NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 409 E 4.2792 8.4444 116.7485 55.3742 31.4429 175.1964 410 C 4.1051 8.6145 124.7786 57.0990 31.7488 171.4433 411 T 4.4969 8.4402 114.8000 61.3566 71.1255 175.2462 412 I 3.4540 7.7936 121.6884 63.5263 38.1987 175.7333 413 V 4.4685 6.9712 111.2493 58.4720 35.8133 173.1058 414 P 4.4472 0.0000 0.0000 62.3787 31.8219 177.6332 415 S 4.0719 8.4149 113.7802 60.4770 63.0641 174.5134 416 N 3.3207 7.4980 117.4204 52.1077 37.3849 174.1371 417 H 4.2062 7.3597 118.7210 56.9162 30.7188 174.1740 418 Y 4.5125 8.4272 123.9519 57.6418 39.5878 176.1223 419 G 4.3480 8.7690 109.2612 43.8468 0.0000 171.1880 420 P 4.4586 0.0000 0.0000 62.6821 32.0307 176.1320 421 I 4.2389 7.9454 121.5545 59.2257 38.2879 173.9274 422 P 4.3978 0.0000 0.0000 64.2507 31.5125 176.8720 423 G 3.9074 9.1631 110.9041 45.3011 0.0000 173.3895 424 I 4.3258 7.3085 120.5262 58.5631 37.8896 173.6414 425 P 4.7596 0.0000 0.0000 61.3399 32.4618 176.3530 426 V 3.7459 8.5963 119.7277 64.8117 31.6489 176.3824 427 G 3.9714 9.1817 115.3220 45.2269 0.0000 174.1169 428 T 3.7551 7.6339 116.6694 64.0957 69.7095 173.2344 429 M 5.0808 7.8030 123.3062 53.2656 36.2461 174.4031 430 W 5.2870 9.1592 121.7799 54.9376 33.0390 176.4094 431 R 3.4686 8.5883 124.9514 58.5019 30.1241 176.7517 432 F 5.1238 8.2009 116.4633 55.1508 42.0020 176.6039 433 R 3.9324 8.7374 122.4466 59.3677 29.8214 179.7086 434 V 3.5752 7.8599 118.5855 64.9798 31.3617 178.4125 435 Q 3.9351 8.0133 118.1712 58.5568 28.5718 178.5613 436 V 2.0043 7.1764 118.7692 65.4115 31.4493 177.8883 437 S 4.5487 7.8092 114.2188 61.0465 62.0511 176.0782 438 E 3.9826 7.8269 119.8857 59.0689 29.1942 179.0737 439 S 4.3018 7.5207 112.9971 59.5498 63.3703 175.4169 440 G 3.8723 7.7253 110.7189 45.1288 0.0000 174.8364 441 V 3.4909 7.1655 118.8145 65.6310 31.7942 175.6825 442 H 4.7194 7.4708 119.6855 53.6112 30.6406 173.4221 443 R 3.7312 8.3321 125.9347 58.2264 30.2346 176.5256 444 P 4.2732 0.0000 0.0000 62.6683 31.7633 176.3087 445 H 4.2640 8.8549 120.3711 57.9112 29.1954 175.8575 446 V 4.1259 7.7381 115.3725 64.1493 33.1652 175.6815 447 A 4.0918 8.0195 120.9013 52.8916 18.6639 177.4274 448 G 3.9828 8.6547 106.9042 47.3406 0.0000 172.9743 449 I 5.2315 7.5908 119.9536 59.5776 41.6309 173.3355 450 H 4.9240 9.2515 129.5538 54.9495 31.4572 173.4494 451 G 3.9466 8.2199 110.8475 45.9189 0.0000 172.3286 452 R 4.7692 8.2410 119.0081 53.8983 33.2117 177.2470 453 S 4.2443 8.8428 116.9308 60.1262 63.1718 174.3780 454 N 4.8868 7.9499 117.6227 52.4080 36.7173 174.2676 455 D 4.7171 7.3402 117.3735 53.0623 47.3800 177.3054 456 G 4.1138 7.2244 104.2894 44.7449 0.0000 169.9186 457 A 4.4273 8.5195 122.7307 50.7565 20.4373 176.6809 458 Y 4.6680 8.0852 120.4631 59.3122 39.6207 175.6945 459 S 5.2912 7.8264 111.3060 57.8639 66.0940 174.2989 460 L 4.7242 8.8350 120.2055 54.6244 44.0428 174.3343 461 V 4.6722 8.5229 120.7155 61.1521 33.8147 174.7612 462 L 4.5683 8.8699 128.2906 52.6833 42.9859 176.9976 463 A 4.6486 8.3834 130.0670 51.3911 19.4239 176.5871 464 G 3.7436 8.5135 109.6390 46.9346 0.0000 174.3451 465 G 3.8240 8.2423 114.3589 45.1161 0.0000 171.1972 *466 Y 4.4553 8.5098 117.2398 56.6003 40.8264 180.5517 467 E 3.8665 7.7675 118.1352 57.0245 32.4504 176.0444 468 D 4.9084 8.6458 115.3221 53.1207 39.9637 175.9205 469 D 4.6539 8.1898 120.0866 55.8444 41.6379 176.5202 470 V 4.5309 9.1568 121.9834 61.0664 35.3659 173.5159 471 D 5.0611 8.6653 125.6779 52.5554 43.1965 174.9677 472 H 4.3394 8.5750 122.7071 55.1121 28.5180 174.1893 473 G 2.2941 6.7296 112.5617 45.7396 0.0000 175.5522 474 N 4.8746 7.3644 116.9912 54.5452 40.1121 174.2419 475 F 5.5380 7.3540 113.3673 56.2896 41.6256 173.0296 476 F 5.3896 8.7752 114.1128 56.4225 41.2618 173.0098 477 T 5.2426 8.8530 110.7075 60.9687 70.7288 173.2446 478 Y 5.1006 9.3390 123.3287 56.5276 43.0578 173.6618 479 T 4.9363 7.3396 119.4901 61.4229 71.5866 174.5584 480 G 4.2002 9.3281 113.8990 46.2869 0.0000 171.9509 481 S 4.7896 9.3888 114.8223 56.5255 65.7493 173.7498 482 G 3.6953 8.2837 106.0747 44.7620 0.0000 172.3777 483 G 3.5150 8.5963 113.3049 46.1885 0.0000 174.6867 *494 E 3.9765 8.7069 117.6793 55.8329 31.6549 178.4699 495 Q 4.3521 8.6950 123.8549 53.2757 28.7048 172.2143 496 S 4.3342 8.1477 117.0294 56.9713 64.2382 172.9866 497 C 3.7908 6.5539 114.6787 56.7824 32.5153 172.8887 498 D 4.8548 8.7284 119.4771 54.9601 41.0088 176.7168 499 Q 4.5126 8.7606 121.1246 55.5689 29.9611 175.4577 500 K 4.9252 8.5304 118.8937 54.8484 35.9308 177.0649 501 L 3.8781 8.2530 124.4142 53.5824 40.5365 174.9265 502 T 4.6954 6.8940 112.1683 59.7281 73.8800 176.7946 503 N 3.9498 8.2756 119.8810 54.6208 37.8983 178.6183 504 T 3.9281 8.4457 117.2394 65.5564 68.6448 175.8032 505 N 4.4205 8.0124 120.6016 55.7082 38.5676 177.0962 506 R 3.6529 7.6828 119.4279 59.0211 29.7639 178.2796 507 A 3.8455 7.8059 120.6906 55.1422 18.4871 179.4222 508 L 3.7161 7.8015 118.5184 58.0899 42.1544 179.0177 509 A 3.5030 7.6655 120.3013 54.8562 17.9222 179.5764 510 L 3.9948 7.7464 116.6072 57.6464 41.9007 179.0677 511 N 4.5261 7.9431 116.0719 54.6425 38.4492 174.8003 512 C 4.8004 7.4823 121.1974 59.2732 32.5030 174.4188 513 F 4.5983 8.8702 130.5191 56.3444 37.0920 173.7241 514 A 4.3981 7.1579 122.6616 50.0871 22.1973 174.8695 515 P 4.2872 0.0000 0.0000 62.3517 31.9779 176.6159 516 I 3.9045 8.2260 122.8191 61.0402 38.2224 174.7932 517 N 4.8916 9.1151 125.1604 52.1415 40.4985 173.6008 518 D 4.9861 8.9139 124.6578 53.7095 40.0172 176.7707 519 Q 4.5495 8.6854 118.5820 57.7365 29.8348 176.3156 520 E 4.4949 9.3223 111.7811 55.2493 30.8084 176.8486 521 G 3.8555 10.1743 107.2152 44.6057 0.0000 171.7626 522 A 4.5353 6.3954 117.6605 50.9142 23.1782 175.3913 523 E 5.1509 8.5025 118.8278 54.4752 32.8997 174.3595 524 A 4.6993 8.8789 128.6679 50.6768 19.9568 177.1472 525 K 4.0490 9.0886 124.5754 59.5036 33.3201 177.4891 526 D 4.7080 7.9490 120.1794 52.1649 39.8391 176.4690 527 W 4.4405 8.1209 120.0525 59.4867 28.7597 179.3097 528 R 3.4445 6.6528 116.2851 58.0654 29.4721 177.3116 529 S 3.9143 7.3972 112.7714 58.9905 62.8732 174.3333 530 G 4.0742 7.5151 108.3774 45.5166 0.0000 173.6258 531 K 4.3711 8.5272 120.2164 55.1681 32.6156 176.0046 532 P 4.7571 0.0000 0.0000 62.8851 32.5695 175.6229 533 V 4.5686 8.8292 121.9755 61.1146 34.3916 174.7495 534 R 4.8669 9.0423 127.7512 56.2802 31.4224 175.6075 535 V 4.8166 9.1270 123.5963 61.0602 34.3811 174.1974 536 V 4.9807 8.8091 127.6365 61.2427 34.4698 174.1086 537 R 4.9759 9.0124 126.6380 54.5727 32.5346 174.7152 538 N 5.4512 8.9234 122.6097 51.6114 41.3712 175.7646 539 V 3.9081 8.5345 126.0582 64.4835 31.2775 178.8304 540 K 4.1105 9.3600 118.9836 58.5433 31.8411 178.6390 541 G 3.8963 8.2754 105.3096 45.7482 0.0000 175.5059 542 G 3.8319 8.1249 110.2817 47.5734 0.0000 176.2143 543 K 4.3676 7.6466 126.8901 59.2960 31.7344 183.3577 544 N 5.2883 7.7890 112.7845 51.5693 39.2477 178.0377 545 S 4.6110 7.6005 112.2242 58.2545 65.2247 175.2070 546 K 4.1042 8.5405 126.1036 58.0154 32.1395 177.1116 547 Y 4.1398 7.5078 115.2966 57.8798 38.3696 175.9308 548 A 4.2012 7.6514 123.3495 51.0980 18.9398 175.6356 549 P 4.5020 0.0000 0.0000 62.2094 32.2292 177.5561 550 A 4.0665 8.4035 122.2695 54.7505 18.6261 177.4194 551 E 4.6239 7.9199 114.2659 55.7884 33.4541 176.6069 552 G 3.6202 8.5553 111.6318 46.6820 0.0000 172.1362 553 N 5.5778 9.0385 118.9275 51.4748 42.8103 173.7243 554 R 5.1089 8.9938 121.9994 54.7742 34.2306 173.1766 555 Y 4.9604 9.0800 127.8674 57.5602 39.6834 175.0361 556 D 4.6314 8.8115 126.0843 53.7874 42.3357 175.4861 557 G 3.4571 6.3234 104.3256 44.5948 0.0000 171.8430 558 I 5.0395 8.8453 119.7350 60.7985 38.6169 175.2364 559 Y 5.3275 9.4045 123.5040 56.2263 42.3963 174.5407 560 K 5.0311 9.3577 119.5289 54.6767 36.8338 176.0455 561 V 4.3253 8.5409 123.2121 62.6725 31.4685 175.8778 562 V 4.1269 9.1535 130.1607 65.6595 32.5757 175.6614 563 K 5.1940 8.0059 116.8730 56.6852 35.7143 173.6086 564 Y 5.4096 8.4449 118.2869 55.9803 41.7879 173.7316 565 W 5.3216 8.4860 116.4722 55.3048 31.8345 171.3617 566 P 4.4760 0.0000 0.0000 61.6481 32.5477 174.3590 567 E 4.7282 8.2250 117.6582 55.1447 33.3750 174.3656 568 K 4.3599 8.6087 121.2579 56.6440 32.9493 177.9175 569 G 3.9425 9.3011 118.0989 45.2171 0.0000 174.4567 570 K 4.0489 8.6574 119.9689 57.6024 31.7651 174.2478 571 S 4.3323 7.9841 112.0389 59.4355 63.1091 174.8134 572 G 3.8030 7.9757 109.5634 45.0536 0.0000 173.6806 573 F 4.6047 7.5187 117.2876 55.9029 41.3804 174.9829 574 L 4.5504 9.0282 122.6937 55.4520 43.1433 176.1647 575 V 4.8845 8.6025 117.9479 59.4481 36.4552 174.3682 576 W 4.7441 9.5259 123.7994 55.6107 30.9113 175.7411 577 R 4.8900 8.3838 122.6528 54.5145 32.8217 174.3658 578 Y 5.1825 8.8151 117.9360 56.2852 43.0536 173.9406 579 L 5.2240 9.3120 124.2775 53.5132 44.7470 174.9910 580 L 5.1673 8.5840 126.6406 52.9191 44.6167 175.5741 581 R 5.0933 8.8014 122.2713 54.2828 33.5421 174.3853 582 R 3.6342 9.2189 126.9821 56.5409 30.7601 176.5176 583 D 4.8862 8.8549 125.3254 52.8711 41.8179 172.9359 584 D 4.7512 7.9003 119.4683 52.2262 44.6854 174.9239 585 D 4.5323 8.6356 124.5629 55.7578 41.4990 176.5022 586 E 4.2649 8.6484 120.0406 54.6304 30.2363 174.9465 587 P 4.2703 0.0000 0.0000 61.9860 32.2722 176.6595 588 G 2.7504 8.0386 110.0427 44.6416 0.0000 172.8749 589 P 4.1081 0.0000 0.0000 63.6954 31.3672 177.0849 590 W 4.7028 6.3679 114.0218 56.4008 29.0956 176.6814 591 T 4.5264 7.4392 113.9566 61.2837 70.9325 176.5485 592 K 3.9966 8.3705 125.5100 60.0010 31.7548 178.5374 593 E 4.2226 8.2348 119.9529 59.1658 29.4523 179.5480 594 G 3.5142 8.3153 105.9436 47.8563 0.0000 175.8025 595 K 3.9885 8.0924 121.1431 59.0828 31.9451 179.2613 596 D 4.3034 8.0940 119.1193 57.4374 40.7727 178.8710 597 R 3.8975 8.0765 118.6074 59.4785 29.9240 179.1414 598 I 3.6510 7.7736 119.3825 64.1106 37.0619 178.4670 599 K 3.9477 7.9578 120.2169 59.6215 31.9231 179.1344 600 K 4.0155 8.1372 117.5562 59.1312 32.0252 178.5369 601 L 4.3241 8.0275 117.0457 54.2602 41.8172 177.2157 602 G 3.9136 7.8017 106.7652 46.2042 0.0000 173.8346 603 L 4.0789 7.5130 120.3577 54.3994 41.9341 176.7770 604 T 4.6413 7.9328 112.2641 59.2435 72.1110 172.9325 605 M 3.8676 8.5606 121.6297 56.4374 32.6203 175.2256 606 Q 4.6187 8.5655 125.2600 55.0253 30.7984 174.4992 607 Y 5.0071 8.4792 119.7339 55.1232 41.7072 173.8949 608 P 4.3259 0.0000 0.0000 63.1200 32.0322 176.4992 *609 E 4.0104 8.7752 118.0455 59.3033 29.7600 174.9488 610 G 4.2913 9.4602 115.8798 45.6579 0.0000 174.6979 611 Y 3.6368 8.2270 122.8387 60.9922 38.7675 177.4863 *612 L 4.4164 8.2219 118.9905 55.0893 41.4434 179.8091 *613 E 4.4561 9.0530 115.5756 58.5167 31.1641 182.3045 614 A 4.4059 7.6095 123.8284 52.6038 19.0463 177.7132 *615 L 4.2888 8.0070 125.8758 55.2642 41.1514 175.8949 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 409 E 8.44 4.28 0.00 2.01 1.82 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 2.13 1.88 0.00 410 C 8.61 4.11 0.00 3.12 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 0.00 411 T 8.44 4.50 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 412 I 7.79 3.45 1.84 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 1.37 0.78 0.86 0.00 0.00 413 V 6.97 4.47 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 0.53 0.00 0.00 0.77 0.00 0.00 414 P 0.00 4.45 0.00 2.33 2.13 0.00 3.62 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 1.92 0.00 415 S 8.41 4.07 0.00 3.91 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 0.00 416 N 7.50 3.32 0.00 2.72 2.66 0.00 0.00 6.00 7.90 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 0.00 417 H 7.36 4.21 0.00 3.08 3.17 0.00 5.93 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 0.00 418 Y 8.43 4.51 0.00 3.05 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 419 G 8.77 4.35 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 0.00 420 P 0.00 4.46 0.00 2.14 2.15 0.00 3.76 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 2.13 2.29 0.00 421 I 7.95 4.24 1.80 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 1.29 1.02 0.90 0.00 0.00 422 P 0.00 4.40 0.00 2.02 2.00 0.00 3.63 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 1.99 2.08 0.00 423 G 9.16 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 424 I 7.31 4.33 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 1.39 1.06 1.02 0.00 0.00 425 P 0.00 4.76 0.00 2.23 2.20 0.00 3.70 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 2.05 1.94 0.00 426 V 8.60 3.75 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 0.57 0.00 0.00 0.85 0.00 0.00 427 G 9.18 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 0.00 428 T 7.63 3.76 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 0.00 429 M 7.80 5.08 0.00 1.78 1.69 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 430 W 9.16 5.29 0.00 3.13 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 0.00 431 R 8.59 3.47 0.00 0.67 0.97 0.00 2.78 0.00 0.00 2.98 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.50 0.00 432 F 8.20 5.12 0.00 3.17 2.78 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 0.00 433 R 8.74 3.93 0.00 1.85 1.96 0.00 3.26 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 434 V 7.86 3.58 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 0.88 0.00 0.00 0.95 0.00 0.00 435 Q 8.01 3.94 0.00 2.34 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.83 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 436 V 7.18 2.00 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 0.54 0.00 0.00 0.61 0.00 0.00 437 S 7.81 4.55 0.00 3.61 3.74 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 0.00 438 E 7.83 3.98 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.52 0.00 439 S 7.52 4.30 0.00 4.21 4.06 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 0.00 440 G 7.73 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 0.00 0.00 0.00 441 V 7.17 3.49 1.69 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 0.70 0.00 0.00 0.84 0.00 0.00 442 H 7.47 4.72 0.00 3.18 3.00 0.00 5.89 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 443 R 8.33 3.73 0.00 1.48 1.78 0.00 3.18 0.00 0.00 3.11 7.31 0.00 0.00 0.00 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0.00 0.00 0.00 452 R 8.24 4.77 0.00 1.86 1.94 0.00 3.27 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 453 S 8.84 4.24 0.00 3.93 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 0.00 454 N 7.95 4.89 0.00 2.82 2.91 0.00 0.00 5.78 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 0.00 455 D 7.34 4.72 0.00 2.70 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 0.00 456 G 7.22 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 0.00 457 A 8.52 4.43 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 0.00 458 Y 8.09 4.67 0.00 2.74 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 0.00 459 S 7.83 5.29 0.00 4.06 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 0.00 460 L 8.84 4.72 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0.00 2.88 2.15 0.00 0.00 6.56 7.05 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 0.00 504 T 8.45 3.93 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 1.20 0.00 0.00 505 N 8.01 4.42 0.00 2.92 2.80 0.00 0.00 7.26 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 0.00 506 R 7.68 3.65 0.00 1.89 1.96 0.00 3.14 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 507 A 7.81 3.85 1.31 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 0.00 0.00 0.00 508 L 7.80 3.72 0.00 1.42 1.13 0.69 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 509 A 7.67 3.50 0.54 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 0.00 0.00 510 L 7.75 3.99 0.00 1.76 1.72 0.92 0.88 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 0.00 511 N 7.94 4.53 0.00 3.04 3.05 0.00 0.00 6.47 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0.00 0.00 0.00 528 R 6.65 3.44 0.00 1.21 1.48 0.00 2.64 0.00 0.00 2.74 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 529 S 7.40 3.91 0.00 2.72 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 0.00 530 G 7.52 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 0.00 531 K 8.53 4.37 0.00 1.58 1.44 0.00 1.57 0.00 0.00 1.01 0.00 0.00 2.67 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.92 1.21 7.81 532 P 0.00 4.76 0.00 2.21 2.12 0.00 3.56 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.03 0.00 533 V 8.83 4.57 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 1.07 0.00 0.00 0.98 0.00 0.00 534 R 9.04 4.87 0.00 2.01 2.17 0.00 3.01 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.73 0.00 535 V 9.13 4.82 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 0.69 0.00 0.00 0.86 0.00 0.00 536 V 8.81 4.98 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 1.16 0.00 0.00 1.13 0.00 0.00 537 R 9.01 4.98 0.00 1.92 1.82 0.00 3.44 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.56 0.00 538 N 8.92 5.45 0.00 2.86 2.78 0.00 0.00 6.62 8.14 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 0.00 539 V 8.53 3.91 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 0.94 0.00 0.00 0.99 0.00 0.00 540 K 9.36 4.11 0.00 1.97 1.90 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.33 7.81 541 G 8.28 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 0.00 542 G 8.12 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 543 K 7.65 4.37 0.00 2.00 1.74 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.32 7.81 544 N 7.79 5.29 0.00 2.70 2.63 0.00 0.00 6.75 7.79 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 0.00 545 S 7.60 4.61 0.00 3.77 3.82 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 0.00 546 K 8.54 4.10 0.00 1.47 1.43 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.44 1.03 7.81 547 Y 7.51 4.14 0.00 2.93 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 0.00 548 A 7.65 4.20 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 549 P 0.00 4.50 0.00 2.40 2.23 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 550 A 8.40 4.07 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 0.00 551 E 7.92 4.62 0.00 1.88 1.75 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 2.10 2.26 0.00 552 G 8.56 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 0.00 553 N 9.04 5.58 0.00 2.94 2.83 0.00 0.00 6.79 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 0.00 554 R 8.99 5.11 0.00 1.89 1.80 0.00 3.10 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 555 Y 9.08 4.96 0.00 3.56 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 0.00 556 D 8.81 4.63 0.00 2.75 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 0.00 557 G 6.32 3.46 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 0.00 558 I 8.85 5.04 2.09 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 1.56 1.06 1.03 0.00 0.00 559 Y 9.40 5.33 0.00 2.98 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 560 K 9.36 5.03 0.00 2.11 1.91 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.64 7.81 561 V 8.54 4.33 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 1.05 0.00 0.00 0.98 0.00 0.00 562 V 9.15 4.13 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 0.86 0.00 0.00 0.53 0.00 0.00 563 K 8.01 5.19 0.00 2.05 1.91 0.00 1.40 0.00 0.00 1.79 0.00 0.00 2.73 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.48 1.80 7.81 564 Y 8.44 5.41 0.00 2.64 2.95 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 0.00 565 W 8.49 5.32 0.00 3.31 3.22 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 0.00 566 P 0.00 4.48 0.00 1.42 0.49 0.00 3.87 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 567 E 8.23 4.73 0.00 2.12 2.23 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 2.15 2.29 0.00 568 K 8.61 4.36 0.00 1.63 1.75 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.66 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.40 7.81 569 G 9.30 3.94 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 0.00 0.00 0.00 570 K 8.66 4.05 0.00 1.79 1.74 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.00 7.81 571 S 7.98 4.33 0.00 4.30 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 0.00 572 G 7.98 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 573 F 7.52 4.60 0.00 3.09 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 574 L 9.03 4.55 0.00 1.71 1.66 0.78 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 575 V 8.60 4.88 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 0.79 0.00 0.00 0.96 0.00 0.00 576 W 9.53 4.74 0.00 3.32 2.93 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 0.00 577 R 8.38 4.89 0.00 0.67 0.73 0.00 3.05 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.57 0.00 578 Y 8.82 5.18 0.00 3.04 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 579 L 9.31 5.22 0.00 2.09 1.74 1.10 0.72 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 0.00 580 L 8.58 5.17 0.00 0.27 1.10 0.94 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 581 R 8.80 5.09 0.00 1.48 1.21 0.00 2.21 0.00 0.00 2.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.30 0.00 582 R 9.22 3.63 0.00 1.47 1.69 0.00 3.34 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.75 0.00 583 D 8.85 4.89 0.00 2.83 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.90 4.75 0.00 2.69 2.36 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 0.00 585 D 8.64 4.53 0.00 2.70 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 0.00 586 E 8.65 4.26 0.00 1.92 1.82 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 2.32 2.35 0.00 587 P 0.00 4.27 0.00 1.98 1.89 0.00 3.60 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.03 0.00 588 G 8.04 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 0.00 0.00 0.00 589 P 0.00 4.11 0.00 2.02 2.03 0.00 2.40 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.84 0.00 590 W 6.37 4.70 0.00 3.52 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.44 4.53 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 1.21 0.00 0.00 592 K 8.37 4.00 0.00 1.78 1.86 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.10 7.81 593 E 8.23 4.22 0.00 1.96 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 0.00 2.39 2.38 0.00 594 G 8.32 3.51 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 0.00 595 K 8.09 3.99 0.00 1.96 1.87 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.71 7.81 596 D 8.09 4.30 0.00 2.84 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 0.00 597 R 8.08 3.90 0.00 1.96 1.95 0.00 3.08 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 598 I 7.77 3.65 1.98 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 1.34 0.71 0.87 0.00 0.00 599 K 7.96 3.95 0.00 1.84 1.96 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.47 7.81 600 K 8.14 4.02 0.00 1.85 1.85 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.67 7.81 601 L 8.03 4.32 0.00 1.65 1.68 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 602 G 7.80 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 603 L 7.51 4.08 0.00 1.55 1.51 0.85 0.64 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 0.00 604 T 7.93 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 1.25 0.00 0.00 605 M 8.56 3.87 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.46 0.00 606 Q 8.57 4.62 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.44 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 607 Y 8.48 5.01 0.00 2.90 2.96 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 0.00 608 P 0.00 4.33 0.00 2.34 2.06 0.00 3.75 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.37 0.00 *609 E 8.78 4.01 0.00 1.98 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 2.23 1.89 0.00 610 G 9.46 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 611 Y 8.23 3.64 0.00 3.11 3.25 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 0.00 *612 L 8.22 4.42 0.00 1.70 1.53 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 *613 E 9.05 4.46 0.00 1.88 1.86 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 2.17 2.10 0.00 614 A 7.61 4.41 1.20 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 0.00 0.00 *615 L 8.01 4.29 0.00 1.75 1.77 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.