NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 501 H 4.6615 8.2985 117.8381 55.7445 30.4044 174.8416 502 A 4.6623 6.6981 123.8269 51.7378 19.2517 176.8091 503 G 3.8464 8.6265 103.8079 44.6767 0.0000 170.9306 504 I 4.9018 8.4001 121.6955 59.2953 39.8561 174.6275 505 F 5.0370 9.0249 126.4419 56.1273 41.3349 174.9280 506 T 4.9403 8.5992 116.3244 60.5777 71.0389 173.1013 507 F 5.0407 8.7779 126.8087 57.4501 39.3349 175.3193 508 E 4.1490 9.0890 121.6488 59.2545 29.7091 176.5955 509 E 4.4953 7.5808 113.0826 54.6041 31.9904 173.0174 510 P 4.7468 0.0000 0.0000 63.4226 32.9172 175.5639 511 V 4.8221 7.4907 119.6692 61.5110 34.5546 174.0899 512 T 4.6972 8.8265 121.3060 60.6588 71.2064 171.7844 513 H 5.3083 8.7855 123.2957 54.2496 31.1711 174.1641 514 V 4.5863 8.5790 114.7297 59.4140 36.5315 174.8594 515 S 4.5471 8.5228 117.1301 57.8958 63.0830 174.7517 516 E 3.9824 9.0405 127.3646 58.6524 29.1877 177.7503 517 S 4.7978 7.9952 112.3713 57.9966 63.2881 175.8254 518 I 3.5927 7.6506 123.5921 62.5713 37.3803 175.7370 519 G 4.0385 7.4724 111.3616 44.0791 0.0000 171.9767 520 I 4.9105 7.2450 119.3320 58.7419 40.4496 174.1578 521 M 4.4582 9.2580 127.9571 54.2106 34.0650 174.4454 522 E 5.0673 8.7867 125.3574 54.8174 31.7788 175.2343 523 V 4.2563 8.8504 126.1508 61.2448 33.3592 174.8921 524 K 5.0000 8.6880 127.0539 55.3063 34.0359 175.9846 525 V 4.6973 8.9058 123.5500 61.2673 34.3144 174.2217 526 L 5.2653 9.2036 128.0456 53.1052 44.5170 175.2191 527 R 4.3278 8.7643 123.4763 54.5174 31.6787 175.1282 528 T 4.4704 8.1603 116.0738 59.8958 72.6491 173.8515 529 S 3.7920 9.1555 115.1398 57.5102 60.3136 170.7267 530 G 3.6847 7.0459 105.3785 44.1900 0.0000 174.3116 531 A 4.5290 8.1691 127.2518 51.5386 20.2963 175.0002 532 R 4.4298 8.2598 120.9974 58.4400 30.5560 177.0783 533 G 4.3297 9.5233 111.5712 44.9854 0.0000 171.6351 534 N 5.1700 8.4275 115.4812 51.9838 40.4239 174.8331 535 V 4.7986 9.0052 123.4977 61.1858 35.2218 173.9984 536 I 4.8027 8.7851 128.9484 60.0598 39.2849 174.8909 537 V 4.4075 8.9051 126.6717 60.2882 33.9574 173.1016 538 P 5.0293 0.0000 0.0000 62.9259 32.6771 175.1546 539 Y 5.6155 8.6423 120.1505 55.9048 41.9495 173.8241 540 K 5.2022 9.1749 118.7000 56.1970 36.3495 174.9053 541 T 5.1335 8.3156 112.3297 61.1949 70.7318 174.1864 542 I 4.9091 8.9181 123.2611 59.5001 41.3660 174.8740 543 E 4.7328 9.4736 126.3110 55.7600 30.2780 176.8390 544 G 4.4970 8.4911 107.2585 47.1594 0.0000 176.9283 545 T 4.2484 9.1050 117.1310 63.0359 69.4806 174.5761 546 A 4.5726 8.4083 125.9488 51.7020 19.9381 176.6600 547 R 4.4898 9.5555 122.0076 55.1767 32.1210 176.9148 548 G 2.4637 9.1378 114.3262 45.2771 0.0000 175.2281 549 G 3.7495 9.5879 115.4373 46.3949 0.0000 174.4300 550 G 3.7489 7.8700 106.0886 44.8630 0.0000 175.0297 551 E 3.9957 7.0457 120.5120 57.1228 30.2853 176.9159 552 D 4.8756 8.7058 119.0732 55.4503 43.3122 175.7745 553 F 5.1618 7.1826 111.4963 55.4593 41.4908 172.7018 554 E 4.5581 8.7807 121.5892 54.8452 30.3403 175.6774 555 D 4.6448 8.6622 126.5956 55.6867 41.7113 176.4162 556 T 4.7921 9.4146 119.5049 62.2132 71.9449 172.6248 557 C 4.6189 9.2131 120.2173 55.6299 32.9527 175.4166 558 G 3.7435 6.4256 106.9649 45.7113 0.0000 171.2922 559 E 5.1889 8.0038 121.1643 54.6964 33.1756 175.2276 560 L 4.6716 9.2737 122.1355 53.4347 43.9956 175.0818 561 E 5.0643 8.6631 124.5952 54.5775 31.1046 174.9206 562 F 4.6941 9.5352 127.7484 56.9996 40.4963 176.1406 563 Q 4.7883 9.9178 123.3464 54.8400 30.4257 175.1344 564 N 4.5425 8.2197 118.9938 55.9475 39.0820 174.8111 565 D 4.5883 9.4042 123.9662 54.5007 39.4191 173.2985 566 E 4.4572 8.3136 121.3923 55.3450 30.3303 175.6624 567 I 4.7059 8.4582 117.5306 60.6322 39.7975 174.9552 568 V 5.2238 7.8267 121.9200 61.6831 34.6096 173.7874 569 K 4.7097 9.3067 125.2933 55.0556 37.0445 175.0293 570 T 5.0337 8.2842 117.0028 61.9407 71.9027 173.5679 571 I 4.2352 8.8766 126.8250 59.6832 39.4848 174.6294 572 S 5.1703 8.6481 123.4278 56.9645 64.5075 173.6335 573 V 4.4887 8.8380 125.4409 60.8317 34.2138 174.5421 574 K 4.7156 8.7585 127.5122 56.2044 33.2885 175.7259 575 V 4.5628 8.5634 125.7254 61.1676 33.3528 174.7341 576 I 4.3757 8.3981 129.5359 59.6691 38.0720 175.5083 577 D 4.6940 8.7075 127.0283 53.9079 42.0679 174.5456 578 D 4.7418 7.8388 121.3538 52.6888 42.2051 175.3636 579 E 4.6650 8.7816 118.4067 56.4205 29.9497 175.5211 580 E 4.5700 8.2907 118.2700 54.8695 31.5192 175.3914 581 Y 4.7046 8.3794 119.6357 56.8397 38.3648 174.8528 582 E 4.7989 8.8027 123.6105 54.0864 33.8996 175.4697 583 K 4.2814 8.3190 119.1427 56.0623 32.7405 176.9465 584 N 4.6712 8.4684 117.7880 53.7700 39.2240 174.7339 585 K 4.9080 8.8094 120.8532 54.7652 36.5605 175.1184 586 T 5.0885 8.8030 111.8754 60.1383 72.2380 172.8795 587 F 5.1697 8.2187 117.3261 55.7858 42.1498 172.6721 588 F 5.1524 9.3460 116.0171 55.6962 43.2035 174.4354 589 L 5.4778 8.7953 120.5294 53.2178 45.4906 175.5042 590 E 5.6331 9.4724 120.6961 54.7857 33.8410 174.6180 591 I 4.9048 8.5178 117.0102 59.5799 39.8151 175.4427 592 G 4.0886 8.4401 112.3854 44.1380 0.0000 172.3646 593 E 4.0179 8.6545 120.8521 55.5662 29.6282 174.8199 594 P 4.6108 0.0000 0.0000 63.0893 32.4219 175.9753 595 R 4.7033 8.6922 119.7374 54.2915 34.4985 174.7856 596 L 4.5176 8.6692 123.0101 54.6445 42.5057 176.9157 597 V 4.2008 8.4344 122.0054 63.0604 31.8072 176.5456 *632 G 4.0354 8.2306 108.0357 45.6008 0.0000 174.0169 633 R 4.4677 8.0590 118.8551 55.4721 30.6547 175.2412 634 P 4.8640 0.0000 0.0000 63.2022 32.4033 175.0637 635 I 4.8093 8.6296 113.7246 59.2896 41.7030 173.9386 636 L 4.5464 8.5727 122.5086 54.6729 42.0631 178.0609 637 G 4.0608 8.7725 112.4965 46.1959 0.0000 174.5806 638 E 4.0425 8.9979 120.1414 59.0455 29.8982 176.3921 639 H 5.1097 8.3813 118.4178 54.5705 30.5785 174.6799 640 T 4.5169 8.8424 112.9606 61.0162 71.2772 173.7017 641 K 5.3635 8.2705 121.9250 54.5706 36.1893 174.6069 642 L 4.7051 9.1422 126.4792 53.1450 44.9357 174.4834 643 E 4.2442 9.1399 128.2185 54.9261 31.4640 174.6022 644 V 4.2011 7.8970 127.2754 61.0872 33.6740 174.2116 645 I 4.4890 8.2959 129.7137 59.8398 38.9548 175.0188 646 I 4.5313 8.8119 129.9947 60.2150 38.3151 175.1432 647 E 4.6430 9.2399 128.8834 55.2812 30.5831 176.0797 648 E 4.1532 8.8827 126.1927 57.2083 29.4606 177.1229 649 S 4.3859 9.0422 120.4329 57.8015 64.2732 173.8447 650 Y 3.8323 7.9215 124.0661 58.5609 38.2995 169.9781 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 501 H 8.30 4.66 0.00 3.28 3.37 0.00 5.77 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 502 A 6.70 4.66 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 0.00 503 G 8.63 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 0.00 0.00 0.00 504 I 8.40 4.90 1.72 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.72 0.87 0.00 0.00 505 F 9.02 5.04 0.00 2.83 2.81 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 0.00 506 T 8.60 4.94 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 1.20 0.00 0.00 507 F 8.78 5.04 0.00 3.13 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 0.00 508 E 9.09 4.15 0.00 1.97 2.02 0.00 0.00 0.00 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 2.37 0.00 509 E 7.58 4.50 0.00 1.98 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 2.12 2.18 0.00 510 P 0.00 4.75 0.00 2.15 2.37 0.00 3.68 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.78 0.00 511 V 7.49 4.82 2.03 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 0.69 0.00 0.00 0.90 0.00 0.00 512 T 8.83 4.70 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 0.97 0.00 0.00 513 H 8.79 5.31 0.00 2.99 3.25 0.00 5.70 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 0.00 514 V 8.58 4.59 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 0.61 0.00 0.00 0.93 0.00 0.00 515 S 8.52 4.55 0.00 3.91 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 0.00 516 E 9.04 3.98 0.00 2.07 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 2.43 2.26 0.00 517 S 8.00 4.80 0.00 4.06 4.14 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 0.00 518 I 7.65 3.59 1.98 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 1.38 0.82 0.95 0.00 0.00 519 G 7.47 4.04 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 0.00 0.00 0.00 520 I 7.24 4.91 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.00 0.93 0.00 0.00 521 M 9.26 4.46 0.00 2.11 1.96 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 522 E 8.79 5.07 0.00 1.86 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 2.20 2.27 0.00 523 V 8.85 4.26 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 0.79 0.00 0.00 0.83 0.00 0.00 524 K 8.69 5.00 0.00 1.75 1.78 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.40 7.81 525 V 8.91 4.70 2.36 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 1.17 0.00 0.00 0.99 0.00 0.00 526 L 9.20 5.27 0.00 1.64 1.52 1.01 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 527 R 8.76 4.33 0.00 1.08 1.67 0.00 3.03 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.50 0.00 528 T 8.16 4.47 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 1.12 0.00 0.00 529 S 9.16 3.79 0.00 3.94 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 0.00 530 G 7.05 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 0.00 0.00 0.00 531 A 8.17 4.53 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 0.00 532 R 8.26 4.43 0.00 1.88 1.93 0.00 3.09 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 533 G 9.52 4.33 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 0.00 534 N 8.43 5.17 0.00 2.77 2.79 0.00 0.00 6.19 7.68 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 0.00 535 V 9.01 4.80 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 1.04 0.00 0.00 536 I 8.79 4.80 1.84 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.74 0.94 0.00 0.00 537 V 8.91 4.41 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 0.93 0.00 0.00 0.22 0.00 0.00 538 P 0.00 5.03 0.00 2.10 1.90 0.00 3.66 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 539 Y 8.64 5.62 0.00 3.09 3.09 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 0.00 540 K 9.17 5.20 0.00 1.89 1.91 0.00 1.35 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.50 7.81 541 T 8.32 5.13 4.50 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 1.50 0.00 0.00 542 I 8.92 4.91 2.10 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.77 1.02 0.00 0.00 543 E 9.47 4.73 0.00 2.02 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 2.58 2.51 0.00 544 G 8.49 4.50 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 0.00 545 T 9.11 4.25 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 0.00 546 A 8.41 4.57 1.49 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 0.00 0.00 547 R 9.56 4.49 0.00 1.61 1.77 0.00 3.33 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 548 G 9.14 2.46 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 0.00 549 G 9.59 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 0.00 0.00 0.00 550 G 7.87 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 0.00 0.00 0.00 551 E 7.05 4.00 0.00 1.83 1.96 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 2.26 2.27 0.00 552 D 8.71 4.88 0.00 2.88 2.75 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 0.00 553 F 7.18 5.16 0.00 2.75 2.61 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 0.00 0.00 0.00 0.00 554 E 8.78 4.56 0.00 1.97 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 2.30 2.25 0.00 555 D 8.66 4.64 0.00 2.60 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 0.00 556 T 9.41 4.79 4.47 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 1.51 0.00 0.00 557 C 9.21 4.62 0.00 2.89 2.85 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 0.00 558 G 6.43 3.74 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 0.00 0.00 0.00 559 E 8.00 5.19 0.00 1.93 1.82 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 2.15 2.35 0.00 560 L 9.27 4.67 0.00 1.76 1.50 0.93 0.53 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 0.00 561 E 8.66 5.06 0.00 1.98 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 2.24 2.36 0.00 562 F 9.54 4.69 0.00 3.04 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 0.00 563 Q 9.92 4.79 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.89 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 564 N 8.22 4.54 0.00 2.68 2.80 0.00 0.00 7.25 8.27 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 0.00 565 D 9.40 4.59 0.00 2.87 2.85 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 0.00 566 E 8.31 4.46 0.00 2.04 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 2.35 2.27 0.00 567 I 8.46 4.71 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 1.27 1.24 0.92 0.00 0.00 568 V 7.83 5.22 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 0.86 0.00 0.00 0.99 0.00 0.00 569 K 9.31 4.71 0.00 1.36 1.32 0.00 1.31 0.00 0.00 1.46 0.00 0.00 2.44 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.34 0.21 7.81 570 T 8.28 5.03 4.20 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 1.19 0.00 0.00 571 I 8.88 4.24 1.75 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.30 0.72 0.00 0.00 572 S 8.65 5.17 0.00 3.75 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 0.00 573 V 8.84 4.49 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 1.06 0.00 0.00 1.05 0.00 0.00 574 K 8.76 4.72 0.00 1.78 1.74 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.55 1.59 7.81 575 V 8.56 4.56 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 0.83 0.00 0.00 1.04 0.00 0.00 576 I 8.40 4.38 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 1.08 1.13 0.92 0.00 0.00 577 D 8.71 4.69 0.00 2.64 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 0.00 578 D 7.84 4.74 0.00 2.82 2.61 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 0.00 0.00 0.00 0.00 579 E 8.78 4.67 0.00 1.94 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 2.22 2.29 0.00 580 E 8.29 4.57 0.00 1.98 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 2.25 2.39 0.00 581 Y 8.38 4.70 0.00 2.96 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 0.00 582 E 8.80 4.80 0.00 1.89 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 2.26 2.29 0.00 583 K 8.32 4.28 0.00 1.76 1.76 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.49 7.81 584 N 8.47 4.67 0.00 2.59 2.79 0.00 0.00 6.71 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 0.00 585 K 8.81 4.91 0.00 1.72 1.79 0.00 1.63 0.00 0.00 1.89 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.56 7.81 586 T 8.80 5.09 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 1.11 0.00 0.00 587 F 8.22 5.17 0.00 2.90 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 0.00 588 F 9.35 5.15 0.00 2.96 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 0.00 589 L 8.80 5.48 0.00 1.32 1.71 0.77 1.27 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 0.00 590 E 9.47 5.63 0.00 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 0.00 2.35 2.36 0.00 591 I 8.52 4.90 1.75 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.41 0.63 0.00 0.00 592 G 8.44 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 0.00 0.00 0.00 593 E 8.65 4.02 0.00 1.92 1.88 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 2.26 2.28 0.00 594 P 0.00 4.61 0.00 1.87 1.44 0.00 3.72 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 2.10 1.96 0.00 595 R 8.69 4.70 0.00 1.68 1.77 0.00 3.37 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 596 L 8.67 4.52 0.00 1.54 1.61 0.94 0.94 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 0.00 597 V 8.43 4.20 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 0.77 0.00 0.00 0.94 0.00 0.00 *632 G 8.23 4.04 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 0.00 0.00 0.00 633 R 8.06 4.47 0.00 1.71 1.89 0.00 3.38 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 634 P 0.00 4.86 0.00 2.19 2.26 0.00 3.73 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 2.13 1.98 0.00 635 I 8.63 4.81 1.88 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 1.23 0.87 0.97 0.00 0.00 636 L 8.57 4.55 0.00 1.56 1.63 0.91 0.86 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 0.00 637 G 8.77 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 0.00 638 E 9.00 4.04 0.00 1.60 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 2.24 2.24 0.00 639 H 8.38 5.11 0.00 3.36 3.37 0.00 5.56 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 0.00 640 T 8.84 4.52 4.25 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 1.20 0.00 0.00 641 K 8.27 5.36 0.00 1.78 1.80 0.00 1.62 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.47 7.81 642 L 9.14 4.71 0.00 0.77 0.70 0.69 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 643 E 9.14 4.24 0.00 2.12 1.67 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 1.89 1.47 0.00 644 V 7.90 4.20 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 0.00 0.00 0.51 0.00 0.00 0.09 0.00 0.00 645 I 8.30 4.49 1.46 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.24 0.82 0.00 0.00 646 I 8.81 4.53 1.91 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.86 0.94 0.00 0.00 647 E 9.24 4.64 0.00 1.87 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 2.34 2.27 0.00 648 E 8.88 4.15 0.00 1.78 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 649 S 9.04 4.39 0.00 4.02 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 0.00 650 Y 7.92 3.83 0.00 2.93 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 * Residues marked with a * may have inaccurate shift predictions.