3933 55.1093 43.6873 175.4409 547 M 4.9856 8.7543 125.5443 52.2347 34.3747 172.6586 548 P 5.3879 0.0000 0.0000 62.6317 32.4266 176.2031 549 I 4.7099 9.2200 125.7818 59.4126 40.9015 174.2863 550 C 3.7016 8.3851 127.2716 58.8414 31.7089 174.2135 551 M 3.8925 8.8575 127.6781 58.3494 31.6960 177.1190 552 D 4.4747 7.8280 116.0861 54.3489 41.0997 177.0014 553 V 4.0968 7.1164 120.4427 61.0599 31.8619 175.9601 554 R 3.8597 8.3776 125.8666 59.1672 29.6451 178.5253 555 A 3.9833 7.9135 119.8384 55.2675 18.4318 179.6707 556 I 3.7991 7.6400 117.7798 64.8099 37.3523 178.3909 557 M 3.9848 8.1472 119.3164 58.1720 31.6334 178.7597 558 A 3.9669 7.9630 120.9975 55.5337 18.5842 179.8637 559 T 3.8986 7.6099 113.0247 66.7019 68.4503 177.1412 560 I 4.0149 7.8696 121.8462 64.6754 37.0320 178.5369 561 Q 4.4099 8.2210 118.3953 58.3760 28.2352 178.6850 562 R 4.0539 7.6263 118.3798 58.4187 30.4539 178.1955 563 K 4.1230 7.9515 118.4573 57.5499 33.5131 176.4902 564 Y 4.8122 7.9834 117.4529 55.7579 37.6365 174.7914 565 K 4.3521 7.5754 121.2757 56.9186 33.1372 177.7304 566 G 3.9259 8.8774 110.4275 45.4022 0.0000 173.2903 567 I 2.7174 7.1542 119.2462 60.1259 38.4501 175.8904 568 K 4.1614 7.7822 128.7856 54.2124 31.1515 174.1105 569 I 3.4222 7.6574 124.3284 60.8599 37.2654 175.5149 570 Q 4.4503 8.0513 125.1499 53.7452 32.2766 173.6849 571 E 4.1211 8.4966 123.1609 57.4798 30.9508 177.3218 572 G 3.7367 8.7044 112.0485 44.2467 0.0000 172.1790 573 I 4.4416 8.2742 123.2040 61.4921 38.0294 176.3107 574 V 4.2888 9.0727 127.0602 61.2563 34.0313 173.7836 575 D 4.9870 8.7960 128.5944 53.6005 41.3351 175.6418 576 Y 4.5074 8.8206 127.6344 57.1370 39.9437 173.8538 577 G 4.2577 8.6510 118.0789 44.6865 0.0000 171.3477 578 V 3.9753 6.5638 119.4406 59.9422 33.8121 175.0212 579 R 4.1813 7.8730 125.5427 55.7958 29.5232 175.4330 580 F 4.8030 9.0195 123.0369 56.6435 41.1893 174.7670 581 F 5.0393 9.1250 124.0654 56.4440 41.4198 173.1247 582 F 5.2927 8.7269 125.9460 56.7663 40.0046 174.6023 583 Y 5.1746 8.6375 122.2293 55.3169 41.2936 174.9100 584 T 4.9590 8.5050 110.4991 60.0920 71.2351 174.6390 585 S 4.0631 9.4552 116.1377 59.1538 63.7161 175.5691 586 K 3.9940 7.9646 122.5302 59.2517 32.2694 176.7700 587 E 4.1179 7.7015 119.4893 55.0906 30.2159 175.2571 588 P 4.4644 0.0000 0.0000 62.5007 33.3821 177.6353 589 V 3.4811 8.3383 119.7325 66.2215 31.7240 178.4506 590 A 3.9695 7.9941 119.9179 54.9518 18.1820 179.3726 591 S 4.1174 7.8869 111.5806 61.2983 62.5489 176.3166 592 I 3.7921 7.7204 122.5458 64.4947 36.9366 178.3206 593 I 3.6332 7.8901 120.8357 64.7890 37.0120 178.6438 594 T 3.8696 7.8281 116.1704 66.5975 68.0539 176.9529 595 K 4.0424 7.8702 120.0263 59.1975 32.0666 179.2771 596 L 3.8074 7.8038 119.2094 57.2027 41.4201 179.0170 597 N 4.3620 7.9765 115.9685 56.0130 38.5123 177.1299 598 S 4.2080 7.7147 113.7412 61.3947 62.5950 175.9967 599 L 3.9442 7.5989 120.4979 55.7165 42.3841 176.9008 600 N 3.9709 7.2695 116.1830 54.6408 37.6060 172.5095 601 E 4.6760 7.4103 117.5979 53.9315 32.9342 174.4617 602 P 4.7607 0.0000 0.0000 62.5340 32.7291 175.6657 603 L 5.3872 9.1306 123.5903 52.9981 45.8201 176.3590 604 V 4.7547 8.4951 119.6925 60.8140 33.9712 173.9758 605 T 4.9828 8.8803 120.1713 61.1234 71.6991 172.0254 606 M 5.0094 8.3991 122.2982 51.8014 34.9075 174.5164 607 P 4.1838 0.0000 0.0000 62.7325 31.3574 176.3569 608 I 3.9085 8.3836 125.0372 63.4437 37.4132 176.4415 609 G 4.1910 9.3580 114.0018 45.4430 0.0000 172.3597 610 Y 4.7379 7.8434 121.3444 59.0293 39.1714 174.5995 611 V 3.5342 8.8738 132.5319 63.6925 31.8481 173.5841 612 T 3.8200 7.9287 108.0932 64.5927 68.3282 174.2482 613 H 4.4397 8.4701 115.5938 55.0271 29.2270 175.1205 614 G 3.8575 7.9832 107.8060 45.2732 0.0000 173.6994 615 F 5.3422 7.9811 117.7724 55.8874 40.3538 175.2360 616 N 5.2576 8.6519 122.0469 51.4209 40.4694 175.7788 617 L 3.7666 8.7198 121.3484 58.3488 41.5819 178.2697 618 E 2.7692 7.6107 118.2942 59.1319 28.9693 178.5711 619 E 3.6204 8.0393 117.8758 59.2398 29.5449 179.3198 620 A 3.9131 8.0502 120.5332 54.8572 18.5608 179.5703 621 A 3.9461 7.9161 119.5450 55.2303 18.1208 180.1058 622 R 3.8793 7.2815 115.7345 59.5930 30.2820 178.3614 623 C 4.4137 7.7444 115.5628 59.9865 40.9881 175.9274 624 M 3.9085 7.9287 119.8934 57.8923 31.2407 178.7654 625 R 3.9475 7.3130 116.7561 59.1932 30.3063 178.3576 626 S 4.4830 7.5772 112.4087 58.2407 63.0076 173.8908 627 L 4.3663 7.4223 125.0986 54.4127 41.7168 176.2479 628 R 4.2148 9.2526 126.1962 57.5049 30.9343 177.5039 629 A 4.0785 7.9868 121.1168 50.8022 19.1242 175.0624 630 P 4.3779 0.0000 0.0000 63.7240 31.8855 175.1548 631 A 5.0591 8.4618 124.1212 50.2559 22.9771 175.4133 632 V 4.1118 8.6465 120.8066 61.2815 33.2987 174.8002 633 V 4.4384 8.2519 129.6436 61.7879 32.6393 174.3751 634 S 4.9051 8.9283 123.8091 56.8001 64.2642 173.4192 635 V 3.8628 8.2551 120.0303 59.6787 34.4183 175.6320 636 S 4.1462 9.0012 117.1912 60.9574 63.1811 175.6264 637 S 4.6696 7.7565 114.2399 56.8455 65.2071 173.9541 638 P 4.4204 0.0000 0.0000 64.9301 30.8430 178.5378 639 D 4.4277 8.0680 117.8469 56.5582 40.8228 177.9024 640 A 4.3438 7.7112 122.2100 53.4159 18.5268 179.5357 641 V 3.4999 7.2802 117.0560 66.6770 31.6749 178.3953 642 T 3.9018 7.8325 108.7212 64.8670 68.4270 176.4797 643 T 3.5023 7.2935 115.3241 66.6199 68.5474 176.0149 644 Y 4.2003 8.4465 121.7712 60.9408 38.8514 177.9599 645 N 4.4286 8.4744 117.4244 55.7759 38.5892 177.8148 646 G 3.3494 7.6446 107.3362 47.9946 0.0000 175.6141 647 Y 4.3017 7.4182 118.1046 60.2165 37.8379 177.9297 648 L 3.9128 7.3705 120.9974 58.0806 42.2637 178.5262 649 T 3.9759 7.4660 111.8189 65.2356 67.6771 174.7901 650 S 4.3974 7.6360 115.2962 57.6800 63.8669 173.7953 651 S 4.2746 8.1631 115.3931 58.3621 63.7936 174.1329 652 S 4.1812 8.3254 114.3825 58.6354 62.1988 173.8073 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 389 K 8.17 4.36 0.00 1.69 1.81 0.00 1.61 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.65 7.81 390 I 8.56 4.07 1.92 0.00 0.00 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 1.29 0.69 0.97 0.00 0.00 391 K 9.00 4.07 0.00 1.42 1.18 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.12 1.26 7.81 392 A 7.41 4.70 1.34 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 0.00 0.00 0.00 393 C 8.44 5.25 0.00 3.02 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 0.00 394 I 8.72 4.07 1.91 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.59 0.93 0.00 0.00 395 D 8.29 4.78 0.00 2.72 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 *401 L 8.32 4.47 0.00 1.74 1.70 0.88 1.06 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 0.00 402 E 8.03 3.81 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 403 E 7.94 4.01 0.00 2.05 1.96 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 2.47 2.47 0.00 404 T 7.70 4.01 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 1.17 0.00 0.00 405 K 7.38 4.51 0.00 1.58 1.67 0.00 1.52 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.39 7.81 406 F 7.12 4.41 0.00 3.09 2.92 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 0.00 0.00 0.00 407 L 7.81 4.04 0.00 1.60 1.21 0.75 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 408 T 6.83 4.24 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 1.13 0.00 0.00 409 N 8.77 4.45 0.00 2.73 2.32 0.00 0.00 7.07 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 0.00 410 K 9.18 4.48 0.00 1.59 1.59 0.00 1.38 0.00 0.00 1.44 0.00 0.00 2.89 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.43 1.32 7.81 411 L 8.63 5.35 0.00 1.61 1.52 0.91 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 412 L 8.60 4.80 0.00 1.32 1.33 0.60 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.89 0.00 0.00 479 P 0.00 4.28 0.00 2.29 2.10 0.00 3.89 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.02 0.00 480 V 8.32 3.73 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 1.09 0.00 0.00 0.95 0.00 0.00 481 D 8.44 4.46 0.00 2.59 1.76 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 0.00 482 E 8.29 4.94 0.00 1.80 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 483 Y 9.03 5.12 0.00 3.02 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 0.00 484 I 8.67 4.98 1.91 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 1.07 0.95 0.94 0.00 0.00 485 T 9.15 4.86 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 486 T 8.24 4.77 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 487 Y 8.37 4.31 0.00 3.00 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 0.00 488 P 0.00 3.34 0.00 1.21 0.49 0.00 3.75 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.35 0.00 489 G 7.75 3.79 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 0.00 0.00 0.00 490 Q 7.96 5.00 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 491 G 8.36 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 0.00 0.00 0.00 492 C 7.68 4.25 0.00 3.07 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 493 A 8.71 3.66 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 0.00 494 G 7.19 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 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7.96 4.03 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 1.03 0.00 0.00 544 R 7.46 4.14 0.00 1.88 2.00 0.00 3.27 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 545 K 7.19 4.30 0.00 1.54 1.85 0.00 1.86 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.38 7.81 546 L 8.48 4.37 0.00 1.94 1.47 0.99 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 547 M 8.75 4.99 0.00 2.00 1.82 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.49 0.00 548 P 0.00 5.39 0.00 2.20 2.31 0.00 3.94 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 2.05 2.15 0.00 549 I 9.22 4.71 1.89 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.42 1.07 0.00 0.00 550 C 8.39 3.70 0.00 2.53 2.61 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 0.00 0.00 0.00 0.00 551 M 8.86 3.89 0.00 1.83 2.13 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 585 S 9.46 4.06 0.00 3.84 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 586 K 7.96 3.99 0.00 1.72 1.86 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.41 7.81 587 E 7.70 4.12 0.00 2.00 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 2.39 2.33 0.00 588 P 0.00 4.46 0.00 2.21 1.98 0.00 3.68 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 2.13 2.16 0.00 589 V 8.34 3.48 2.26 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 1.26 0.00 0.00 0.81 0.00 0.00 590 A 7.99 3.97 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 0.00 591 S 7.89 4.12 0.00 3.92 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 0.00 592 I 7.72 3.79 1.82 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 1.54 0.49 0.70 0.00 0.00 593 I 7.89 3.63 1.97 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 1.48 0.86 0.87 0.00 0.00 594 T 7.83 3.87 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 1.19 0.00 0.00 595 K 7.87 4.04 0.00 2.06 1.93 0.00 1.99 0.00 0.00 1.95 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.66 7.81 596 L 7.80 3.81 0.00 1.54 1.50 0.75 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 597 N 7.98 4.36 0.00 2.66 2.84 0.00 0.00 6.97 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 0.00 598 S 7.71 4.21 0.00 3.88 4.02 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 0.00 599 L 7.60 3.94 0.00 1.65 1.62 0.96 0.88 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 0.00 600 N 7.27 3.97 0.00 2.88 2.82 0.00 0.00 7.09 8.12 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 0.00 601 E 7.41 4.68 0.00 1.90 1.79 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 2.19 2.40 0.00 602 P 0.00 4.76 0.00 2.07 1.96 0.00 3.51 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 2.10 2.10 0.00 603 L 9.13 5.39 0.00 1.49 1.51 0.85 0.59 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 0.00 604 V 8.50 4.75 2.25 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 0.89 0.00 0.00 1.14 0.00 0.00 605 T 8.88 4.98 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 606 M 8.40 5.01 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.47 0.00 607 P 0.00 4.18 0.00 2.18 2.13 0.00 3.51 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.48 0.00 608 I 8.38 3.91 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.69 0.65 0.00 0.00 609 G 9.36 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 610 Y 7.84 4.74 0.00 3.00 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 0.00 611 V 8.87 3.53 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 0.74 0.00 0.00 0.09 0.00 0.00 612 T 7.93 3.82 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 1.30 0.00 0.00 613 H 8.47 4.44 0.00 2.88 2.88 0.00 5.84 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 0.00 614 G 7.98 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 0.00 615 F 7.98 5.34 0.00 3.30 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 0.00 616 N 8.65 5.26 0.00 3.01 3.04 0.00 0.00 5.78 6.67 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 0.00 617 L 8.72 3.77 0.00 1.77 1.78 0.40 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 618 E 7.61 2.77 0.00 1.16 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 2.06 1.89 0.00 619 E 8.04 3.62 0.00 2.15 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 620 A 8.05 3.91 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 0.00 621 A 7.92 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 622 R 7.28 3.88 0.00 1.75 1.87 0.00 3.05 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 623 C 7.74 4.41 0.00 2.86 3.13 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 0.00 0.00 0.00 624 M 7.93 3.91 0.00 2.18 2.33 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 2.80 3.03 0.00 625 R 7.31 3.95 0.00 1.92 1.97 0.00 3.19 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.87 0.00 626 S 7.58 4.48 0.00 3.88 3.85 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 0.00 627 L 7.42 4.37 0.00 1.57 1.72 0.90 0.71 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 0.00 628 R 9.25 4.21 0.00 1.76 1.95 0.00 3.25 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.52 0.00 629 A 7.99 4.08 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 630 P 0.00 4.38 0.00 2.12 2.22 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 631 A 8.46 5.06 1.21 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 0.00 0.00 632 V 8.65 4.11 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 0.41 0.00 0.00 0.89 0.00 0.00 633 V 8.25 4.44 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 0.45 0.00 0.00 0.92 0.00 0.00 634 S 8.93 4.91 0.00 3.75 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 0.00 635 V 8.26 3.86 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.87 0.00 0.00 636 S 9.00 4.15 0.00 3.91 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 0.00 637 S 7.76 4.67 0.00 4.21 4.02 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 0.00 638 P 0.00 4.42 0.00 2.22 2.15 0.00 3.61 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 639 D 8.07 4.43 0.00 2.70 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 0.00 640 A 7.71 4.34 1.35 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 0.00 0.00 641 V 7.28 3.50 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 1.01 0.00 0.00 0.92 0.00 0.00 642 T 7.83 3.90 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 643 T 7.29 3.50 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 644 Y 8.45 4.20 0.00 3.00 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 0.00 645 N 8.47 4.43 0.00 2.95 2.81 0.00 0.00 6.90 7.01 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 0.00 646 G 7.64 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 0.00 0.00 0.00 647 Y 7.42 4.30 0.00 2.77 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 0.00 648 L 7.37 3.91 0.00 1.31 1.60 0.77 0.96 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 0.00 649 T 7.47 3.98 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 1.24 0.00 0.00 650 S 7.64 4.40 0.00 3.98 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 0.00 651 S 8.16 4.27 0.00 3.87 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 0.00 652 S 8.33 4.18 0.00 3.79 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.