NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 456 L 4.1317 8.1849 122.4875 53.5251 44.0301 174.5892 457 L 3.8257 8.0129 121.5012 54.7870 41.4436 172.5188 458 P 4.4695 0.0000 0.0000 62.0166 34.4055 176.3956 459 A 3.9721 8.7174 121.6317 55.8593 18.1365 179.8796 460 F 4.2516 8.5073 111.3630 60.3547 37.6764 177.4098 461 Q 3.2307 6.5097 119.0098 58.7571 28.8085 177.7992 462 N 4.3231 7.7515 116.8502 56.1869 38.4986 177.2874 463 A 3.7399 7.9632 122.3011 54.6276 18.6265 179.0911 464 E 3.9550 8.4415 118.3704 59.9782 29.7099 178.4317 465 R 3.7006 8.1928 118.4332 60.0922 29.9875 178.0211 466 L 3.7792 8.3236 118.4054 57.6878 41.4827 179.5352 467 L 3.8881 7.5126 119.2106 58.0064 42.1149 178.6452 468 L 3.9960 7.5038 117.0028 58.0081 41.7190 178.9572 469 A 4.0511 7.6978 118.9478 54.8889 19.5307 178.5868 470 H 4.4804 7.8132 116.5278 54.6762 25.6109 175.7865 *473 R 3.9891 7.6640 121.2484 55.0905 32.5038 175.9932 474 S 4.5793 8.9809 113.9579 56.4183 63.6121 173.7696 475 R 4.4339 8.6071 126.1600 56.7368 29.0406 177.0755 476 D 4.4382 7.6675 119.3796 55.9731 41.4431 178.6938 477 V 3.7041 7.5676 118.8734 65.7728 31.6157 177.5734 478 A 4.1082 8.1110 120.0400 55.5751 17.5995 179.4806 479 L 4.0543 7.8522 116.7564 57.7940 41.8751 179.7437 480 V 3.5130 7.2829 115.6335 65.9054 31.5243 178.3249 481 V 3.8089 8.1480 118.1882 65.8574 31.1214 177.8297 482 Q 3.6544 8.0592 118.7610 59.1935 29.0113 177.6918 483 E 4.0397 7.5630 118.5703 58.6624 29.6599 178.5782 484 R 4.1597 7.4333 116.2565 57.3600 31.0775 176.4599 485 I 4.3802 7.6677 118.5310 59.0177 38.4591 175.6163 486 G 3.7714 8.4934 113.0018 49.6298 0.0000 173.8223 487 G 4.0640 8.4342 110.0811 45.3978 0.0000 174.5818 488 R 4.0101 8.7679 116.7328 56.8615 29.1341 177.2899 489 F 4.2563 8.1755 115.6717 57.6034 39.4951 174.8783 490 N 4.7503 9.3839 120.1690 54.4422 39.4967 176.0479 491 I 4.5927 8.2868 119.6969 59.1260 40.1287 175.9453 492 E 3.9877 8.9453 124.3632 59.9038 29.3141 179.5528 493 E 3.8881 8.1062 117.4836 59.9942 29.6473 179.0063 494 H 4.0093 8.0119 115.3948 58.8384 28.6791 178.0746 495 R 3.9081 8.1593 119.7457 59.1423 29.9564 178.8393 496 A 4.0792 8.0303 120.5109 55.1544 18.4292 179.6061 497 L 3.8870 8.0535 117.3414 57.9608 41.6292 179.5962 498 A 3.4814 7.6739 120.3444 54.9155 18.1131 179.3590 499 A 4.0952 8.0240 119.2039 55.6978 18.5005 179.5950 500 Y 3.8603 7.8368 114.6392 61.4504 37.8764 177.9599 501 I 3.6340 8.3290 121.1058 64.2071 36.9133 177.6815 502 Y 4.5913 7.8466 117.9610 62.1736 38.2962 178.4179 503 A 3.6784 8.8946 119.4807 54.3505 18.1762 182.8964 504 F 3.1657 8.3335 113.7974 58.2928 43.8485 177.8409 505 Y 4.0729 8.3403 120.3150 60.5805 38.8528 177.8985 506 E 3.9701 8.8371 119.1132 57.8882 29.7218 176.6146 507 E 4.4560 7.8816 118.3277 56.7362 30.8724 175.5786 508 G 3.6285 7.3438 102.6177 45.8946 0.0000 174.3208 509 H 4.0910 8.0277 119.1891 55.2963 30.1028 177.8783 510 E 2.8896 8.1504 123.5973 54.7396 30.4254 176.7187 511 A 4.5926 8.6477 135.0000 52.9382 20.5818 177.3151 512 D 4.5715 8.0432 119.6787 52.5710 44.8061 176.0311 513 P 4.1931 0.0000 0.0000 65.8886 31.0105 178.7950 514 G 3.8841 8.2314 104.0143 47.7969 0.0000 175.0008 515 A 4.2814 8.2148 122.5677 55.2058 18.6975 179.2023 516 L 3.5439 7.6816 117.1593 57.9040 41.4593 179.4923 517 I 3.6695 7.8741 113.5848 63.4761 37.4942 175.9058 518 S 4.6891 7.6114 116.0916 59.1762 62.9276 174.6118 519 R 4.3551 7.2429 116.8882 56.4998 32.2533 174.5232 520 I 2.3340 6.9100 123.7064 59.9988 33.2815 172.1793 521 P 4.1158 0.0000 0.0000 65.9943 31.7563 176.1673 522 G 3.8152 7.1046 108.9937 45.1171 0.0000 175.1379 523 E 3.9853 7.8310 120.0741 57.6297 30.2396 177.0845 524 L 4.1957 7.6287 117.9327 56.9691 42.7643 178.7922 525 Q 3.9033 7.5897 118.1252 58.4744 28.3823 177.0857 526 P 4.2256 0.0000 0.0000 65.4883 31.1313 177.6782 527 L 4.1146 7.6933 119.1320 57.6185 42.5323 178.3474 528 A 4.0057 8.2672 121.0680 54.8000 18.0674 179.6040 529 S 4.0836 8.4630 112.2487 61.6382 62.3723 175.6289 530 E 4.3467 7.4499 115.8315 57.1153 29.5693 177.7877 531 L 4.3979 7.4254 119.6193 56.0185 42.4593 178.4980 532 S 4.2449 7.7541 111.8589 59.9098 63.1789 174.6578 533 L 4.4327 7.5596 119.1345 53.9711 42.1532 176.7921 534 L 3.2478 6.6121 116.0787 56.3143 42.0978 175.8937 535 L 5.2256 7.2652 134.0486 54.9934 44.8100 172.7559 536 I 4.4390 7.4883 118.3592 59.6436 40.0856 173.9291 537 A 4.2430 8.3661 124.7953 51.5508 19.4098 176.9856 538 D 4.5081 8.9485 121.4647 55.8682 41.0390 173.6485 539 D 4.2255 8.2541 123.6392 52.8541 42.2087 175.4230 540 V 4.1915 7.9923 128.0210 60.7206 32.6794 175.5813 541 S 4.1454 8.8718 121.5798 58.5227 63.5133 174.1445 542 E 3.9649 8.8598 126.7837 60.2430 29.0136 179.5905 543 Q 3.6959 8.0167 120.2915 57.8899 29.1266 177.2015 544 E 3.4971 8.1584 119.6458 59.4249 29.3916 179.1051 545 L 4.1064 7.5276 119.5406 58.4067 42.1249 178.9300 546 E 3.9833 7.7418 117.9566 59.1263 29.0695 179.0957 547 D 4.3413 8.0194 119.0645 57.2400 41.2487 178.1066 548 Y 4.4404 7.9792 117.5761 61.3507 37.9633 178.3531 549 I 3.7370 8.1715 120.8820 64.6192 37.2038 178.4025 550 R 3.9815 7.9284 119.0944 59.6858 29.6340 178.3966 551 H 4.2408 8.1767 115.0446 59.0825 29.1000 177.4479 552 V 3.7904 7.9720 119.4217 66.0944 31.0917 177.4426 553 L 3.9421 8.1731 118.7087 57.3633 42.5584 179.3672 554 N 4.8370 8.1099 115.7653 52.6776 36.5034 175.7040 555 R 4.3895 7.8900 122.0983 58.8081 31.2686 174.9700 556 P 4.3028 0.0000 0.0000 65.2596 31.3103 178.1964 557 K 4.0749 7.9232 116.2304 58.6306 31.1995 178.7359 558 W 4.3052 7.9386 119.0155 58.9848 29.0715 179.1607 559 L 4.2902 7.8083 119.4305 54.8711 42.0625 177.6474 *561 L 4.2526 7.9620 117.0780 54.7288 41.8675 177.7450 562 K 4.2852 7.5122 119.0461 57.6198 31.8284 178.8372 563 V 3.7009 7.5866 119.7463 65.6118 31.6737 177.6768 564 K 4.1157 7.9379 117.6942 59.1723 32.7631 178.4713 565 E 3.9169 8.1701 121.1783 59.5770 29.0492 178.7458 566 Q 4.1501 7.8567 116.0721 58.1490 28.7153 178.1291 567 E 4.1383 7.5390 120.2350 58.4200 29.7159 178.2324 568 K 3.8243 8.3121 120.1582 60.1319 32.1625 178.7870 569 T 3.8407 7.8587 112.4665 64.8639 67.1728 175.5814 570 E 4.0155 7.8694 120.1702 58.4979 29.6375 178.5088 571 A 3.8973 7.9519 121.2295 54.9920 18.5947 178.9155 572 E 3.7150 8.4176 118.2149 59.7782 29.3500 179.4333 573 R 4.0379 7.6611 117.1299 58.2693 30.0883 177.9030 574 R 4.3606 7.1229 113.8178 55.3540 29.9793 176.3984 575 K 2.6698 7.0211 115.2948 57.9868 30.8222 176.8448 576 D 4.5339 7.2948 117.7967 53.2947 37.9851 176.6082 577 F 4.3246 7.5339 122.0742 60.9150 39.6934 177.4525 578 L 4.2004 8.0283 117.7785 57.4671 41.4731 179.5257 579 T 3.8972 8.0954 116.0516 66.5662 68.4538 176.7096 580 A 3.9816 8.0175 121.9918 54.8385 18.4226 179.1319 581 A 3.9412 7.9514 119.0920 55.5658 18.4018 179.8070 582 R 3.8510 7.7875 115.7067 59.6968 29.9955 179.1529 583 I 3.6554 7.6845 117.6602 64.5620 37.1934 178.0263 584 A 4.1348 8.1447 120.6626 55.0441 18.3028 179.3979 585 K 4.0906 8.3620 117.4890 59.0822 32.3106 178.2367 586 E 4.1223 8.1403 118.5409 56.9142 29.6744 178.1600 *588 I 4.0739 7.7602 120.3607 61.0624 39.0910 177.5797 589 E 4.1027 7.6543 115.7890 57.2682 28.6153 177.7032 *591 K 3.9414 7.9729 120.3464 56.1852 34.0936 176.0432 592 K 4.1718 7.6488 121.3322 56.6588 31.8386 176.5931 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 456 L 8.18 4.13 0.00 1.59 1.74 0.91 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 0.00 457 L 8.01 3.83 0.00 1.86 1.72 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 458 P 0.00 4.47 0.00 2.26 2.04 0.00 3.49 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.17 0.00 459 A 8.72 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 0.00 460 F 8.51 4.25 0.00 3.31 3.34 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 0.00 461 Q 6.51 3.23 0.00 1.18 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.93 0.00 0.00 0.00 0.00 0.00 2.19 1.99 0.00 462 N 7.75 4.32 0.00 2.93 2.80 0.00 0.00 6.97 7.28 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 0.00 463 A 7.96 3.74 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 0.00 464 E 8.44 3.95 0.00 2.18 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 0.00 2.13 2.81 0.00 465 R 8.19 3.70 0.00 1.97 1.88 0.00 3.07 0.00 0.00 3.10 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 466 L 8.32 3.78 0.00 1.15 1.29 0.78 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 467 L 7.51 3.89 0.00 1.90 1.83 1.00 0.96 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 0.00 468 L 7.50 4.00 0.00 1.79 1.61 0.60 0.46 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 0.00 469 A 7.70 4.05 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 0.00 470 H 7.81 4.48 0.00 3.33 3.25 0.00 5.65 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *473 R 7.66 3.99 0.00 1.93 2.14 0.00 3.12 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.81 0.00 474 S 8.98 4.58 0.00 3.69 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 0.00 475 R 8.61 4.43 0.00 1.67 1.64 0.00 3.46 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.93 0.00 476 D 7.67 4.44 0.00 2.70 2.62 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 0.00 477 V 7.57 3.70 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 1.00 0.00 0.00 0.93 0.00 0.00 478 A 8.11 4.11 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 0.00 479 L 7.85 4.05 0.00 1.68 1.75 0.83 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 480 V 7.28 3.51 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 1.03 0.00 0.00 0.95 0.00 0.00 481 V 8.15 3.81 2.48 0.00 0.00 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 1.13 0.00 0.00 482 Q 8.06 3.65 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.78 0.00 0.00 0.00 0.00 0.00 2.02 1.16 0.00 483 E 7.56 4.04 0.00 1.83 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 2.32 2.34 0.00 484 R 7.43 4.16 0.00 1.93 1.97 0.00 3.36 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.96 0.00 485 I 7.67 4.38 1.86 0.00 0.00 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 1.13 0.54 0.58 0.00 0.00 486 G 8.49 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 487 G 8.43 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 0.00 0.00 0.00 488 R 8.77 4.01 0.00 2.14 2.06 0.00 3.22 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 489 F 8.18 4.26 0.00 3.12 3.08 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 0.00 490 N 9.38 4.75 0.00 3.30 3.04 0.00 0.00 6.84 7.45 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 0.00 491 I 8.29 4.59 2.09 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.11 0.91 0.00 0.00 492 E 8.95 3.99 0.00 2.02 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 2.45 2.48 0.00 493 E 8.11 3.89 0.00 1.86 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 2.32 2.41 0.00 494 H 8.01 4.01 0.00 3.36 3.14 0.00 5.62 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 0.00 495 R 8.16 3.91 0.00 2.11 2.05 0.00 3.22 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.97 0.00 496 A 8.03 4.08 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 0.00 497 L 8.05 3.89 0.00 1.71 1.53 0.80 0.52 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 0.00 498 A 7.67 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 499 A 8.02 4.10 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 0.00 500 Y 7.84 3.86 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 501 I 8.33 3.63 1.55 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.90 0.81 0.00 0.00 502 Y 7.85 4.59 0.00 3.00 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 0.00 503 A 8.89 3.68 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 0.00 504 F 8.33 3.17 0.00 3.44 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 0.00 505 Y 8.34 4.07 0.00 3.43 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 0.00 506 E 8.84 3.97 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 507 E 7.88 4.46 0.00 1.90 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 2.09 2.21 0.00 508 G 7.34 3.63 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 0.00 0.00 0.00 509 H 8.03 4.09 0.00 2.78 2.41 0.00 5.93 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 510 E 8.15 2.89 0.00 2.01 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 2.24 2.23 0.00 511 A 8.65 4.59 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 0.00 512 D 8.04 4.57 0.00 2.73 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 0.00 513 P 0.00 4.19 0.00 2.20 2.23 0.00 3.74 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 2.00 0.00 514 G 8.23 3.88 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 0.00 0.00 0.00 515 A 8.21 4.28 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 516 L 7.68 3.54 0.00 1.37 1.43 0.56 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 517 I 7.87 3.67 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.48 0.83 0.00 0.00 518 S 7.61 4.69 0.00 4.04 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 519 R 7.24 4.36 0.00 1.97 1.95 0.00 3.48 0.00 0.00 3.33 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 520 I 6.91 2.33 1.70 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.94 0.69 0.00 0.00 521 P 0.00 4.12 0.00 1.94 2.12 0.00 3.17 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.11 0.00 522 G 7.10 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 0.00 0.00 0.00 523 E 7.83 3.99 0.00 1.91 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 2.24 2.29 0.00 524 L 7.63 4.20 0.00 1.54 1.50 0.70 0.95 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 Q 7.59 3.90 0.00 2.34 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 526 P 0.00 4.23 0.00 2.17 2.16 0.00 3.63 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.99 0.00 527 L 7.69 4.11 0.00 1.71 1.76 0.86 1.01 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 0.00 528 A 8.27 4.01 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 0.00 529 S 8.46 4.08 0.00 3.83 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 0.00 530 E 7.45 4.35 0.00 1.98 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 2.45 2.45 0.00 531 L 7.43 4.40 0.00 1.82 1.61 0.90 0.56 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 0.00 532 S 7.75 4.24 0.00 3.88 3.92 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 0.00 533 L 7.56 4.43 0.00 1.60 1.70 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 534 L 6.61 3.25 0.00 1.71 1.47 0.87 0.68 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 0.00 535 L 7.27 5.23 0.00 1.71 1.64 0.91 0.92 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 0.00 536 I 7.49 4.44 1.83 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.45 0.65 0.00 0.00 537 A 8.37 4.24 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 0.00 538 D 8.95 4.51 0.00 2.67 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 0.00 539 D 8.25 4.23 0.00 2.77 2.84 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 0.00 540 V 7.99 4.19 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 0.95 0.00 0.00 0.69 0.00 0.00 541 S 8.87 4.15 0.00 3.91 3.71 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 0.00 542 E 8.86 3.96 0.00 2.18 2.22 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 2.35 2.33 0.00 543 Q 8.02 3.70 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 544 E 8.16 3.50 0.00 2.14 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 2.21 2.33 0.00 545 L 7.53 4.11 0.00 1.76 1.69 1.05 0.98 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 0.00 546 E 7.74 3.98 0.00 2.08 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 2.33 2.34 0.00 547 D 8.02 4.34 0.00 2.44 2.50 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 0.00 548 Y 7.98 4.44 0.00 3.11 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 0.00 549 I 8.17 3.74 2.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.71 0.92 0.00 0.00 550 R 7.93 3.98 0.00 2.17 2.03 0.00 3.12 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 551 H 8.18 4.24 0.00 3.49 3.52 0.00 5.74 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 552 V 7.97 3.79 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 0.87 0.00 0.00 1.00 0.00 0.00 553 L 8.17 3.94 0.00 1.78 1.75 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 554 N 8.11 4.84 0.00 2.84 2.88 0.00 0.00 6.95 7.22 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 0.00 555 R 7.89 4.39 0.00 1.90 2.11 0.00 2.76 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.50 0.00 556 P 0.00 4.30 0.00 2.05 2.11 0.00 3.94 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 2.03 2.19 0.00 557 K 7.92 4.07 0.00 1.56 1.64 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.47 7.81 558 W 7.94 4.31 0.00 3.39 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 559 L 7.81 4.29 0.00 1.71 1.81 0.92 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 *561 L 7.96 4.25 0.00 1.90 1.86 1.06 0.25 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 0.00 562 K 7.51 4.29 0.00 2.04 1.91 0.00 1.72 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.49 1.50 7.81 563 V 7.59 3.70 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 1.09 0.00 0.00 0.93 0.00 0.00 564 K 7.94 4.12 0.00 2.01 2.03 0.00 1.55 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.59 1.48 7.81 565 E 8.17 3.92 0.00 2.25 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 2.34 2.43 0.00 566 Q 7.86 4.15 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.52 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 567 E 7.54 4.14 0.00 2.23 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 2.29 2.48 0.00 568 K 8.31 3.82 0.00 1.80 2.02 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.48 7.81 569 T 7.86 3.84 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 1.27 0.00 0.00 570 E 7.87 4.02 0.00 2.32 1.90 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 2.29 2.34 0.00 571 A 7.95 3.90 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 0.00 572 E 8.42 3.71 0.00 2.21 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 0.00 2.47 2.53 0.00 573 R 7.66 4.04 0.00 1.88 1.94 0.00 3.19 0.00 0.00 3.27 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 574 R 7.12 4.36 0.00 2.02 1.94 0.00 3.17 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.56 0.00 575 K 7.02 2.67 0.00 1.77 1.71 0.00 1.68 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.28 1.24 7.81 576 D 7.29 4.53 0.00 2.60 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 577 F 7.53 4.32 0.00 3.16 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 578 L 8.03 4.20 0.00 1.73 1.75 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 579 T 8.10 3.90 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 1.20 0.00 0.00 580 A 8.02 3.98 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 0.00 581 A 7.95 3.94 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 0.00 582 R 7.79 3.85 0.00 2.09 2.01 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 583 I 7.68 3.66 2.03 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 1.45 0.69 0.95 0.00 0.00 584 A 8.14 4.13 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 0.00 585 K 8.36 4.09 0.00 1.80 2.00 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.44 7.81 586 E 8.14 4.12 0.00 2.26 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 2.27 2.32 0.00 *588 I 7.76 4.07 2.03 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 1.43 0.97 0.91 0.00 0.00 589 E 7.65 4.10 0.00 2.08 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 2.32 2.40 0.00 *591 K 7.97 3.94 0.00 1.86 1.96 0.00 1.81 0.00 0.00 1.85 0.00 0.00 3.26 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.41 7.81 592 K 7.65 4.17 0.00 1.93 1.71 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.