NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 496 S 4.4607 8.3349 116.7922 58.4535 64.2621 172.7074 497 I 4.4614 8.0187 123.5732 58.5153 40.9486 172.7952 498 L 4.5906 8.4234 124.0915 53.8883 44.0102 176.0883 499 H 4.9066 8.3801 125.3354 55.2903 31.1773 170.7180 500 Q 4.5070 8.6360 121.6559 53.3274 31.6309 174.1002 501 L 5.0529 7.9882 123.1110 53.0282 44.0535 175.9044 502 F 4.8828 8.8102 120.5451 55.6771 43.3366 174.0275 503 I 4.5749 8.4259 123.3629 61.3513 38.4482 175.3961 504 V 5.0520 9.1781 119.1209 59.9758 36.9058 174.3717 505 R 5.3075 9.2850 120.7189 54.5009 33.7178 174.6424 506 F 4.4498 9.4771 127.6864 58.4064 39.4293 174.6818 507 L 4.0839 8.0281 126.2009 54.5994 43.1003 176.8911 508 G 3.6402 5.3800 105.0852 46.1753 0.0000 171.2852 509 S 5.5384 7.9269 112.9272 56.7410 66.3209 173.3926 510 M 4.7751 7.9354 118.8680 53.6423 36.4686 173.9649 511 E 4.4571 8.6845 123.5158 56.4588 30.6906 175.8132 512 V 4.6175 8.3842 118.4754 59.2789 36.1344 175.3548 513 K 4.2302 8.4709 120.5618 56.5143 32.9996 178.4741 514 S 4.6413 8.1875 118.6320 57.9762 62.6761 173.7311 515 D 4.9128 7.7004 131.7481 53.5875 39.4758 177.3700 516 D 5.2450 8.2066 135.0000 54.3726 40.3058 175.4155 517 H 4.8793 7.2012 119.6298 53.3894 32.8798 172.3971 518 P 3.8407 0.0000 0.0000 65.2710 31.0455 178.4602 519 D 4.4145 7.7862 117.4892 56.9652 40.7240 178.4119 520 V 3.5169 7.8369 119.2884 65.8707 31.4437 178.2487 521 V 3.3922 7.2932 117.2099 66.1941 31.4762 177.2692 522 Y 4.4191 7.0359 115.8678 61.4470 37.7599 178.7598 523 E 4.0392 8.8283 119.6224 59.7646 29.5386 179.6466 524 T 3.8757 7.9894 115.8512 66.6289 68.4807 176.7716 525 M 3.9970 8.4944 121.1799 58.2798 31.9384 178.7985 526 R 3.8185 7.9711 118.7285 59.5980 30.3703 178.3517 527 Q 3.9115 8.1385 119.3048 59.1159 28.9352 178.4496 528 I 3.6459 7.7494 120.9077 64.2976 37.3100 178.3334 529 L 3.8740 7.9030 119.6011 57.5211 41.2937 179.5590 530 A 3.8680 8.1825 120.6085 55.1510 18.3382 179.4601 531 A 3.9356 7.9925 119.2941 55.3084 18.4022 180.0329 532 R 3.7391 8.0563 116.2006 59.4093 30.1899 179.1933 533 A 3.7551 7.6849 120.1022 55.2392 18.1633 179.7299 534 I 3.6721 7.7701 117.3116 63.9788 37.0728 177.3705 535 H 4.7687 7.5878 114.3731 54.4553 29.2231 174.0626 536 N 4.2439 7.8415 117.4066 54.6754 37.7364 173.9169 537 I 4.4470 8.0655 117.4852 59.7033 38.2580 175.8894 538 F 4.6236 8.7937 122.9801 57.7124 41.4947 176.0452 539 R 4.1509 8.0501 119.3127 57.1638 30.3281 175.2862 540 M 4.8122 8.1938 120.9725 54.3063 36.2235 174.4320 541 T 4.4902 8.6564 119.7995 62.6094 70.0935 173.2582 542 E 5.0276 8.8570 128.1489 55.5731 31.1131 175.1049 543 S 4.8592 9.4497 121.6551 57.8304 68.7939 171.9755 544 H 5.3598 9.2973 118.0350 54.3141 30.7999 174.0179 545 L 4.8049 9.4361 127.0045 54.0228 43.5570 174.7424 546 L 5.0650 9.1328 129.0733 53.2713 44.3788 174.8467 547 V 4.7374 8.5652 126.3967 61.3617 33.5970 174.4736 548 T 4.9498 8.5507 117.2422 59.6616 72.4000 174.4528 549 C 4.2890 8.8492 115.1387 59.7651 30.3421 173.8394 550 D 4.6845 7.3703 120.1904 55.4485 42.1866 175.2071 551 C 5.2304 7.6879 112.3198 57.9235 33.6976 172.5089 552 L 5.2255 8.4644 118.7631 52.9703 43.9559 176.3357 553 K 5.1250 8.9690 121.5734 54.6229 36.9130 175.1034 554 L 5.1725 8.8620 123.2071 53.2393 44.1240 175.5696 555 I 4.9575 8.9675 125.0402 59.2682 40.8370 174.4662 556 D 4.7012 9.0780 126.2805 53.4827 41.5489 174.8082 557 P 3.9036 0.0000 0.0000 65.8840 31.6379 177.4794 558 Q 4.1243 8.1572 116.8369 59.0737 29.2338 177.1035 559 T 3.9767 8.2059 106.4699 62.6312 69.0979 175.0415 560 Q 3.6706 8.3347 119.6658 56.6118 26.8201 172.9140 561 V 4.1132 7.2185 117.7507 62.2133 33.1815 175.1800 562 T 4.6468 8.4415 124.8966 63.4155 68.1890 174.6485 563 R 4.2440 9.0588 125.1758 58.4888 30.6359 177.0029 564 L 4.7306 7.6186 117.3947 53.1249 46.4513 175.2578 565 T 4.9050 7.7649 110.7092 59.9732 72.0832 173.0004 566 F 4.8237 9.3701 122.8668 54.8178 42.6256 172.9289 567 P 4.4998 0.0000 0.0000 62.3400 31.9054 176.7760 568 L 3.8665 8.5816 126.0421 57.7032 42.0117 177.1841 569 P 4.4637 0.0000 0.0000 64.7911 31.5708 176.5077 570 C 4.3686 8.3299 116.9516 60.5895 28.6529 173.5410 571 V 4.4859 7.3421 120.2642 62.1381 29.3730 175.3543 572 V 4.1139 8.2763 126.0639 63.1239 32.6073 176.6092 573 L 4.8766 7.8723 120.2852 53.5008 46.1840 174.5643 574 Y 5.3084 7.5410 118.0003 56.3700 40.5816 173.3152 575 A 4.5887 8.9408 121.7704 51.9640 23.6952 175.1223 576 T 5.3868 8.2933 113.6202 59.8235 70.9810 172.7757 577 H 4.7802 8.7039 124.5809 54.9495 30.7101 175.9652 578 Q 3.9736 8.4266 124.9270 59.0407 28.2829 177.1760 579 E 4.3490 8.0437 114.7953 55.8614 30.0757 175.8604 580 N 4.4817 7.9115 115.5174 53.0452 40.4969 174.6993 581 K 4.7152 8.2257 122.3327 57.0587 32.4128 178.9437 582 R 4.2298 8.6019 119.2991 57.7463 31.3445 176.1115 583 L 5.2665 8.0677 119.8078 53.2863 43.9816 175.5365 584 F 5.4536 9.5912 124.6180 57.0525 43.4329 173.3447 585 G 4.4284 8.4181 110.8633 45.2622 0.0000 171.5527 586 F 5.3885 8.2744 115.0169 55.3672 42.0070 173.0073 587 V 4.8140 9.1039 120.3030 61.1692 34.0039 173.9108 588 L 5.0512 9.2367 130.5312 53.5774 43.9956 174.7123 589 R 4.9090 8.9363 127.5828 55.0942 31.4257 174.9605 590 T 4.5415 8.5113 123.7916 62.1067 70.8540 174.8008 591 S 4.3345 8.6010 120.6225 57.5598 61.3374 173.3779 *599 L 4.3229 8.0234 128.5069 54.0076 43.8970 176.2852 600 S 4.6880 7.8885 111.1016 56.8233 65.9453 172.3672 601 S 5.2951 8.7426 121.8580 56.8113 67.3127 173.0094 602 V 4.6461 8.5710 122.2475 61.2716 35.0453 173.4255 603 C 4.9467 8.9718 128.3883 57.9997 33.5843 171.5832 604 Y 4.7863 8.5304 124.3034 56.1893 40.0892 174.6023 605 I 4.8615 8.4246 124.9417 59.5363 40.1409 174.8129 606 F 5.5232 9.9355 124.7808 55.7726 43.7948 173.1828 607 E 5.4342 9.5102 120.8967 54.7946 32.6561 174.6626 608 S 5.0057 9.3542 119.2119 56.0613 66.7269 174.2079 609 N 4.6420 7.7660 115.2275 53.0917 36.6142 174.8443 610 N 4.2459 7.9203 109.0845 55.1704 37.9944 173.7426 611 E 4.6554 8.0512 112.6153 55.5718 30.6479 178.2502 612 G 3.7697 8.3286 109.3700 48.2285 0.0000 175.9041 613 E 3.9972 8.0811 121.1080 58.8669 29.7954 178.7462 614 K 3.9341 7.9281 118.0778 59.4163 32.0400 179.2288 615 I 2.6023 7.4116 120.1540 64.2061 36.8080 178.2270 616 C 4.2061 7.6164 116.9700 63.0568 27.9049 176.0064 617 D 4.3916 8.2839 120.5167 57.2569 40.2776 178.7738 618 S 4.0627 8.1025 113.6922 61.3067 62.3537 176.4018 619 V 3.4310 7.8398 121.1908 65.8273 31.2333 177.9856 620 G 3.7847 8.2355 105.8290 48.0113 0.0000 175.3158 621 L 3.9847 8.2188 122.9585 57.6109 42.0681 178.8271 622 A 3.9912 8.2235 121.1756 55.1896 18.2817 179.8307 623 K 4.0073 8.4095 117.2704 59.5048 32.0452 179.7267 624 Q 4.0280 8.0105 118.6090 58.9129 28.6134 178.6850 625 I 3.7227 7.9104 120.7234 64.2807 37.1461 178.3725 626 A 4.0095 8.0618 121.7436 55.0085 18.2015 179.4664 627 L 3.9267 8.1764 119.0402 58.3341 42.1357 178.5892 628 H 4.0506 8.4440 118.0691 59.3415 29.6157 177.0372 629 A 4.0020 7.7732 121.0627 55.1922 18.2507 178.8638 630 E 4.0061 7.9661 116.8815 59.2635 29.8270 178.5364 631 L 4.1843 7.8669 117.1166 55.2263 42.3535 176.6027 632 D 4.5927 7.1868 118.6399 52.8551 42.1516 176.2344 633 R 4.0972 8.5095 122.9772 56.7402 30.0041 176.5783 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 496 S 8.33 4.46 0.00 3.86 3.85 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 0.00 0.00 0.00 497 I 8.02 4.46 1.86 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 1.29 0.70 0.91 0.00 0.00 498 L 8.42 4.59 0.00 1.55 1.54 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 499 H 8.38 4.91 0.00 3.14 3.08 0.00 5.73 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 500 Q 8.64 4.51 0.00 1.94 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.55 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 501 L 7.99 5.05 0.00 1.26 1.35 0.87 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 502 F 8.81 4.88 0.00 2.87 2.77 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 0.00 503 I 8.43 4.57 1.94 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 1.42 0.83 1.00 0.00 0.00 504 V 9.18 5.05 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 0.69 0.00 0.00 0.97 0.00 0.00 505 R 9.29 5.31 0.00 1.83 1.90 0.00 3.20 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 506 F 9.48 4.45 0.00 3.12 3.07 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 0.00 507 L 8.03 4.08 0.00 1.30 1.41 0.86 0.84 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 0.00 508 G 5.38 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 509 S 7.93 5.54 0.00 3.33 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 0.00 510 M 7.94 4.78 0.00 1.85 1.81 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 511 E 8.68 4.46 0.00 1.94 1.80 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 2.26 2.46 0.00 512 V 8.38 4.62 2.04 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 0.67 0.00 0.00 0.93 0.00 0.00 513 K 8.47 4.23 0.00 2.09 1.72 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.44 7.81 514 S 8.19 4.64 0.00 3.86 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 0.00 515 D 7.70 4.91 0.00 2.65 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 0.00 0.00 0.00 516 D 8.21 5.25 0.00 2.77 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 0.00 517 H 7.20 4.88 0.00 3.15 3.11 0.00 5.89 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 518 P 0.00 3.84 0.00 1.83 1.69 0.00 2.76 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.94 0.00 519 D 7.79 4.41 0.00 2.79 2.77 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 0.00 520 V 7.84 3.52 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 0.93 0.00 0.00 0.98 0.00 0.00 521 V 7.29 3.39 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 0.89 0.00 0.00 0.73 0.00 0.00 522 Y 7.04 4.42 0.00 3.19 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 0.00 523 E 8.83 4.04 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 2.35 2.49 0.00 524 T 7.99 3.88 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 1.08 0.00 0.00 525 M 8.49 4.00 0.00 2.04 2.34 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.56 0.00 526 R 7.97 3.82 0.00 1.90 2.07 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 1.62 0.00 527 Q 8.14 3.91 0.00 2.22 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.60 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 528 I 7.75 3.65 1.81 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.58 0.70 0.00 0.00 529 L 7.90 3.87 0.00 1.77 1.63 0.89 0.75 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 0.00 530 A 8.18 3.87 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 0.00 531 A 7.99 3.94 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 0.00 532 R 8.06 3.74 0.00 1.89 1.98 0.00 3.14 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 533 A 7.68 3.76 1.19 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 0.00 0.00 534 I 7.77 3.67 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.59 0.66 0.00 0.00 535 H 7.59 4.77 0.00 3.18 3.28 0.00 5.81 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 536 N 7.84 4.24 0.00 2.92 2.94 0.00 0.00 7.01 8.10 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 0.00 537 I 8.07 4.45 1.89 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 1.32 0.88 0.90 0.00 0.00 538 F 8.79 4.62 0.00 2.91 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 0.00 539 R 8.05 4.15 0.00 1.83 1.91 0.00 3.28 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 540 M 8.19 4.81 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.56 0.00 541 T 8.66 4.49 4.46 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 1.32 0.00 0.00 542 E 8.86 5.03 0.00 2.06 1.91 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 2.33 2.61 0.00 543 S 9.45 4.86 0.00 3.83 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 0.00 544 H 9.30 5.36 0.00 3.01 3.17 0.00 5.62 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 545 L 9.44 4.80 0.00 1.64 1.57 0.83 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 546 L 9.13 5.06 0.00 1.61 1.44 0.83 0.38 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 0.00 547 V 8.57 4.74 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 0.86 0.00 0.00 0.92 0.00 0.00 548 T 8.55 4.95 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 1.16 0.00 0.00 549 C 8.85 4.29 0.00 3.17 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 0.00 550 D 7.37 4.68 0.00 2.75 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 0.00 551 C 7.69 5.23 0.00 3.12 2.98 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 0.00 552 L 8.46 5.23 0.00 1.52 1.49 0.72 0.09 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 0.00 553 K 8.97 5.12 0.00 1.65 1.63 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.37 7.81 554 L 8.86 5.17 0.00 1.62 1.65 0.85 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 555 I 8.97 4.96 1.90 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 1.11 0.75 0.95 0.00 0.00 556 D 9.08 4.70 0.00 2.77 2.54 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 0.00 557 P 0.00 3.90 0.00 2.02 1.99 0.00 3.70 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 2.01 1.88 0.00 558 Q 8.16 4.12 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.13 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 559 T 8.21 3.98 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 1.21 0.00 0.00 560 Q 8.33 3.67 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 561 V 7.22 4.11 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 0.96 0.00 0.00 0.93 0.00 0.00 562 T 8.44 4.65 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 1.25 0.00 0.00 563 R 9.06 4.24 0.00 1.78 2.06 0.00 3.08 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.63 0.00 564 L 7.62 4.73 0.00 1.49 0.93 1.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 565 T 7.76 4.90 4.15 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 1.13 0.00 0.00 566 F 9.37 4.82 0.00 2.78 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 0.00 567 P 0.00 4.50 0.00 2.21 2.00 0.00 3.71 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 2.14 2.08 0.00 568 L 8.58 3.87 0.00 1.83 1.66 0.77 0.60 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 0.00 569 P 0.00 4.46 0.00 2.24 2.18 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 570 C 8.33 4.37 0.00 3.23 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 0.00 571 V 7.34 4.49 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 0.65 0.00 0.00 0.69 0.00 0.00 572 V 8.28 4.11 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 0.83 0.00 0.00 0.96 0.00 0.00 573 L 7.87 4.88 0.00 1.56 1.44 0.85 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 574 Y 7.54 5.31 0.00 3.10 2.98 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 0.00 575 A 8.94 4.59 1.17 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 0.00 576 T 8.29 5.39 4.53 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 1.33 0.00 0.00 577 H 8.70 4.78 0.00 3.26 3.30 0.00 5.74 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 0.00 578 Q 8.43 3.97 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.77 0.00 0.00 0.00 0.00 0.00 1.89 2.24 0.00 579 E 8.04 4.35 0.00 1.98 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 0.00 2.23 2.26 0.00 580 N 7.91 4.48 0.00 2.63 2.61 0.00 0.00 7.18 5.82 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 0.00 581 K 8.23 4.72 0.00 1.85 1.86 0.00 2.04 0.00 0.00 1.98 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.39 7.81 582 R 8.60 4.23 0.00 1.87 2.02 0.00 3.31 0.00 0.00 3.41 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 583 L 8.07 5.27 0.00 1.72 1.66 0.90 0.90 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 0.00 584 F 9.59 5.45 0.00 3.09 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 0.00 585 G 8.42 4.43 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 0.00 586 F 8.27 5.39 0.00 3.29 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 0.00 587 V 9.10 4.81 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 0.96 0.00 0.00 0.89 0.00 0.00 588 L 9.24 5.05 0.00 2.21 1.89 1.21 0.97 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 0.00 589 R 8.94 4.91 0.00 1.89 1.86 0.00 3.33 0.00 0.00 3.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 590 T 8.51 4.54 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 0.00 591 S 8.60 4.33 0.00 3.85 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 *599 L 8.02 4.32 0.00 1.67 1.88 0.93 0.88 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 0.00 600 S 7.89 4.69 0.00 3.74 3.66 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 0.00 0.00 0.00 0.00 601 S 8.74 5.30 0.00 3.92 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 602 V 8.57 4.65 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 0.44 0.00 0.00 0.91 0.00 0.00 603 C 8.97 4.95 0.00 2.87 2.60 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 0.00 0.00 0.00 604 Y 8.53 4.79 0.00 1.81 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 605 I 8.42 4.86 1.66 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.85 0.83 0.00 0.00 606 F 9.94 5.52 0.00 3.25 3.14 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 0.00 0.00 0.00 0.00 607 E 9.51 5.43 0.00 2.06 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 0.00 2.27 2.28 0.00 608 S 9.35 5.01 0.00 3.84 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 0.00 609 N 7.77 4.64 0.00 2.86 2.88 0.00 0.00 6.93 7.88 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 0.00 610 N 7.92 4.25 0.00 2.87 2.90 0.00 0.00 7.13 7.65 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 0.00 611 E 8.05 4.66 0.00 2.08 1.83 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 2.30 2.46 0.00 612 G 8.33 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 0.00 613 E 8.08 4.00 0.00 2.11 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 2.39 2.47 0.00 614 K 7.93 3.93 0.00 1.90 1.98 0.00 1.81 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.56 7.81 615 I 7.41 2.60 1.12 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.19 -0.51 0.00 0.00 616 C 7.62 4.21 0.00 3.24 3.24 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 0.00 617 D 8.28 4.39 0.00 2.83 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 0.00 618 S 8.10 4.06 0.00 4.13 3.97 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 0.00 619 V 7.84 3.43 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 0.13 0.00 0.00 0.64 0.00 0.00 620 G 8.24 3.78 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 0.00 0.00 0.00 621 L 8.22 3.98 0.00 1.95 1.67 0.93 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 622 A 8.22 3.99 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 0.00 623 K 8.41 4.01 0.00 1.98 1.90 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.46 1.50 7.81 624 Q 8.01 4.03 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.69 0.00 625 I 7.91 3.72 2.01 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 1.44 0.84 0.91 0.00 0.00 626 A 8.06 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 627 L 8.18 3.93 0.00 1.91 1.88 0.98 0.80 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 0.00 628 H 8.44 4.05 0.00 3.39 3.51 0.00 5.84 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 0.00 629 A 7.77 4.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 630 E 7.97 4.01 0.00 2.06 2.20 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 2.32 2.35 0.00 631 L 7.87 4.18 0.00 1.62 1.68 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 632 D 7.19 4.59 0.00 2.51 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 0.00 633 R 8.51 4.10 0.00 1.83 1.83 0.00 3.45 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.