NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 415 C 4.4824 8.3293 120.8275 59.6249 32.5431 173.2043 416 T 4.3505 8.2442 114.9291 59.5171 70.1193 173.6742 417 I 3.8488 8.5430 116.7884 63.3090 38.8244 177.4597 418 V 4.4510 7.1788 112.1510 58.4943 35.6733 172.9178 419 P 4.4063 0.0000 0.0000 62.2222 31.9234 177.2767 420 A 3.9092 8.2925 121.5654 54.2857 18.3736 177.9656 421 N 3.6423 7.5988 112.1174 52.3002 37.6176 174.3972 422 H 4.2615 7.5458 119.4585 56.4984 30.2832 174.5011 423 F 4.6223 8.4536 125.7105 57.1235 40.2730 174.7852 424 G 3.8440 8.9364 109.8556 43.5530 0.0000 171.3162 425 P 4.5227 0.0000 0.0000 62.5647 32.0382 176.2505 426 I 4.1255 8.0548 121.8337 59.6090 38.0077 174.0089 427 P 4.4215 0.0000 0.0000 64.1817 31.5413 176.8622 428 G 3.9439 9.1615 110.7852 45.3526 0.0000 173.8416 429 V 4.2813 7.2765 119.7306 59.8400 31.5021 173.2360 430 P 4.7231 0.0000 0.0000 61.3419 32.3661 176.7509 431 V 3.8141 8.7574 120.1500 65.0129 31.6440 176.5713 432 G 4.0039 9.0754 115.5177 45.1474 0.0000 174.0280 433 T 3.7727 7.7647 117.1474 64.0694 69.6710 173.2252 434 M 5.0612 7.7984 123.4148 53.2989 36.3820 174.4238 435 W 5.4698 9.1696 121.5618 54.9761 33.1132 176.5468 436 R 3.7109 9.3755 125.3362 58.4521 30.1150 176.7732 437 F 5.1239 7.7842 114.7458 54.9700 42.4548 176.1562 438 R 3.9674 8.8221 122.7121 59.3955 29.7530 179.7650 439 V 3.3770 7.7849 118.5696 64.9000 31.3139 178.3831 440 Q 3.9443 8.0671 118.2089 58.4236 28.2660 178.5635 441 V 2.0000 7.2942 118.8648 65.3161 31.3822 177.8024 442 S 4.5455 7.8234 114.1291 61.1214 62.0911 175.9919 443 E 3.8989 7.9687 119.9647 59.3730 29.2229 179.2878 444 S 4.2995 7.7309 113.2686 59.5937 63.2614 175.5285 445 G 3.8793 8.0043 110.7166 45.2654 0.0000 174.8504 446 V 3.4628 7.3657 119.2093 65.4754 31.8755 175.4492 447 H 4.7241 7.5460 118.9957 53.4743 31.0267 173.6266 448 R 3.8192 8.3682 126.8331 58.3592 30.2539 176.5309 449 P 4.2918 0.0000 0.0000 62.6539 31.8083 176.3806 450 H 4.4089 8.7877 119.8208 58.0241 29.1799 175.9381 451 V 4.1614 7.7384 115.2637 64.1474 33.2631 175.7467 452 A 4.1528 8.0037 120.8327 52.6610 18.8204 177.2769 453 G 4.0608 8.6656 106.6594 46.9457 0.0000 172.9861 454 I 5.2932 7.6590 119.6844 59.4829 41.7395 173.4187 455 H 5.0027 8.9553 128.0878 54.7009 32.2985 172.8008 456 G 3.9833 8.4276 111.0841 46.0598 0.0000 172.1965 457 R 4.8388 8.3437 117.9256 54.2087 33.9631 177.1473 458 S 4.2003 8.7480 115.6862 60.4068 63.4141 174.6033 459 N 4.9360 8.0772 117.3743 53.0015 38.7147 173.7209 460 D 4.6647 9.3771 115.6358 54.6345 43.3258 176.8299 461 G 4.4057 7.0745 104.2369 43.9162 0.0000 170.1873 462 A 4.6021 8.6024 123.5038 50.7664 20.3815 176.8138 463 Y 4.4216 8.3662 121.5065 60.2610 39.0568 175.6598 464 S 5.3015 7.8837 111.3181 57.8008 66.3874 173.8073 465 L 4.7914 8.8614 119.7757 54.6299 44.0735 174.3883 466 V 4.7287 8.5480 120.7891 61.1775 33.6655 174.7880 467 L 4.5357 9.0372 128.7072 53.2485 42.7560 176.8374 468 A 4.7729 8.7467 126.6971 52.1161 20.2606 175.7028 469 G 4.3085 9.0779 113.3570 47.8042 0.0000 179.0540 470 G 3.6559 7.1657 104.3295 45.4565 0.0000 171.9863 471 Y 4.6771 8.2444 115.3696 54.8169 41.6384 177.1734 472 E 3.9988 8.8935 121.5852 59.5186 30.0113 177.6914 473 D 4.6218 8.0587 116.2657 55.0965 41.2342 176.0711 474 D 4.6696 7.6121 119.6627 54.3274 41.7357 176.0283 475 V 4.4184 9.0703 122.3782 61.2399 34.4984 173.7280 476 D 4.9731 8.9956 128.3681 53.0059 41.4838 175.0640 477 N 4.5017 8.7970 123.3933 52.6791 37.9683 175.7509 478 G 2.5986 7.2477 111.2214 45.7108 0.0000 174.6133 479 N 4.9119 7.9142 118.2296 54.4960 40.6455 173.7652 480 Y 5.6645 7.4972 115.4162 56.4300 41.5945 173.4663 481 F 5.5623 9.0568 114.7804 56.1617 41.6345 173.3486 482 T 5.3147 8.9492 111.0996 61.1995 71.0381 173.2113 483 Y 5.1781 8.7647 122.1264 56.9255 42.8228 173.3228 484 T 4.7076 6.9813 119.1176 61.4890 71.1199 175.1721 485 G 4.1561 9.1288 113.8978 46.0298 0.0000 172.1615 486 S 4.8241 9.2063 114.3807 56.6401 65.5667 173.7139 487 G 3.7740 8.4630 106.8744 45.5542 0.0000 173.3582 488 G 4.3745 8.3216 105.2050 45.6749 0.0000 172.8559 *502 S 3.5488 7.9619 112.5374 57.3186 64.8140 172.7433 503 D 4.8393 8.4115 120.4846 54.4921 41.0733 176.6816 504 Q 4.3716 8.8512 122.4334 55.9365 29.5268 175.7766 505 K 4.9234 8.6298 120.1273 54.7902 35.8823 176.8206 506 L 3.8802 8.2222 124.1799 53.5653 40.5293 174.9673 507 T 4.6882 6.8098 111.6983 59.9281 73.7747 175.8313 508 N 3.8860 8.3303 118.8781 54.8093 37.4425 177.8397 509 N 4.4295 8.6110 121.3073 56.6248 38.6326 176.4449 510 N 4.4709 8.0099 119.5581 55.6939 38.5871 177.0833 511 R 3.6403 7.6913 119.4296 58.9502 30.2891 178.0935 512 A 3.8571 7.9049 120.7215 55.3396 18.2278 179.4641 513 L 3.7281 7.7600 118.2871 58.0599 42.0714 178.8946 514 A 3.4107 7.6695 120.3957 54.9586 17.8962 179.5266 515 L 3.9106 7.7293 116.6547 57.9985 41.9270 179.1853 516 N 4.3428 7.8831 116.5665 55.1723 38.5190 175.0719 517 C 4.8349 7.3615 119.6547 59.2494 32.6851 174.0095 518 H 4.6271 8.7572 126.9522 53.8830 27.6416 173.4504 519 S 4.7868 7.3326 112.1812 56.3488 65.3602 173.7431 520 P 4.3874 0.0000 0.0000 62.1876 31.7345 176.2098 521 I 3.7880 8.2681 121.3683 61.4464 38.4461 174.8289 522 N 4.9362 9.2766 125.2337 51.5524 41.0269 174.3148 523 E 4.0239 9.1909 127.2576 59.0055 29.6459 177.4601 524 K 4.3930 8.2469 115.1802 56.0116 32.7058 176.9566 525 G 3.9443 9.9985 104.9117 45.4379 0.0000 172.1575 526 A 4.4915 7.0702 118.8417 50.9056 23.0958 175.0440 527 E 5.1482 8.4431 117.6459 54.2188 32.5927 176.3638 528 A 4.3496 8.9474 125.2831 52.2812 18.8287 177.6725 529 E 3.9138 9.1489 123.1312 58.6053 30.1985 177.1539 530 D 4.8279 8.0209 124.1077 51.5950 42.6514 175.7414 531 W 4.3554 8.9504 125.2141 59.3218 28.3853 178.6270 532 R 3.2678 6.3811 116.3850 57.8835 29.3978 177.2055 533 Q 4.0370 7.5563 115.6183 56.1269 28.9518 176.0343 534 G 3.9542 7.4804 105.9905 45.5563 0.0000 173.7368 535 K 4.3360 8.3565 120.3637 55.1800 32.5437 175.9851 536 P 4.7129 0.0000 0.0000 62.8869 32.6183 175.5815 537 V 4.6973 9.0015 121.9416 61.1351 34.4206 174.7583 538 R 4.7961 9.0655 127.8109 56.2735 31.3598 175.5863 539 V 4.8978 9.2132 124.0301 61.1135 34.3137 174.1559 540 V 5.0366 8.7916 127.8587 61.3195 34.2335 174.1928 541 R 5.0116 9.0118 126.7321 54.7005 32.2359 174.8909 542 N 5.4533 8.9642 122.9075 51.9359 41.3238 175.5625 543 M 4.6331 8.7677 123.3881 57.9640 30.5947 178.8604 544 K 4.2161 8.9547 119.4554 58.4251 32.1920 179.0484 545 G 3.4990 8.4371 106.5587 46.9299 0.0000 175.5657 546 G 3.8950 7.9707 106.8958 46.7646 0.0000 175.5935 547 K 4.1664 7.4843 120.5527 58.8262 32.1935 177.2638 548 H 4.8645 8.0931 110.7086 54.9198 30.1857 173.6338 549 S 4.5499 7.9200 115.6987 56.2061 64.7676 174.3114 550 K 4.0406 8.3844 125.0480 58.1911 32.7978 176.9604 551 Y 3.8822 7.5463 116.5390 58.2434 38.4076 175.9468 552 A 4.1561 7.6028 123.1954 51.0353 19.4550 175.5751 553 P 4.4641 0.0000 0.0000 62.3835 32.1604 177.5398 554 A 4.0367 8.5031 122.7439 54.6230 18.6383 177.7001 555 E 4.6510 7.4302 114.0823 55.2936 33.9403 176.7178 556 G 3.7235 8.5235 111.5713 46.7443 0.0000 172.8522 557 N 5.6181 9.1035 119.5704 51.5664 43.3076 173.4197 558 R 5.0981 9.1233 121.9779 54.8746 33.7881 173.1737 559 Y 5.0261 9.2978 128.3369 57.7293 39.4878 175.0402 560 D 4.5624 8.9682 126.6976 53.9249 42.2090 176.0089 561 G 3.4059 6.5176 104.2014 44.4653 0.0000 171.7229 562 I 5.0014 8.6641 119.8431 60.9071 38.7165 175.1388 563 Y 5.3875 9.5529 123.6950 56.2451 42.3158 174.5596 564 K 5.0341 9.3018 119.3547 54.6567 37.0459 176.1076 565 V 4.3057 8.4651 123.1752 62.7946 31.9617 176.5878 566 V 4.0758 9.2781 130.1012 65.5765 32.7538 175.6515 567 K 5.1983 7.9512 118.5359 55.6983 35.6401 173.7975 568 Y 5.6240 8.9785 123.8382 55.4351 41.6782 173.8772 569 W 5.6743 8.9820 118.2941 54.7483 31.9285 171.8918 570 P 4.1773 0.0000 0.0000 62.0522 32.3332 174.9943 571 E 4.6792 8.2888 118.7488 55.0473 33.4060 174.0624 572 R 4.7166 8.5357 121.9932 55.2399 31.4484 177.1476 573 G 3.9312 8.4826 113.9687 44.5054 0.0000 173.8615 574 K 3.8958 8.7060 118.0394 59.4778 32.1195 178.5837 575 S 4.0146 8.1396 112.0921 60.7092 62.5218 175.3267 576 G 3.8121 7.7660 106.2512 44.5284 0.0000 172.9241 577 F 5.2239 7.8362 118.8600 55.6155 41.5551 175.0138 578 L 4.6414 9.0807 125.1016 54.9322 43.2281 176.0249 579 V 4.7601 8.3695 124.8720 59.5809 35.1457 174.3667 580 W 4.4292 9.5291 122.8607 55.8965 30.4969 175.7095 581 R 4.8055 8.2140 123.2922 54.4125 32.9647 174.4641 582 Y 5.2795 8.6986 118.1687 56.3019 42.9090 173.9163 583 L 5.1472 9.5336 125.3497 53.4892 44.6020 174.8758 584 L 5.2861 8.5626 126.4857 52.9133 44.5914 175.5082 585 R 5.1171 9.0217 122.9074 54.2762 33.4232 174.4307 586 R 3.6241 9.0033 127.2272 56.4786 30.7390 176.3356 587 D 4.8193 8.8504 125.5541 52.1206 41.6300 172.5217 588 D 4.5829 7.8823 119.2416 52.7674 44.4607 175.4243 589 T 4.0814 8.4815 116.5536 63.5951 69.4996 174.7849 590 E 4.1122 8.2191 123.1804 54.9441 29.9860 175.0599 591 P 4.2613 0.0000 0.0000 62.2732 32.1753 176.0153 592 E 3.4043 8.1652 119.5809 55.7337 29.5988 176.6331 593 P 4.2524 0.0000 0.0000 64.5845 31.5006 177.0505 594 W 4.7011 7.0914 113.2073 56.7929 29.1369 176.8723 595 T 4.4609 7.1869 111.2452 60.7165 70.8996 175.4670 596 R 3.9057 8.4269 121.1211 59.7641 30.0738 178.3966 597 E 4.0309 8.1846 117.9402 59.3169 29.4425 179.4982 598 G 3.4559 8.0665 105.7065 47.6679 0.0000 175.8170 599 K 3.9435 8.4838 121.5737 59.3992 31.9863 179.1550 600 D 4.3448 8.2982 119.1309 57.2958 40.6881 178.8687 601 R 3.8427 8.1231 119.2555 59.5660 30.0991 178.3620 602 T 3.8245 8.1736 116.0788 66.9441 68.4136 176.4149 603 R 3.8790 7.9212 120.0932 59.3208 29.8932 178.1684 604 Q 3.9527 8.1002 118.6757 59.0697 29.1596 177.7992 605 L 4.3353 8.0380 117.8225 54.6195 42.0399 177.1939 606 G 3.8075 7.6632 106.3868 46.2109 0.0000 173.6090 607 L 4.1908 7.8193 119.9507 54.2244 42.2358 176.8646 608 T 4.5976 7.8951 111.7570 59.5059 71.9009 173.0613 609 M 3.8329 8.5854 121.7265 56.3953 32.5924 176.2209 610 Q 4.2033 8.7227 124.3018 56.2384 28.9711 175.7090 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 415 C 8.33 4.48 0.00 3.12 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 0.00 416 T 8.24 4.35 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 1.18 0.00 0.00 417 I 8.54 3.85 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.54 0.90 0.00 0.00 418 V 7.18 4.45 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 0.56 0.00 0.00 0.78 0.00 0.00 419 P 0.00 4.41 0.00 2.30 2.14 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.94 0.00 420 A 8.29 3.91 1.16 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 0.00 421 N 7.60 3.64 0.00 2.77 2.74 0.00 0.00 6.01 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 0.00 422 H 7.55 4.26 0.00 3.13 3.19 0.00 5.93 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 423 F 8.45 4.62 0.00 3.08 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 0.00 424 G 8.94 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 0.00 425 P 0.00 4.52 0.00 2.16 2.17 0.00 3.77 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 2.12 2.24 0.00 426 I 8.05 4.13 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.87 0.92 0.00 0.00 427 P 0.00 4.42 0.00 2.03 2.00 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 428 G 9.16 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 0.00 429 V 7.28 4.28 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 1.02 0.00 0.00 1.01 0.00 0.00 430 P 0.00 4.72 0.00 2.29 2.20 0.00 3.79 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 431 V 8.76 3.81 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 0.63 0.00 0.00 0.79 0.00 0.00 432 G 9.08 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.76 3.77 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 0.17 0.00 0.00 434 M 7.80 5.06 0.00 1.83 1.73 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.49 0.00 435 W 9.17 5.47 0.00 3.21 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 0.00 436 R 9.38 3.71 0.00 1.55 1.74 0.00 2.87 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.50 0.00 437 F 7.78 5.12 0.00 3.33 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 0.00 438 R 8.82 3.97 0.00 1.85 2.08 0.00 3.29 0.00 0.00 3.41 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.67 0.00 439 V 7.78 3.38 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 0.77 0.00 0.00 0.84 0.00 0.00 440 Q 8.07 3.94 0.00 2.52 2.38 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 2.59 2.53 0.00 441 V 7.29 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 0.49 0.00 0.00 0.71 0.00 0.00 442 S 7.82 4.55 0.00 3.91 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 0.00 443 E 7.97 3.90 0.00 2.05 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 2.32 2.41 0.00 444 S 7.73 4.30 0.00 4.23 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 445 G 8.00 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 0.00 446 V 7.37 3.46 1.71 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 0.62 0.00 0.00 0.77 0.00 0.00 447 H 7.55 4.72 0.00 3.20 3.03 0.00 5.88 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 448 R 8.37 3.82 0.00 1.49 1.78 0.00 3.11 0.00 0.00 3.10 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 449 P 0.00 4.29 0.00 2.17 1.93 0.00 3.03 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.90 0.00 450 H 8.79 4.41 0.00 3.06 3.34 0.00 5.83 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 451 V 7.74 4.16 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 0.84 0.00 0.00 0.96 0.00 0.00 452 A 8.00 4.15 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 453 G 8.67 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 0.00 454 I 7.66 5.29 1.98 0.00 0.00 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 1.22 1.13 0.98 0.00 0.00 455 H 8.96 5.00 0.00 3.15 3.18 0.00 5.69 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 0.00 456 G 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7.96 3.55 0.00 3.77 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 0.00 503 D 8.41 4.84 0.00 2.61 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 0.00 504 Q 8.85 4.37 0.00 2.05 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.69 0.00 0.00 0.00 0.00 0.00 2.55 2.37 0.00 505 K 8.63 4.92 0.00 1.74 1.74 0.00 1.83 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.56 7.81 506 L 8.22 3.88 0.00 0.95 1.53 -0.20 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 507 T 6.81 4.69 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 0.00 508 N 8.33 3.89 0.00 2.89 2.41 0.00 0.00 6.82 6.92 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 0.00 509 N 8.61 4.43 0.00 2.76 2.83 0.00 0.00 6.86 6.92 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 0.00 510 N 8.01 4.47 0.00 2.91 2.77 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 0.00 511 R 7.69 3.64 0.00 1.89 2.00 0.00 3.04 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.50 0.00 512 A 7.90 3.86 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 0.00 513 L 7.76 3.73 0.00 1.53 1.13 0.71 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 514 A 7.67 3.41 0.36 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 0.00 515 L 7.73 3.91 0.00 1.75 1.68 0.95 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 516 N 7.88 4.34 0.00 2.93 3.03 0.00 0.00 6.54 7.54 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 0.00 517 C 7.36 4.83 0.00 3.22 3.20 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 0.00 518 H 8.76 4.63 0.00 3.32 3.26 0.00 5.78 0.00 0.00 0.00 0.00 7.31 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0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.48 0.00 544 K 8.95 4.22 0.00 1.92 1.97 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.56 7.81 545 G 8.44 3.50 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 0.00 546 G 7.97 3.89 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 0.00 0.00 0.00 547 K 7.48 4.17 0.00 1.60 1.90 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.48 7.81 548 H 8.09 4.86 0.00 3.21 3.39 0.00 5.66 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 549 S 7.92 4.55 0.00 3.54 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 0.00 550 K 8.38 4.04 0.00 1.52 1.63 0.00 1.17 0.00 0.00 1.42 0.00 0.00 2.71 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.82 0.21 7.81 551 Y 7.55 3.88 0.00 2.78 2.24 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 0.00 552 A 7.60 4.16 1.25 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 0.00 0.00 553 P 0.00 4.46 0.00 2.43 2.26 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 554 A 8.50 4.04 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 0.00 555 E 7.43 4.65 0.00 1.85 1.74 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 2.11 2.22 0.00 556 G 8.52 3.72 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 0.00 0.00 0.00 557 N 9.10 5.62 0.00 3.07 2.89 0.00 0.00 6.77 7.50 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 0.00 558 R 9.12 5.10 0.00 1.92 1.83 0.00 3.17 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 559 Y 9.30 5.03 0.00 3.62 3.04 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 0.00 560 D 8.97 4.56 0.00 2.77 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 0.00 561 G 6.52 3.41 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 0.00 562 I 8.66 5.00 2.10 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.10 1.04 0.00 0.00 563 Y 9.55 5.39 0.00 2.87 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 0.00 564 K 9.30 5.03 0.00 2.05 1.84 0.00 1.47 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.46 7.81 565 V 8.47 4.31 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 1.31 0.00 0.00 1.02 0.00 0.00 566 V 9.28 4.08 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 0.73 0.00 0.00 0.69 0.00 0.00 567 K 7.95 5.20 0.00 1.86 1.70 0.00 1.50 0.00 0.00 1.42 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.70 1.53 7.81 568 Y 8.98 5.62 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 0.00 569 W 8.98 5.67 0.00 3.29 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 570 P 0.00 4.18 0.00 1.51 0.49 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 571 E 8.29 4.68 0.00 2.07 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 0.00 1.99 2.22 0.00 572 R 8.54 4.72 0.00 1.67 1.86 0.00 3.16 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 573 G 8.48 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 0.00 0.00 0.00 574 K 8.71 3.90 0.00 1.73 1.88 0.00 1.68 0.00 0.00 1.77 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.49 7.81 575 S 8.14 4.01 0.00 4.01 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 0.00 576 G 7.77 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 577 F 7.84 5.22 0.00 3.02 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 0.00 578 L 9.08 4.64 0.00 1.70 1.50 0.82 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 579 V 8.37 4.76 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 0.56 0.00 0.00 0.78 0.00 0.00 580 W 9.53 4.43 0.00 3.34 3.04 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 0.00 581 R 8.21 4.81 0.00 0.67 0.66 0.00 2.89 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.01 0.00 582 Y 8.70 5.28 0.00 3.01 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 0.00 583 L 9.53 5.15 0.00 2.09 1.76 1.09 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 584 L 8.56 5.29 0.00 0.32 1.18 0.78 0.77 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 0.00 585 R 9.02 5.12 0.00 1.53 1.35 0.00 2.26 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.34 0.00 586 R 9.00 3.62 0.00 1.44 1.66 0.00 3.03 0.00 0.00 2.97 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.92 0.00 587 D 8.85 4.82 0.00 2.64 2.47 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 0.00 588 D 7.88 4.58 0.00 2.70 2.35 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 0.00 589 T 8.48 4.08 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 0.00 590 E 8.22 4.11 0.00 2.11 1.87 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 2.33 2.24 0.00 591 P 0.00 4.26 0.00 2.11 1.96 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.93 0.00 592 E 8.17 3.40 0.00 1.16 1.12 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 1.79 1.94 0.00 593 P 0.00 4.25 0.00 2.12 2.11 0.00 3.13 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.96 0.00 594 W 7.09 4.70 0.00 3.46 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.19 4.46 4.34 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 1.04 0.00 0.00 596 R 8.43 3.91 0.00 1.96 1.98 0.00 3.37 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 597 E 8.18 4.03 0.00 2.03 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 2.38 2.42 0.00 598 G 8.07 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 0.00 599 K 8.48 3.94 0.00 1.96 1.89 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.19 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.77 7.81 600 D 8.30 4.34 0.00 2.88 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 0.00 601 R 8.12 3.84 0.00 1.93 1.99 0.00 3.09 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 602 T 8.17 3.82 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 1.18 0.00 0.00 603 R 7.92 3.88 0.00 1.90 2.06 0.00 3.10 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 604 Q 8.10 3.95 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 605 L 8.04 4.34 0.00 1.63 1.68 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 606 G 7.66 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 607 L 7.82 4.19 0.00 1.60 1.51 0.91 0.57 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 0.00 608 T 7.90 4.60 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 1.22 0.00 0.00 609 M 8.59 3.83 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 610 Q 8.72 4.20 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.32 0.00 0.00 0.00 0.00 0.00 2.38 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.