NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 443 Q 4.2851 8.2027 121.7138 56.2442 31.6129 176.8533 444 V 3.4105 7.7793 118.9886 64.1272 32.2514 172.9265 445 V 3.7741 7.5754 117.7435 65.1029 31.4344 177.7446 446 A 3.9507 8.0126 120.8396 54.6423 18.1806 179.2895 447 A 4.1690 8.3761 118.2226 54.0555 18.5737 178.2338 448 I 4.5130 7.2417 109.6259 60.4484 38.2734 177.4394 449 R 3.9434 8.1644 124.2104 60.4783 29.6447 178.1613 450 H 4.2715 8.3865 114.3788 58.3760 28.4053 177.7320 451 I 3.7109 7.3632 122.4503 64.5528 36.9215 178.2814 452 T 3.9996 7.7027 109.1650 65.1926 68.6075 176.3370 453 T 4.1000 7.9504 117.9618 64.0888 68.9644 175.0695 454 G 3.9554 8.0054 107.7236 46.2380 0.0000 175.8414 455 T 3.8109 8.1664 112.6910 64.8013 68.6835 174.9663 456 Y 4.1495 7.8780 119.0150 60.6058 38.0158 177.9005 457 I 3.7360 7.9328 120.2826 64.3572 37.2257 178.1201 458 A 3.9634 8.1180 121.5148 55.1077 18.1526 179.6695 459 R 3.6389 7.8971 117.2536 59.3808 30.0616 178.6070 460 I 3.6145 7.9630 119.9810 64.7205 36.9521 178.6926 461 R 3.9475 7.8157 117.1357 59.0125 30.0098 178.4017 462 E 4.2399 8.4371 117.5586 57.8197 29.9985 176.3058 463 E 4.4713 8.2405 116.6394 57.9931 31.7455 177.4720 464 Y 4.4376 7.3049 115.6615 61.3663 38.2976 178.3316 465 Q 4.3212 8.7635 116.9487 57.7930 28.8599 176.8078 466 Q 4.3588 7.7730 116.0092 56.2377 29.2684 176.2264 467 T 3.9598 7.6104 116.1908 63.3017 68.8427 173.5752 468 E 4.1843 8.7671 127.7052 55.8338 30.0995 175.9938 469 V 4.7119 8.0052 118.6471 59.0606 35.3257 175.6183 470 K 4.2910 8.2282 120.6353 55.5021 33.0545 176.4604 471 P 4.2878 0.0000 0.0000 66.0138 30.8780 178.7767 472 E 4.0397 8.2224 114.9021 58.4876 29.5672 177.7577 473 L 4.4649 7.6851 118.7932 55.0878 42.9781 177.3021 474 Q 4.1831 7.7878 119.2876 59.2649 28.8852 177.4684 475 P 4.4478 0.0000 0.0000 62.6424 31.1722 178.0569 *477 K 4.2067 8.2353 121.1384 56.6106 34.0316 177.6243 478 E 4.0098 8.3984 118.0944 59.2655 29.0513 179.1446 479 A 4.0149 8.1245 120.3018 55.2157 18.5211 179.3995 480 L 4.0636 7.8630 115.8211 57.6724 41.9491 179.0527 481 A 4.2840 8.0971 120.8890 55.0975 18.2610 181.0483 482 R 4.1963 7.8159 115.0802 56.7926 30.0947 179.2137 *484 T 4.3034 7.8818 116.4971 63.9181 70.6037 176.1497 485 D 4.4006 8.2518 121.0876 57.3988 40.7057 178.9458 486 R 3.8435 8.3183 119.0750 59.2534 30.0885 178.3774 487 A 3.9625 7.9431 120.0339 55.1908 18.4913 178.9302 488 E 3.8759 8.2959 117.5338 59.4939 29.6165 178.9363 489 A 4.0399 8.2800 120.9507 55.0874 18.5578 179.4134 490 L 3.9691 8.1780 118.9655 58.1928 42.1068 179.1203 491 I 3.7278 7.9971 119.6502 64.4275 37.0221 178.1409 492 A 4.0736 8.1076 122.7753 54.5536 17.9846 179.1530 493 F 4.0107 8.3240 118.3051 61.5688 39.7751 177.4124 494 V 3.6712 7.9141 117.4038 66.2230 31.0476 178.1814 495 T 3.9152 8.2603 109.9728 64.8505 68.3478 175.8928 496 E 4.1392 8.1903 119.7861 58.1910 29.5756 178.5152 497 Q 3.9872 7.7378 116.9271 55.9548 29.4574 175.7199 498 K 3.6894 7.9263 118.8558 57.5750 30.4111 176.3672 499 D 4.7066 7.5465 116.7855 51.9219 43.5479 174.0613 500 Q 4.0039 8.5527 128.8518 59.1492 29.1899 177.6514 501 E 3.9922 8.2432 119.1956 59.2813 29.5251 178.8593 502 L 4.0939 8.3938 120.3261 58.1126 42.1784 178.7518 503 L 3.9801 8.0756 120.1953 58.3638 41.8290 178.6225 504 D 4.4022 8.1238 117.6846 57.4150 40.8293 178.3123 505 F 4.3446 8.3231 120.1663 60.9980 39.8185 176.3879 506 Q 4.0794 8.3607 115.3362 55.7533 28.8273 177.2870 507 A 3.9633 7.6044 123.1821 55.5232 18.3375 179.7713 508 R 3.7660 7.8136 116.2675 59.6123 29.9378 178.7487 509 R 3.8221 7.6933 116.6002 59.1105 30.1501 178.5456 510 L 4.1112 7.7852 118.1512 57.4545 41.8502 179.2524 511 V 3.7177 7.8691 118.3337 65.9950 31.4741 179.4802 512 E 3.8739 8.0783 116.7356 56.9603 29.4471 179.2440 *514 T 4.1300 7.9383 116.9977 63.6403 70.7752 176.0505 515 A 3.3062 7.9549 123.2804 55.3930 18.0882 179.3140 516 H 4.0348 7.8421 114.0983 58.9460 28.7664 177.9269 517 A 4.0116 7.8326 121.9278 55.0681 18.3466 179.6348 518 V 3.6325 7.8042 116.7343 66.3217 31.6841 178.0560 519 F 4.5052 8.7983 117.9681 60.8059 38.5505 177.9095 520 G 3.7394 8.0367 103.9877 48.2391 0.0000 175.1017 521 H 4.2552 7.9387 117.1625 58.5638 28.9871 177.5339 522 L 3.9770 7.8368 120.7840 57.4355 41.4274 179.3293 523 L 3.8901 7.8194 118.6422 54.9985 41.9761 179.1982 *525 L 4.1807 8.0062 120.4359 54.8267 44.0277 179.3285 526 A 3.9795 8.0212 120.0740 55.2505 17.7371 179.6358 527 A 4.2861 8.2682 119.2631 55.1039 18.1660 179.4066 528 N 4.3190 8.0776 114.7812 57.0024 39.1928 176.4329 529 D 4.7750 7.9889 119.5334 55.8217 41.2431 175.9408 530 D 4.3898 8.2562 119.1890 52.4721 42.8429 175.0638 531 D 4.6118 8.5099 126.6900 55.9151 41.5682 178.1556 532 S 4.0009 8.1210 114.8418 61.6612 62.8977 175.1894 533 F 4.9384 8.0367 117.0509 57.8683 39.3987 177.5608 534 R 3.9005 8.2615 122.4571 59.5163 29.8430 178.0024 535 Q 3.9873 8.1122 118.7521 59.4087 29.1005 178.3266 536 S 4.1963 8.1753 115.3516 61.6311 62.8798 176.3296 537 A 4.0209 8.3612 123.6930 55.2860 17.9611 179.5275 538 E 3.9499 8.6124 117.4187 59.5324 29.5711 179.8248 539 V 3.6463 7.9544 118.3526 66.2266 31.5653 177.6527 540 Y 3.9457 8.4177 116.5788 60.9000 37.6011 178.2478 541 L 4.0219 8.4426 121.6012 58.4403 42.0713 179.3954 542 R 4.0959 7.7919 117.8383 59.2831 29.9173 178.2681 543 Y 4.0898 8.0439 119.3324 60.7775 38.7249 178.5147 544 G 3.5368 8.4430 106.6156 47.8540 0.0000 175.6344 545 Q 3.9080 8.4963 120.6435 58.5431 28.7405 178.5963 546 A 3.8954 8.1650 122.1134 55.3841 18.4246 179.6352 547 E 3.7023 7.9464 117.1388 59.4228 29.3916 179.5772 548 Q 3.9296 8.0368 118.3872 58.8221 28.6682 178.5208 549 E 3.9028 8.1292 120.3529 59.1120 29.7048 178.9539 550 K 3.9277 7.9401 118.5563 59.4759 32.0160 179.4205 551 I 3.6807 7.6321 119.8770 64.3859 37.1054 177.7747 552 D 4.2697 8.4037 119.2542 57.4707 40.9881 178.2679 553 S 4.0242 8.1796 113.4479 61.5208 62.1899 175.3850 554 Y 3.9848 8.0275 122.0107 60.8544 38.3629 178.2800 555 V 3.6715 7.9824 117.8879 66.2093 31.7487 177.9796 556 R 3.4306 7.8617 116.3668 58.3367 29.9161 178.0499 557 A 4.3029 7.6700 118.7495 51.8645 19.2541 177.2436 558 F 3.9922 7.2918 120.6214 57.7703 40.0729 174.6409 559 R 4.2180 7.4599 126.9591 54.1152 30.9056 175.5549 560 P 4.2610 0.0000 0.0000 65.5003 31.5485 178.3753 561 E 3.9859 7.9897 116.3782 58.8779 29.4498 178.0742 562 E 3.9350 7.7098 117.9347 58.4281 29.6359 177.3292 563 L 4.4037 7.5540 118.4188 53.8213 42.8928 176.8354 564 T 4.1746 8.2025 110.1607 61.8885 68.8235 173.8811 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 443 Q 8.20 4.29 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 444 V 7.78 3.41 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 0.97 0.00 0.00 0.93 0.00 0.00 445 V 7.58 3.77 2.28 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 0.76 0.00 0.00 0.95 0.00 0.00 446 A 8.01 3.95 1.40 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 0.00 447 A 8.38 4.17 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.24 4.51 1.87 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 1.36 0.86 0.99 0.00 0.00 449 R 8.16 3.94 0.00 2.13 2.01 0.00 3.10 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 450 H 8.39 4.27 0.00 3.33 3.48 0.00 5.51 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 0.00 451 I 7.36 3.71 1.98 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.33 0.89 0.00 0.00 452 T 7.70 4.00 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 1.22 0.00 0.00 453 T 7.95 4.10 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 1.21 0.00 0.00 454 G 8.01 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 0.00 455 T 8.17 3.81 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 1.17 0.00 0.00 456 Y 7.88 4.15 0.00 3.03 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 0.00 457 I 7.93 3.74 2.05 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 1.63 1.22 0.93 0.00 0.00 458 A 8.12 3.96 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 0.00 459 R 7.90 3.64 0.00 1.74 1.77 0.00 2.98 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.30 0.00 460 I 7.96 3.61 2.11 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.86 0.90 0.00 0.00 461 R 7.82 3.95 0.00 1.78 1.99 0.00 3.24 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 462 E 8.44 4.24 0.00 1.91 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 2.29 2.32 0.00 463 E 8.24 4.47 0.00 1.82 1.60 0.00 0.00 0.00 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 2.31 0.00 464 Y 7.30 4.44 0.00 3.11 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 0.00 465 Q 8.76 4.32 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.85 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 466 Q 7.77 4.36 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 467 T 7.61 3.96 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 1.25 0.00 0.00 468 E 8.77 4.18 0.00 1.95 1.88 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 2.30 2.34 0.00 469 V 8.01 4.71 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 0.94 0.00 0.00 0.98 0.00 0.00 470 K 8.23 4.29 0.00 1.82 1.73 0.00 1.69 0.00 0.00 1.91 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.46 7.81 471 P 0.00 4.29 0.00 2.15 2.12 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 472 E 8.22 4.04 0.00 2.12 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 2.28 2.48 0.00 473 L 7.69 4.46 0.00 1.65 1.71 0.94 0.59 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 0.00 474 Q 7.79 4.18 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 475 P 0.00 4.45 0.00 2.23 2.06 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 2.12 2.09 0.00 *477 K 8.24 4.21 0.00 1.83 2.04 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.53 7.81 478 E 8.40 4.01 0.00 2.20 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 2.35 2.46 0.00 479 A 8.12 4.01 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 0.00 480 L 7.86 4.06 0.00 1.69 1.49 0.80 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 481 A 8.10 4.28 1.47 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 0.00 0.00 482 R 7.82 4.20 0.00 2.07 1.96 0.00 3.17 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 *484 T 7.88 4.30 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 485 D 8.25 4.40 0.00 2.84 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 0.00 486 R 8.32 3.84 0.00 2.09 1.92 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 487 A 7.94 3.96 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 0.00 488 E 8.30 3.88 0.00 2.08 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 0.00 2.33 2.36 0.00 489 A 8.28 4.04 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.18 3.97 0.00 1.86 1.69 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 491 I 8.00 3.73 2.06 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 1.47 0.62 0.97 0.00 0.00 492 A 8.11 4.07 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.32 4.01 0.00 3.04 3.36 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 0.00 494 V 7.91 3.67 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.20 0.00 0.00 495 T 8.26 3.92 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 1.26 0.00 0.00 496 E 8.19 4.14 0.00 1.98 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 0.00 2.33 2.44 0.00 497 Q 7.74 3.99 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.69 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 498 K 7.93 3.69 0.00 1.85 1.83 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.49 7.81 499 D 7.55 4.71 0.00 2.64 2.51 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 0.00 500 Q 8.55 4.00 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.68 0.00 501 E 8.24 3.99 0.00 2.20 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 2.42 2.33 0.00 502 L 8.39 4.09 0.00 2.01 1.91 1.23 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 503 L 8.08 3.98 0.00 1.84 1.84 0.94 1.11 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 0.00 504 D 8.12 4.40 0.00 2.92 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 0.00 505 F 8.32 4.34 0.00 3.07 3.29 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 0.00 506 Q 8.36 4.08 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.51 0.00 0.00 0.00 0.00 0.00 2.69 2.63 0.00 507 A 7.60 3.96 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 0.00 508 R 7.81 3.77 0.00 1.80 1.80 0.00 3.07 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.65 0.00 509 R 7.69 3.82 0.00 1.89 1.92 0.00 3.35 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 510 L 7.79 4.11 0.00 1.76 1.72 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 511 V 7.87 3.72 2.18 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 0.99 0.00 0.00 0.98 0.00 0.00 512 E 8.08 3.87 0.00 2.10 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 2.22 2.45 0.00 *514 T 7.94 4.13 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 1.11 0.00 0.00 515 A 7.95 3.31 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 516 H 7.84 4.03 0.00 3.13 3.32 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 517 A 7.83 4.01 1.40 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 0.00 518 V 7.80 3.63 1.88 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 1.14 0.00 0.00 0.70 0.00 0.00 519 F 8.80 4.51 0.00 3.09 3.06 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 0.00 520 G 8.04 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 0.00 0.00 0.00 521 H 7.94 4.26 0.00 3.26 3.10 0.00 5.86 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 522 L 7.84 3.98 0.00 1.74 1.59 0.90 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 523 L 7.82 3.89 0.00 1.77 1.52 0.64 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 *525 L 8.01 4.18 0.00 1.79 1.70 0.60 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 526 A 8.02 3.98 1.33 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 0.00 0.00 0.00 527 A 8.27 4.29 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 0.00 528 N 8.08 4.32 0.00 2.72 3.04 0.00 0.00 7.01 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 529 D 7.99 4.77 0.00 2.90 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.26 4.39 0.00 2.55 2.34 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 0.00 531 D 8.51 4.61 0.00 2.77 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 0.00 532 S 8.12 4.00 0.00 3.32 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 0.00 533 F 8.04 4.94 0.00 3.17 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 0.00 534 R 8.26 3.90 0.00 1.98 2.01 0.00 3.35 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 535 Q 8.11 3.99 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.68 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 536 S 8.18 4.20 0.00 4.11 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 0.00 537 A 8.36 4.02 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 538 E 8.61 3.95 0.00 2.22 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 2.36 2.50 0.00 539 V 7.95 3.65 2.28 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 1.01 0.00 0.00 0.97 0.00 0.00 540 Y 8.42 3.95 0.00 3.21 3.06 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 0.00 541 L 8.44 4.02 0.00 1.87 1.90 0.94 1.20 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 0.00 542 R 7.79 4.10 0.00 2.00 1.98 0.00 3.36 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.80 0.00 543 Y 8.04 4.09 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 0.00 544 G 8.44 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 545 Q 8.50 3.91 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 546 A 8.17 3.90 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 0.00 547 E 7.95 3.70 0.00 1.27 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.65 0.00 548 Q 8.04 3.93 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 549 E 8.13 3.90 0.00 2.13 2.06 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 2.27 2.36 0.00 550 K 7.94 3.93 0.00 1.95 1.79 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.56 7.81 551 I 7.63 3.68 1.95 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 1.34 0.76 0.90 0.00 0.00 552 D 8.40 4.27 0.00 2.79 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 0.00 553 S 8.18 4.02 0.00 3.95 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 0.00 554 Y 8.03 3.98 0.00 3.16 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 0.00 555 V 7.98 3.67 2.18 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 1.09 0.00 0.00 1.14 0.00 0.00 556 R 7.86 3.43 0.00 1.70 1.62 0.00 3.11 0.00 0.00 2.89 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.20 0.00 557 A 7.67 4.30 1.32 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 0.00 558 F 7.29 3.99 0.00 2.70 3.09 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 0.00 0.00 0.00 559 R 7.46 4.22 0.00 1.54 1.84 0.00 3.11 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.43 0.00 560 P 0.00 4.26 0.00 2.13 2.13 0.00 3.52 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 561 E 7.99 3.99 0.00 1.80 1.94 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 2.25 2.34 0.00 562 E 7.71 3.94 0.00 1.46 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.62 0.00 563 L 7.55 4.40 0.00 1.71 1.53 0.91 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 564 T 8.20 4.17 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 1.20 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.