NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 429 I 4.0243 8.0093 114.2409 60.6108 39.6979 175.6142 430 H 4.1880 7.2627 116.3253 54.3211 29.4053 174.8963 431 R 3.6178 7.3682 121.1812 59.6206 30.5574 177.9289 432 T 4.2653 7.3768 103.7458 61.2670 69.6991 174.7385 433 Q 3.6558 7.3283 122.5864 56.1309 28.9474 177.2313 434 H 4.2070 8.0857 118.3738 57.8858 29.0812 176.1784 435 W 4.6136 7.0446 115.2062 56.5533 29.5312 175.3222 436 F 5.2133 7.5824 124.0647 57.4576 39.4321 174.6991 437 H 4.4069 8.8911 123.5403 54.2832 29.1037 177.6934 438 G 3.5858 6.1225 107.6612 47.2099 0.0000 176.5023 439 R 4.2447 8.4568 117.3756 54.7947 28.9332 175.7456 440 I 4.4156 6.9936 111.5674 58.9172 40.4204 177.0770 441 S 4.4077 8.2126 117.5323 57.8967 65.0795 175.3669 442 R 3.8953 8.3802 121.4648 59.5661 29.7901 178.0826 443 E 3.8713 8.1260 117.8711 59.5087 29.4532 178.8515 444 E 3.9312 8.1802 119.1137 59.3511 29.6514 178.9187 445 S 4.1135 8.1674 115.1318 62.0929 62.9264 176.4838 446 H 4.1204 8.5482 118.8945 58.7889 28.3223 177.8730 447 R 3.9074 8.1577 120.5861 59.3989 29.9057 178.6565 448 I 3.6914 8.1366 119.9873 64.5146 37.1549 178.5213 449 I 3.7100 7.9117 120.6639 64.2221 36.4423 178.6999 450 K 3.9815 8.1893 119.3302 59.7205 31.7357 179.5493 451 Q 4.1290 8.2616 116.9008 58.0710 28.5437 177.5853 452 Q 4.5657 7.5831 117.8811 56.0334 29.3698 175.6488 453 G 3.9453 8.5400 111.9437 44.5827 0.0000 174.5701 454 L 3.6280 7.7507 119.9225 55.8331 41.4757 174.6765 455 V 4.1385 7.4778 107.9621 59.6513 32.9109 175.6483 456 D 4.7562 8.4493 122.2654 56.2074 41.1095 177.4182 457 G 3.9616 9.3253 112.2028 45.0131 0.0000 172.6344 458 L 4.8786 7.8148 123.1866 55.0560 43.3924 175.7529 459 F 5.8232 9.3994 120.1596 56.6981 42.0640 172.4768 460 L 4.7535 8.3767 117.3051 54.9590 43.4312 173.8009 461 L 5.6393 9.2072 119.9520 53.4384 45.6495 175.6932 462 R 4.5316 8.8583 116.6823 54.8820 33.5199 173.8040 463 D 5.1574 9.0071 120.1448 54.1850 42.0003 176.3600 464 S 4.4273 8.4539 117.6124 58.7362 62.6360 174.3340 465 Q 4.3183 8.8822 124.2637 56.8609 29.1787 176.6080 466 S 4.5434 7.9935 110.6285 57.7775 65.2099 173.3103 467 N 4.8326 8.3982 120.1367 50.6836 39.9808 172.8195 468 P 4.3930 0.0000 0.0000 64.4645 31.3845 176.8697 469 K 4.3407 8.4789 117.1074 55.9589 33.1118 175.0052 470 A 4.8931 7.6892 121.3225 50.1322 22.7547 175.2210 471 F 5.4511 9.0385 116.7413 55.9845 44.2645 174.3225 472 V 4.9831 9.2955 119.0087 61.3717 35.1138 173.5506 473 L 5.1425 9.2279 130.1202 53.9529 44.1219 174.8521 474 T 5.1370 8.8863 123.5197 61.8650 70.8458 173.3052 475 L 5.3271 9.1930 128.3496 53.3937 46.1925 174.2975 476 C 5.2728 8.8731 125.1681 57.9862 34.0615 172.3051 477 H 5.0445 9.1268 125.1249 56.2934 32.7663 172.8494 478 H 4.1519 9.9074 124.7705 57.5234 26.5685 175.0436 479 Q 3.5576 8.3281 112.2627 56.4483 26.8164 173.6360 480 K 4.5938 7.9393 117.8003 54.5629 34.2282 175.1229 481 I 4.6481 8.2344 124.3158 60.3642 38.2599 175.2767 482 K 4.6031 9.4054 126.2176 54.5144 35.5148 174.7402 483 N 5.4188 8.3965 120.5373 51.4242 41.3955 173.8040 484 F 4.7641 9.2469 122.3902 55.5301 42.1459 174.5916 485 Q 4.6098 8.8698 123.6142 55.9176 30.1609 175.1577 486 I 4.8146 9.2358 125.9752 60.1265 38.8928 174.5818 487 L 5.2094 8.8084 128.0576 52.1613 44.1580 174.7959 488 P 4.4521 0.0000 0.0000 63.1285 31.8711 175.9032 489 C 4.5653 9.2111 117.1332 59.8721 30.6961 173.9905 *495 T 4.2955 7.7970 114.9348 63.2944 69.0108 173.4338 496 F 5.0463 8.7380 124.3248 55.5913 43.1253 174.2242 497 F 5.5733 9.5835 118.5057 56.3595 42.8052 174.4579 498 S 5.2420 8.9825 114.1110 57.4539 66.0174 174.7224 499 L 5.3219 9.2296 123.8155 54.7021 41.4847 175.9553 500 D 4.9348 7.4879 118.2448 53.4569 39.3805 175.2835 501 D 4.1309 9.3578 111.3364 56.2124 39.9359 173.9634 502 G 4.0137 8.2360 104.6653 44.8202 0.0000 175.2014 503 N 4.4118 8.0144 117.1048 55.5635 38.7288 175.5679 504 T 4.3074 8.3823 114.3553 61.4363 71.2895 173.3120 505 K 4.7653 7.9024 125.2597 54.4097 35.1146 175.5655 506 F 5.1239 8.9889 120.1804 55.6073 42.6755 176.5300 507 S 4.4131 9.8880 118.8087 61.0957 63.5541 173.9570 508 D 4.4896 7.7144 119.3377 51.5658 42.6652 176.1401 509 L 3.8332 7.8520 118.8619 57.5710 41.3353 179.8678 510 I 4.0061 7.8519 119.6479 64.5082 37.2163 177.9646 511 Q 3.9768 8.7272 120.7160 58.9379 28.8658 178.0177 512 L 2.4400 7.5037 120.8373 57.6447 42.0563 179.1319 513 V 3.1755 7.5942 118.4066 66.0111 30.7374 177.6135 514 D 4.4832 8.1336 118.7489 57.2197 40.5942 178.7705 515 F 3.9384 8.0063 121.0385 61.4764 39.4714 176.5686 516 Y 4.8443 7.6026 115.8366 59.0483 37.4195 177.5774 517 Q 4.1972 7.4476 120.0094 56.7505 29.0331 176.4066 518 L 4.4753 6.7624 114.2160 54.3143 43.7719 176.2110 519 N 4.7249 7.5835 116.3714 50.8171 42.1412 175.0385 520 K 3.8030 8.8951 124.7044 58.9959 33.4819 176.7660 521 G 4.0267 7.7587 106.6656 47.2677 0.0000 175.4204 522 V 3.9312 8.5148 116.3840 62.0309 31.9876 176.4005 523 L 3.8699 7.4756 121.2859 53.3516 41.9647 176.4198 524 P 4.1813 0.0000 0.0000 65.4553 31.4517 175.5089 525 C 4.4949 6.7740 111.7760 57.1549 32.3666 173.4752 526 K 4.1872 8.1986 119.4965 55.7136 32.3893 177.0750 527 L 3.8309 8.3921 122.0643 54.6723 41.7036 176.3334 528 K 4.2831 8.8982 124.1900 57.7210 33.7060 175.5056 529 H 5.2814 8.1660 115.9850 54.0848 32.1993 172.1014 530 H 4.2830 8.7850 118.3378 54.4409 30.0879 174.7677 531 C 4.4416 8.5910 119.1497 59.6801 28.7568 173.7037 532 I 3.9908 8.7167 124.9712 60.6657 37.4793 176.5224 533 R 3.8496 8.6634 122.8464 56.7385 29.8270 176.4377 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 429 I 8.01 4.02 1.82 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 1.07 0.88 0.00 0.00 430 H 7.26 4.19 0.00 2.94 3.36 0.00 5.49 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 431 R 7.37 3.62 0.00 1.58 1.87 0.00 3.22 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 432 T 7.38 4.27 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 433 Q 7.33 3.66 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.85 0.00 0.00 0.00 0.00 0.00 1.95 1.61 0.00 434 H 8.09 4.21 0.00 2.96 3.24 0.00 5.69 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 435 W 7.04 4.61 0.00 3.35 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 0.00 436 F 7.58 5.21 0.00 2.71 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 0.00 437 H 8.89 4.41 0.00 2.88 3.20 0.00 5.88 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 0.00 438 G 6.12 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 439 R 8.46 4.24 0.00 1.83 1.93 0.00 3.23 0.00 0.00 3.30 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 440 I 6.99 4.42 1.87 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 1.42 0.59 0.92 0.00 0.00 441 S 8.21 4.41 0.00 4.19 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 442 R 8.38 3.90 0.00 1.89 1.92 0.00 3.16 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.73 0.00 443 E 8.13 3.87 0.00 2.07 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 2.38 2.39 0.00 444 E 8.18 3.93 0.00 2.09 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 2.31 2.40 0.00 445 S 8.17 4.11 0.00 4.15 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 0.00 446 H 8.55 4.12 0.00 3.37 3.37 0.00 5.82 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 447 R 8.16 3.91 0.00 1.97 2.12 0.00 3.10 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.68 0.00 448 I 8.14 3.69 2.01 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 1.53 0.62 0.89 0.00 0.00 449 I 7.91 3.71 1.85 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 1.50 1.05 0.91 0.00 0.00 450 K 8.19 3.98 0.00 1.96 1.86 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.70 7.81 451 Q 8.26 4.13 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.34 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 452 Q 7.58 4.57 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.28 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 453 G 8.54 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 0.00 0.00 0.00 454 L 7.75 3.63 0.00 1.74 1.71 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 455 V 7.48 4.14 2.12 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 0.93 0.00 0.00 0.98 0.00 0.00 456 D 8.45 4.76 0.00 2.70 2.68 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 0.00 457 G 9.33 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 0.00 458 L 7.81 4.88 0.00 1.99 1.66 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 459 F 9.40 5.82 0.00 3.22 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 0.00 460 L 8.38 4.75 0.00 1.59 1.56 0.89 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 461 L 9.21 5.64 0.00 2.26 2.01 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 462 R 8.86 4.53 0.00 1.96 1.90 0.00 2.98 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 463 D 9.01 5.16 0.00 2.69 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 0.00 464 S 8.45 4.43 0.00 3.92 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 0.00 465 Q 8.88 4.32 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.65 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 466 S 7.99 4.54 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 0.00 467 N 8.40 4.83 0.00 2.67 2.67 0.00 0.00 6.79 7.73 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 0.00 468 P 0.00 4.39 0.00 2.21 2.16 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 469 K 8.48 4.34 0.00 1.83 1.85 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.33 7.81 470 A 7.69 4.89 1.26 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 0.00 0.00 0.00 471 F 9.04 5.45 0.00 3.05 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 0.00 472 V 9.30 4.98 2.19 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 1.02 0.00 0.00 1.07 0.00 0.00 473 L 9.23 5.14 0.00 1.81 1.63 0.99 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 474 T 8.89 5.14 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 475 L 9.19 5.33 0.00 1.80 1.63 1.01 0.80 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 0.00 476 C 8.87 5.27 0.00 3.07 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 0.00 477 H 9.13 5.04 0.00 3.18 3.09 0.00 5.98 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 478 H 9.91 4.15 0.00 3.21 3.26 0.00 5.86 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 479 Q 8.33 3.56 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.69 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 480 K 7.94 4.59 0.00 1.91 1.70 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.60 1.54 7.81 481 I 8.23 4.65 1.74 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 1.31 0.65 0.65 0.00 0.00 482 K 9.41 4.60 0.00 1.70 1.33 0.00 1.52 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.60 7.81 483 N 8.40 5.42 0.00 2.46 2.68 0.00 0.00 6.78 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 0.00 484 F 9.25 4.76 0.00 2.86 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 485 Q 8.87 4.61 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.87 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 486 I 9.24 4.81 2.28 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 1.36 0.98 1.22 0.00 0.00 487 L 8.81 5.21 0.00 1.68 1.62 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 488 P 0.00 4.45 0.00 1.92 1.96 0.00 3.76 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 1.97 2.01 0.00 489 C 9.21 4.57 0.00 2.95 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 *495 T 7.80 4.30 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 0.75 0.00 0.00 496 F 8.74 5.05 0.00 2.94 3.01 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 0.00 0.00 0.00 497 F 9.58 5.57 0.00 3.19 3.15 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 0.00 0.00 0.00 498 S 8.98 5.24 0.00 4.05 3.75 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 0.00 499 L 9.23 5.32 0.00 1.84 1.81 0.67 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 500 D 7.49 4.93 0.00 2.86 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 0.00 501 D 9.36 4.13 0.00 2.85 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 0.00 502 G 8.24 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 503 N 8.01 4.41 0.00 3.04 2.89 0.00 0.00 6.70 7.55 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 0.00 504 T 8.38 4.31 4.32 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 0.63 0.00 0.00 505 K 7.90 4.77 0.00 1.34 1.52 0.00 1.39 0.00 0.00 1.49 0.00 0.00 2.73 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.23 1.28 7.81 506 F 8.99 5.12 0.00 3.20 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 507 S 9.89 4.41 0.00 4.05 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 0.00 508 D 7.71 4.49 0.00 2.80 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 0.00 509 L 7.85 3.83 0.00 1.54 1.64 -0.53 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 510 I 7.85 4.01 2.13 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 1.83 0.76 1.06 0.00 0.00 511 Q 8.73 3.98 0.00 2.22 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.72 2.53 0.00 512 L 7.50 2.44 0.00 1.51 1.51 1.02 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 513 V 7.59 3.18 1.44 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 0.34 0.00 0.00 -0.34 0.00 0.00 514 D 8.13 4.48 0.00 2.95 2.71 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 0.00 515 F 8.01 3.94 0.00 3.14 2.65 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 0.00 516 Y 7.60 4.84 0.00 2.80 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 517 Q 7.45 4.20 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 518 L 6.76 4.48 0.00 1.36 1.51 0.85 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 519 N 7.58 4.72 0.00 1.44 2.22 0.00 0.00 6.46 6.65 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 0.00 520 K 8.90 3.80 0.00 1.73 1.77 0.00 1.81 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.50 1.43 7.81 521 G 7.76 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 0.00 522 V 8.51 3.93 2.13 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 0.81 0.00 0.00 0.85 0.00 0.00 523 L 7.48 3.87 0.00 1.66 1.25 0.23 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 524 P 0.00 4.18 0.00 1.99 2.23 0.00 3.72 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 1.96 2.08 0.00 525 C 6.77 4.49 0.00 2.91 2.65 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 0.00 526 K 8.20 4.19 0.00 1.67 1.85 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.73 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.37 7.81 527 L 8.39 3.83 0.00 1.06 0.13 0.12 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 528 K 8.90 4.28 0.00 1.67 1.83 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.88 1.26 7.81 529 H 8.17 5.28 0.00 3.13 3.12 0.00 5.66 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 530 H 8.78 4.28 0.00 2.77 2.91 0.00 5.53 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 531 C 8.59 4.44 0.00 2.71 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 532 I 8.72 3.99 1.86 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 1.24 0.40 0.90 0.00 0.00 533 R 8.66 3.85 0.00 1.72 1.75 0.00 3.16 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.51 0.00 * Residues marked with a * may have inaccurate shift predictions.