NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 446 M 4.4386 8.1627 120.3215 55.4688 34.3798 176.9983 447 R 3.5816 7.8979 118.5601 58.7462 29.9149 175.4854 448 N 4.8212 8.9056 113.5215 52.8951 39.8446 173.7725 449 K 4.8542 8.0672 118.9907 53.6743 33.9671 174.7593 450 P 5.1170 0.0000 0.0000 63.4022 32.0469 175.0340 451 G 4.1696 7.9564 106.3270 46.0472 0.0000 171.3597 452 K 5.1323 8.5834 120.6887 54.2917 34.1946 175.5874 453 A 4.8452 9.1496 129.5470 52.3558 19.9971 176.4545 454 T 4.8895 9.1957 110.5214 60.2938 73.0337 172.6166 455 G 4.3855 8.7326 108.4970 44.2327 0.0000 173.8214 456 K 4.1176 9.7757 121.9271 55.6498 33.2965 178.0179 457 G 4.1628 8.9184 107.2631 44.6729 0.0000 172.4384 458 K 4.6975 8.3805 116.5045 53.7306 36.3081 174.1270 459 P 4.8715 0.0000 0.0000 62.3802 31.9102 176.1184 460 V 4.5872 8.0014 113.9957 59.5315 35.3082 175.5536 461 N 4.8854 8.2818 119.6376 52.4785 38.8972 174.9737 462 N 4.8784 8.6254 118.3026 53.9207 39.7151 176.0513 463 K 4.6748 8.8466 116.5002 55.1699 32.9671 177.2436 464 W 4.5643 8.4397 130.5542 61.2365 31.0807 176.3568 465 L 4.2256 7.4945 114.9765 54.0801 41.0575 178.5549 466 N 4.3016 8.1604 120.9976 56.1417 39.0751 175.4507 467 N 4.9076 7.8997 114.0471 52.5594 38.0904 176.3204 468 A 4.2410 7.9598 123.4621 55.0327 18.6299 179.9568 469 G 3.9845 8.0222 103.6533 44.8080 0.0000 173.4142 470 K 4.6673 7.3256 117.8178 55.8207 36.5364 176.9959 471 D 4.1768 8.2499 119.6497 56.3227 39.3751 174.9261 472 L 4.3582 8.7284 127.4780 55.2586 42.1546 178.3232 473 G 4.2743 8.0539 107.9152 45.6656 0.0000 172.5395 474 S 4.8487 8.5979 116.4025 56.5632 64.4062 172.9412 475 P 4.7863 0.0000 0.0000 62.4447 32.5495 175.9897 476 V 4.1730 8.4238 120.6435 62.1594 32.6965 173.6870 477 P 4.6071 0.0000 0.0000 62.2515 31.4406 177.1282 478 D 4.7805 9.0001 124.6452 56.0207 38.4781 179.4704 479 R 3.8945 7.7412 119.2998 59.1055 30.1370 178.7527 480 I 3.5632 7.4437 118.9907 64.2158 37.0618 178.1776 481 A 4.1274 8.2081 121.7317 55.2069 17.9282 179.4416 482 N 4.2900 7.8386 114.4237 56.3525 38.6307 177.3766 483 K 4.1480 7.5123 118.1469 58.6491 32.5545 178.6264 484 L 4.4926 7.9654 118.6013 54.9834 42.1866 176.9644 485 R 4.2894 7.6449 119.0258 58.2533 30.2391 176.1197 486 D 4.6323 9.0911 123.4304 54.5119 39.4718 174.0206 487 K 4.2977 7.8696 119.5653 55.4657 33.7668 175.8482 488 E 4.5988 8.1801 122.9706 55.7611 30.7498 175.8283 489 F 4.9461 8.7162 121.3966 55.6923 42.9473 176.4099 490 K 4.1181 9.7468 121.7915 59.3745 32.4314 177.7969 491 S 5.4388 7.7458 112.8148 57.2958 66.5399 175.5444 492 F 4.3536 8.9136 123.9811 61.6357 38.9377 176.4886 493 D 4.3479 8.3753 117.2113 57.3273 40.9456 177.6738 494 D 4.3793 7.9663 118.7438 57.2075 41.2075 177.9533 495 F 3.0803 8.1226 121.1488 60.8721 39.3171 176.6254 496 R 3.5500 8.0879 118.6655 59.3794 29.8729 178.0516 497 K 4.3585 7.9901 120.1965 59.1664 32.2787 178.8800 498 K 4.0074 8.1534 118.7002 59.1780 31.9832 179.1361 499 F 3.5686 8.1701 121.6476 61.0538 39.2346 177.3836 500 W 4.2979 8.0428 118.3807 59.5404 28.7319 178.5048 501 E 4.1593 8.0593 118.5473 59.5374 28.7804 179.1911 502 E 3.9033 8.0844 118.5759 59.1694 29.1738 179.5832 503 V 3.3784 7.0158 117.5159 65.8815 31.7748 178.0620 504 S 4.2466 8.0941 113.7132 60.8605 62.6627 176.0443 505 K 4.2362 7.5054 120.3331 56.6052 32.2207 176.2398 506 D 4.5101 7.4129 120.5576 52.7023 41.2825 174.6564 507 P 4.2446 0.0000 0.0000 66.0970 31.1334 178.4389 508 E 3.8608 8.1343 115.2973 59.0350 29.8013 178.9526 509 L 4.2366 8.3861 119.4296 57.8491 41.8319 179.5334 510 S 4.4138 8.4191 114.6975 61.3506 62.5889 176.4235 511 K 4.2067 7.6031 120.7525 59.0489 32.5918 178.0148 512 Q 4.3321 8.1927 118.7457 55.1703 28.7173 174.7806 513 F 4.9572 7.5533 118.6753 54.9102 42.5603 175.5412 514 S 4.5336 8.4400 117.3959 57.6865 65.1945 175.2028 515 R 3.8751 8.4764 121.6874 59.7290 29.9067 177.7594 516 N 4.2878 8.2344 116.1894 57.0820 38.8468 176.3694 517 N 4.4083 8.1344 117.3463 56.1206 38.5774 177.3210 518 N 4.2805 8.4508 118.2177 56.3621 37.1417 177.0568 519 D 4.3887 8.5313 120.7169 57.4680 40.9116 179.2069 520 R 4.0282 7.8240 117.9608 59.6399 30.0760 179.1283 521 M 4.5813 8.0574 119.8142 57.6949 31.6925 178.7974 522 K 4.1659 8.2198 119.5878 57.7481 32.1252 178.0154 523 V 4.2683 7.1198 110.6480 60.9640 32.0630 176.5900 524 G 4.0257 8.5611 108.0972 45.2314 0.0000 173.2387 525 K 4.5501 7.9679 119.6356 54.5341 33.7926 176.2719 526 A 2.5874 8.2643 126.6928 50.3445 19.2760 175.4686 527 P 4.2999 0.0000 0.0000 62.8106 32.5237 175.9087 528 K 4.6446 9.1019 122.6749 56.7727 32.9181 177.0811 529 T 4.2230 7.5890 113.9647 60.0198 71.1636 174.5493 530 R 4.1310 8.2046 119.5845 56.1483 31.0971 177.9474 531 T 3.8180 8.6405 117.6005 66.9955 68.6069 176.3012 532 Q 3.9674 8.0982 120.6841 58.5228 29.3218 176.3626 533 D 4.6895 8.2965 116.2180 53.9529 41.3105 176.6290 534 V 4.2677 7.2228 113.3024 60.7039 32.9729 176.3497 535 S 4.2872 8.9017 115.9381 58.1929 64.0796 174.9825 536 G 3.7893 8.1449 120.4929 46.6844 0.0000 175.4420 537 K 4.0211 8.8082 124.5953 57.9564 32.1326 177.1886 538 R 4.2765 7.9672 119.3436 55.4390 28.9668 176.1166 539 T 4.7733 8.2001 111.8630 60.6595 69.4462 173.6361 540 S 4.8262 7.5754 114.4708 56.6282 66.3226 173.4868 541 F 4.3487 8.3665 119.6487 58.6296 39.3439 174.7805 542 E 5.0367 9.7322 121.4256 54.6688 33.3585 174.6525 543 L 5.1107 8.6463 121.3083 53.6361 43.5475 175.4305 544 H 5.0036 9.4530 123.7472 54.6482 32.9050 172.3785 545 H 4.7801 8.4114 121.9266 54.6257 29.0489 174.4948 546 E 3.9379 9.1239 126.1677 58.7594 30.1252 176.9761 547 K 4.3427 9.0470 123.5628 53.6887 32.9681 173.6719 548 P 4.4534 0.0000 0.0000 63.0177 32.1014 177.5561 549 I 3.9322 8.5230 122.4195 63.7956 37.1813 178.4185 550 S 4.2536 7.9679 113.3104 60.2780 62.1563 174.4599 551 Q 4.5192 8.1367 121.7084 55.8711 29.0440 176.5370 552 N 4.3012 8.2366 112.7856 53.4176 36.8192 175.2384 553 G 4.1762 6.7823 108.4722 44.4418 0.0000 173.8987 554 G 3.6494 8.4364 112.4718 45.1838 0.0000 173.7379 555 V 3.2115 8.4046 125.3853 65.5238 31.8541 176.3722 556 Y 4.2298 7.5959 115.1195 57.4920 38.3964 174.6594 557 D 4.6754 7.7700 121.2687 53.3677 40.3195 176.7679 558 M 4.3181 9.0375 127.6908 57.4977 32.0478 177.4506 559 D 4.6416 8.2962 117.4548 54.9866 41.4361 176.1255 560 N 4.9837 8.7919 118.0559 53.0652 40.3566 173.2720 561 I 5.1553 7.5892 117.1761 59.7355 40.2646 174.8332 562 S 4.8555 8.7471 119.0190 57.0503 67.2611 172.6621 563 V 4.7716 9.2158 122.1864 61.8257 32.9922 175.2037 564 V 5.1959 9.0029 120.6557 59.6560 36.4470 175.1994 565 T 4.2654 8.6035 112.9068 60.9432 70.0212 174.0171 566 P 4.3919 0.0000 0.0000 65.7293 31.4243 178.5768 567 K 3.8015 7.8337 118.2020 59.8379 32.0088 178.7145 568 R 3.9165 8.0022 118.7162 59.4805 29.9884 177.7979 569 H 4.1730 8.6647 118.5916 59.4492 29.8730 177.2929 570 I 4.2137 7.9840 123.1215 64.1141 37.0440 178.2348 571 D 4.5472 8.0494 119.1759 57.2076 40.3460 178.9105 572 I 3.7685 7.6735 120.0480 64.1459 37.1489 176.9685 573 H 4.6832 8.1918 115.8877 54.8884 29.4922 175.6146 574 R 3.5476 8.8613 117.1141 57.6729 27.8889 177.1963 575 G 4.0769 8.7924 103.9855 45.1334 0.0000 174.1573 576 K 4.1542 7.9048 123.4372 56.4345 32.5785 175.8390 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 446 M 8.16 4.44 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 447 R 7.90 3.58 0.00 1.74 1.89 0.00 3.15 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.60 0.00 448 N 8.91 4.82 0.00 2.77 2.88 0.00 0.00 6.80 7.61 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 0.00 449 K 8.07 4.85 0.00 1.75 1.78 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.40 7.81 450 P 0.00 5.12 0.00 2.10 2.13 0.00 3.48 0.00 0.00 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.88 0.00 451 G 7.96 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 452 K 8.58 5.13 0.00 1.93 1.70 0.00 1.81 0.00 0.00 1.87 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.47 7.81 453 A 9.15 4.85 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 0.00 454 T 9.20 4.89 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 455 G 8.73 4.39 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 0.00 456 K 9.78 4.12 0.00 1.79 1.81 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.38 7.81 457 G 8.92 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 458 K 8.38 4.70 0.00 1.81 1.67 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.41 7.81 459 P 0.00 4.87 0.00 2.17 2.14 0.00 3.32 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 1.99 1.95 0.00 460 V 8.00 4.59 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.66 0.00 0.00 461 N 8.28 4.89 0.00 2.82 2.85 0.00 0.00 6.02 8.04 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 0.00 462 N 8.63 4.88 0.00 2.72 2.86 0.00 0.00 7.11 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 0.00 463 K 8.85 4.67 0.00 1.77 1.68 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.37 7.81 464 W 8.44 4.56 0.00 3.17 3.33 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 0.00 465 L 7.49 4.23 0.00 1.31 1.23 -0.93 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 466 N 8.16 4.30 0.00 2.97 2.85 0.00 0.00 6.96 7.23 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 0.00 467 N 7.90 4.91 0.00 2.91 3.01 0.00 0.00 6.15 7.78 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 0.00 468 A 7.96 4.24 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 0.00 469 G 8.02 3.98 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 0.00 0.00 0.00 470 K 7.33 4.67 0.00 1.89 1.86 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.46 7.81 471 D 8.25 4.18 0.00 2.84 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 0.00 0.00 0.00 0.00 472 L 8.73 4.36 0.00 1.66 1.73 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 473 G 8.05 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 474 S 8.60 4.85 0.00 3.42 3.73 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 0.00 475 P 0.00 4.79 0.00 2.19 2.17 0.00 4.01 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.09 0.00 476 V 8.42 4.17 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 1.27 0.00 0.00 1.18 0.00 0.00 477 P 0.00 4.61 0.00 1.78 1.46 0.00 3.42 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.66 0.00 478 D 9.00 4.78 0.00 2.87 2.97 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 0.00 479 R 7.74 3.89 0.00 1.70 1.90 0.00 3.07 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 480 I 7.44 3.56 1.78 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.29 0.51 0.00 0.00 481 A 8.21 4.13 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 0.00 482 N 7.84 4.29 0.00 2.87 2.88 0.00 0.00 7.07 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 483 K 7.51 4.15 0.00 1.86 1.83 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.55 7.81 484 L 7.97 4.49 0.00 1.91 2.08 0.83 0.88 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 0.00 485 R 7.64 4.29 0.00 1.98 1.89 0.00 3.37 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 486 D 9.09 4.63 0.00 2.87 2.82 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 0.00 487 K 7.87 4.30 0.00 1.79 1.22 0.00 1.66 0.00 0.00 1.52 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.48 7.81 488 E 8.18 4.60 0.00 1.64 1.70 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 2.16 2.18 0.00 489 F 8.72 4.95 0.00 2.42 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 490 K 9.75 4.12 0.00 1.83 1.94 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.75 7.81 491 S 7.75 5.44 0.00 4.16 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 0.00 492 F 8.91 4.35 0.00 3.03 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 0.00 493 D 8.38 4.35 0.00 2.94 2.76 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 0.00 494 D 7.97 4.38 0.00 2.95 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 0.00 495 F 8.12 3.08 0.00 2.75 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 0.00 496 R 8.09 3.55 0.00 1.71 2.05 0.00 3.33 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.62 0.00 497 K 7.99 4.36 0.00 1.92 2.09 0.00 1.79 0.00 0.00 1.80 0.00 0.00 3.18 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.60 1.40 7.81 498 K 8.15 4.01 0.00 2.08 1.86 0.00 1.82 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.92 7.81 499 F 8.17 3.57 0.00 1.83 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 W 8.04 4.30 0.00 3.49 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 501 E 8.06 4.16 0.00 2.19 1.98 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 2.35 2.59 0.00 502 E 8.08 3.90 0.00 1.81 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 2.38 2.34 0.00 503 V 7.02 3.38 2.30 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 0.97 0.00 0.00 0.33 0.00 0.00 504 S 8.09 4.25 0.00 4.10 4.09 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 0.00 505 K 7.51 4.24 0.00 1.82 1.86 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.58 7.81 506 D 7.41 4.51 0.00 2.60 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 507 P 0.00 4.24 0.00 2.18 2.09 0.00 3.61 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 508 E 8.13 3.86 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 2.29 2.31 0.00 509 L 8.39 4.24 0.00 1.79 1.74 0.73 0.22 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 0.00 510 S 8.42 4.41 0.00 4.10 4.45 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 0.00 511 K 7.60 4.21 0.00 1.94 2.17 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.63 1.51 7.81 512 Q 8.19 4.33 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.68 0.00 0.00 0.00 0.00 0.00 2.35 2.71 0.00 513 F 7.55 4.96 0.00 3.35 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 514 S 8.44 4.53 0.00 4.09 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 0.00 515 R 8.48 3.88 0.00 1.97 1.99 0.00 3.27 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 1.71 1.95 0.00 516 N 8.23 4.29 0.00 2.88 2.83 0.00 0.00 7.17 6.71 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 0.00 517 N 8.13 4.41 0.00 2.92 2.90 0.00 0.00 7.06 8.24 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 0.00 518 N 8.45 4.28 0.00 3.09 2.88 0.00 0.00 6.95 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 519 D 8.53 4.39 0.00 2.79 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 0.00 520 R 7.82 4.03 0.00 1.97 1.87 0.00 3.09 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 521 M 8.06 4.58 0.00 2.32 2.03 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.21 0.00 522 K 8.22 4.17 0.00 1.87 1.89 0.00 1.61 0.00 0.00 1.55 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.64 7.81 523 V 7.12 4.27 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 0.69 0.00 0.00 0.99 0.00 0.00 524 G 8.56 4.03 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 0.00 0.00 0.00 525 K 7.97 4.55 0.00 1.81 1.63 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.38 7.81 526 A 8.26 2.59 0.77 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 0.00 527 P 0.00 4.30 0.00 2.33 1.83 0.00 2.20 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.30 0.00 528 K 9.10 4.64 0.00 1.64 1.72 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.50 7.81 529 T 7.59 4.22 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 -0.23 0.00 0.00 530 R 8.20 4.13 0.00 1.86 1.86 0.00 3.16 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 531 T 8.64 3.82 4.22 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 1.19 0.00 0.00 532 Q 8.10 3.97 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.96 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 533 D 8.30 4.69 0.00 2.66 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.22 4.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.97 0.00 0.00 535 S 8.90 4.29 0.00 3.77 3.68 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 0.00 536 G 8.14 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 0.00 537 K 8.81 4.02 0.00 1.75 1.87 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.40 7.81 538 R 7.97 4.28 0.00 2.04 2.05 0.00 3.06 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 539 T 8.20 4.77 4.17 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 0.00 0.00 1.20 0.00 0.00 540 S 7.58 4.83 0.00 3.94 3.70 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 0.00 541 F 8.37 4.35 0.00 2.91 3.21 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 0.00 542 E 9.73 5.04 0.00 1.92 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 2.32 2.52 0.00 543 L 8.65 5.11 0.00 1.81 1.75 0.49 0.44 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 0.00 544 H 9.45 5.00 0.00 2.92 3.06 0.00 5.76 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 545 H 8.41 4.78 0.00 2.86 3.23 0.00 5.96 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 0.00 546 E 9.12 3.94 0.00 1.93 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 2.31 2.28 0.00 547 K 9.05 4.34 0.00 1.75 1.72 0.00 1.69 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.31 1.36 7.81 548 P 0.00 4.45 0.00 2.18 1.96 0.00 3.63 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 549 I 8.52 3.93 1.66 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.30 0.75 0.00 0.00 550 S 7.97 4.25 0.00 3.94 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 0.00 551 Q 8.14 4.52 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 5.83 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 552 N 8.24 4.30 0.00 2.90 2.97 0.00 0.00 6.80 7.61 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 0.00 553 G 6.78 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 0.00 0.00 0.00 0.00 554 G 8.44 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 0.00 0.00 0.00 555 V 8.40 3.21 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.65 0.00 0.00 556 Y 7.60 4.23 0.00 3.15 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 0.00 557 D 7.77 4.68 0.00 2.75 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 0.00 558 M 9.04 4.32 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.99 2.73 0.00 559 D 8.30 4.64 0.00 2.87 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 0.00 560 N 8.79 4.98 0.00 2.91 2.83 0.00 0.00 6.90 7.92 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 0.00 561 I 7.59 5.16 1.86 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.77 0.87 0.00 0.00 562 S 8.75 4.86 0.00 4.05 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 0.00 563 V 9.22 4.77 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 0.87 0.00 0.00 1.05 0.00 0.00 564 V 9.00 5.20 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 0.68 0.00 0.00 0.83 0.00 0.00 565 T 8.60 4.27 4.12 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 1.24 0.00 0.00 566 P 0.00 4.39 0.00 2.29 2.12 0.00 3.62 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 2.08 2.22 0.00 567 K 7.83 3.80 0.00 1.93 1.79 0.00 1.76 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 568 R 8.00 3.92 0.00 1.99 1.92 0.00 3.20 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 569 H 8.66 4.17 0.00 3.39 3.45 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 570 I 7.98 4.21 2.02 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 1.52 1.50 0.90 0.00 0.00 571 D 8.05 4.55 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 0.00 572 I 7.67 3.77 1.93 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.58 0.65 0.00 0.00 573 H 8.19 4.68 0.00 3.32 3.25 0.00 5.76 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 574 R 8.86 3.55 0.00 1.95 1.96 0.00 3.12 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 575 G 8.79 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 576 K 7.90 4.15 0.00 1.81 1.62 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.32 7.81