NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 455 K 4.2406 8.3149 121.7853 55.9513 33.3856 175.3360 456 L 4.1103 8.1651 124.4570 53.7696 42.4873 175.5233 457 L 4.2701 8.8450 122.6679 53.5635 43.6552 175.6864 458 P 4.4170 0.0000 0.0000 61.9395 33.3001 177.5022 459 A 3.9304 8.5820 122.5358 55.5775 18.2827 180.1674 460 F 4.1974 8.3460 112.4823 60.2099 37.7542 177.3568 461 Q 3.3654 6.5593 119.2774 58.7223 28.8517 177.4137 462 N 4.1315 8.0286 117.4088 56.4086 38.5924 177.1525 463 A 3.7378 8.5746 122.3085 55.0822 18.3420 179.6483 464 E 4.1311 8.0357 117.0621 59.5110 29.6368 179.6341 465 R 3.6748 7.8723 118.0508 59.2900 30.1177 179.0479 466 L 3.8327 7.8918 118.9781 57.5493 41.2843 179.4413 467 L 3.9188 7.1897 118.6407 58.1507 42.1787 178.5887 468 L 4.0008 7.8867 117.5727 57.8636 41.6301 179.0506 469 A 4.1613 8.1275 119.5713 54.7310 19.5333 178.8627 470 H 4.4168 8.1241 116.2015 55.4286 25.9394 176.2504 *473 R 4.3374 7.7818 119.4739 55.2596 32.5210 175.7728 474 S 4.5153 7.8780 114.1363 56.2386 65.3479 174.6387 475 R 4.2354 8.6911 126.7204 57.9622 29.6450 178.1685 476 D 4.2485 7.9415 118.3164 57.1851 41.3379 177.9348 477 V 3.5170 7.6804 118.4996 65.3826 31.6556 177.8060 478 A 4.1378 7.8377 120.3066 55.2392 17.7042 179.6445 479 L 4.0026 7.8459 117.1081 57.7585 41.7075 179.8921 480 V 3.6378 7.3966 118.0841 66.0342 31.4250 178.3651 481 V 3.7320 8.0532 117.9764 65.7431 31.0983 177.8378 482 Q 3.7484 7.7749 118.5521 59.0100 28.9257 177.7964 483 E 4.0838 7.5979 117.4254 59.5626 29.7194 179.2277 484 R 4.0933 7.8083 116.6213 57.3360 30.5696 177.1567 485 I 4.5048 7.5074 118.2217 58.7421 39.7166 174.8600 486 G 3.5968 8.3123 111.2963 49.3643 0.0000 173.4833 487 G 3.9952 8.5133 109.7872 45.1206 0.0000 174.7335 488 R 4.0494 8.7622 117.7174 56.4854 28.8737 177.1978 489 F 4.2987 8.0546 116.0057 57.4443 39.5910 175.1251 490 N 4.6336 10.1240 121.9022 55.4855 39.0569 176.5131 491 I 4.4349 7.8225 118.4438 59.5350 39.3201 175.8169 492 E 3.9827 8.8891 125.0521 60.1173 29.3554 179.4210 493 E 3.9549 8.2167 117.4398 60.0567 29.4057 179.2583 494 H 4.0914 7.8707 115.5081 58.8020 28.8402 177.9184 495 R 4.0186 8.1933 119.7765 58.9701 29.9751 178.9804 496 A 4.0526 8.4051 121.0106 55.2410 18.4069 179.5496 497 L 3.8938 8.1843 117.5843 57.8339 41.7053 179.3438 498 A 3.4330 7.9153 120.7070 55.1588 18.2055 179.2949 499 A 4.1174 7.9348 118.7484 55.9733 18.2357 179.6119 500 Y 3.9963 7.7176 112.9808 60.9207 37.9298 178.4611 501 I 3.9288 7.9553 121.4764 64.3673 37.3857 177.8354 502 Y 4.4898 8.2463 117.7408 61.3251 37.5305 178.7258 503 A 4.1488 8.0629 120.3965 54.9703 18.2253 178.8963 504 F 4.2891 8.1083 119.4069 61.7461 39.3035 176.5489 505 Y 4.1320 8.1996 118.0947 59.9590 38.6733 177.0050 506 E 4.5677 8.0201 115.6575 56.8399 29.4553 177.4962 507 E 4.4478 9.1291 119.1609 56.2354 32.8044 175.7033 508 G 3.4010 7.3616 112.0139 46.2030 0.0000 173.1501 509 H 3.5140 6.7460 116.8364 54.8472 28.9864 174.3433 510 E 4.7130 8.3212 122.8395 53.9510 32.0247 173.9206 511 A 4.0336 8.2715 123.3211 53.3458 17.3400 177.6380 512 D 4.5834 8.2911 119.0283 52.8016 42.8312 173.4363 513 P 4.4286 0.0000 0.0000 64.1612 31.2966 178.5737 514 G 3.5845 8.0824 105.7279 48.0872 0.0000 175.6229 515 A 4.2189 8.2988 123.2753 53.8848 18.4602 179.4374 516 L 3.6748 7.3493 118.1262 58.2226 41.9228 178.8913 517 I 3.7685 6.9418 113.3738 62.0899 36.7406 176.5379 518 S 4.6596 7.9349 114.1072 57.9895 64.3858 174.8712 519 R 4.4667 7.1403 117.7535 56.1455 31.6545 176.3936 520 I 3.1506 7.3996 119.5521 59.8084 38.3677 175.7347 521 P 4.4622 0.0000 0.0000 62.6932 30.1809 177.4339 522 G 4.3219 8.8981 115.3202 46.5471 0.0000 176.8435 523 E 3.7233 7.9108 116.3402 58.4348 30.1826 177.7906 524 L 4.1839 7.7176 118.6833 56.5264 42.3852 178.6116 525 Q 3.8450 7.4550 118.4766 58.6245 28.6077 177.6536 526 P 4.1804 0.0000 0.0000 66.0930 30.8621 178.0475 527 L 3.8220 8.0727 119.5167 57.8087 42.0820 178.6962 528 A 3.8619 7.8135 120.2675 55.0076 18.0804 179.1444 529 S 3.9046 8.1692 111.0461 61.5741 62.6863 175.6506 530 E 4.0253 7.9678 121.6285 59.5266 29.4512 178.9324 531 L 4.0174 8.0353 119.0785 57.4035 41.4145 178.8401 532 S 4.4385 7.7620 111.3217 59.2253 63.0831 174.4076 533 L 4.6093 7.3946 120.4844 54.1703 43.5198 176.6831 534 L 3.8518 7.2805 120.2127 54.9013 42.2909 176.9840 535 L 4.1575 8.2853 126.3571 54.9997 40.6772 175.5980 536 I 4.5007 7.7631 117.3181 58.4322 40.4089 175.2007 537 A 4.3228 8.5451 126.5484 51.3231 19.2836 178.1265 538 D 4.7064 8.4921 126.0581 52.3155 39.4587 176.4653 539 D 4.4674 7.1288 113.0625 53.5266 42.8779 174.3973 540 V 3.7230 8.0310 124.3327 62.0561 32.4511 176.4521 541 S 4.4321 8.5669 120.5227 57.3487 63.9485 174.8938 542 E 3.9548 8.6491 124.8073 59.9875 29.0812 179.3113 543 Q 3.9627 7.9620 120.2908 58.3357 29.1556 177.5270 544 E 3.4575 8.0203 119.2822 59.2645 29.5091 179.1748 545 L 4.0278 7.4285 118.5022 57.8930 41.7492 179.2567 546 E 3.9648 7.6968 117.2203 59.6230 29.4821 179.3208 547 D 4.3471 8.2711 118.8785 57.6197 41.0426 178.2772 548 Y 4.4161 8.1779 117.3063 61.4926 37.9828 178.7373 549 I 3.7528 8.4335 120.8879 64.6947 37.2110 178.5160 550 R 4.0524 8.2132 119.3237 59.7554 29.6716 178.3453 551 H 4.3408 8.2054 115.2470 58.5454 28.4663 177.6756 552 V 3.9309 7.8091 120.0157 65.9552 31.2455 178.1948 553 L 4.1547 8.4387 118.2535 56.6783 41.3052 178.2055 554 N 4.9587 7.8232 115.2380 52.6906 38.0139 176.9504 555 R 3.8730 7.6899 122.0782 59.9329 30.1721 176.5247 556 P 4.2857 0.0000 0.0000 65.6009 31.0095 178.7174 557 K 4.0736 7.3631 116.3903 59.0724 31.9702 179.1339 558 W 4.2067 7.8915 118.5414 59.1315 29.2430 178.5746 559 L 4.2950 7.6632 119.3794 54.4756 40.5429 179.1581 *561 L 4.3202 7.8538 119.9964 54.8859 43.8136 179.9184 562 K 4.0244 7.6293 116.1452 58.8116 31.8821 179.6314 563 V 3.5848 7.6914 118.7733 66.0086 31.5508 178.0087 564 K 4.0755 7.9825 117.6560 59.0656 31.9739 178.8074 565 E 3.9729 8.3894 120.1786 59.3420 29.4671 178.9705 566 Q 4.0180 7.9847 117.9475 58.8395 28.8882 178.1288 567 E 3.9437 8.0553 119.3634 59.3593 29.5129 179.4723 568 K 3.9382 8.4394 120.0024 59.8542 32.3975 179.0959 569 T 4.1160 7.9890 110.0093 64.5771 68.6851 176.2147 570 E 3.8928 8.4609 122.2721 58.9168 29.6430 178.2760 571 A 3.9187 7.8481 120.7725 55.4530 18.3044 179.2309 572 E 3.9336 8.3309 117.5022 59.5564 29.4177 179.3067 573 R 4.0326 7.8952 117.7358 58.3294 30.1315 177.9450 574 R 4.4300 7.6107 113.9306 55.6072 30.5101 176.4321 575 K 2.4800 7.0282 115.3438 57.7140 31.0979 176.8520 576 D 4.4543 7.4941 118.8589 53.3994 37.3827 176.7045 577 F 4.4551 7.1140 122.9445 60.8649 39.6040 177.5079 578 L 4.1156 8.0173 118.1041 57.8347 41.4179 179.4929 579 T 3.8285 7.9117 115.0959 66.7009 68.5567 176.1591 580 A 4.0033 8.1201 122.3224 55.2841 18.3043 179.5966 581 A 3.9765 8.5143 119.5938 55.2089 18.4843 179.7415 582 R 3.8535 8.1903 117.3307 59.6439 29.8977 178.8155 583 I 3.6861 7.7526 118.2642 64.4363 37.2227 177.9786 584 A 4.1351 7.8713 120.2479 54.9890 18.2135 179.2946 585 K 4.1142 8.1924 117.9659 59.4309 32.3986 179.6426 586 E 4.0818 8.1425 116.9222 56.8199 29.1725 178.9458 *588 I 4.0993 7.7543 121.9048 61.6965 39.0259 178.5483 589 E 4.1311 7.6772 115.2694 57.1199 28.8338 178.0138 *591 K 3.9838 8.1696 120.5689 56.4666 33.8599 179.8243 592 K 3.9984 7.9330 118.8168 55.9641 31.0510 178.2119 *594 L 4.2854 8.0417 120.3601 53.9609 43.6039 177.4029 595 S 4.5018 8.0356 116.6935 58.3047 63.0743 173.6816 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 455 K 8.31 4.24 0.00 1.72 1.76 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.46 7.81 456 L 8.17 4.11 0.00 1.72 1.55 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 457 L 8.85 4.27 0.00 1.64 1.46 0.87 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 458 P 0.00 4.42 0.00 2.10 2.04 0.00 3.54 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 459 A 8.58 3.93 1.28 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 0.00 0.00 0.00 460 F 8.35 4.20 0.00 3.47 3.37 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 0.00 461 Q 6.56 3.37 0.00 1.02 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 462 N 8.03 4.13 0.00 2.81 2.77 0.00 0.00 6.96 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 0.00 463 A 8.57 3.74 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.04 4.13 0.00 2.20 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 0.00 2.66 2.79 0.00 465 R 7.87 3.67 0.00 1.84 1.84 0.00 3.06 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 466 L 7.89 3.83 0.00 1.13 1.23 0.81 0.35 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 0.00 467 L 7.19 3.92 0.00 1.88 1.93 1.12 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 468 L 7.89 4.00 0.00 1.73 1.55 0.32 0.40 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 0.00 469 A 8.13 4.16 1.28 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 0.00 0.00 0.00 470 H 8.12 4.42 0.00 3.43 3.28 0.00 5.65 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 *473 R 7.78 4.34 0.00 1.82 2.24 0.00 3.16 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 474 S 7.88 4.52 0.00 3.79 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 0.00 475 R 8.69 4.24 0.00 1.80 1.73 0.00 3.49 0.00 0.00 3.57 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.95 0.00 476 D 7.94 4.25 0.00 2.78 2.66 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 0.00 477 V 7.68 3.52 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 1.02 0.00 0.00 0.95 0.00 0.00 478 A 7.84 4.14 1.46 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 0.00 479 L 7.85 4.00 0.00 1.67 1.68 0.65 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 480 V 7.40 3.64 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 1.01 0.00 0.00 1.00 0.00 0.00 481 V 8.05 3.73 2.29 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 1.27 0.00 0.00 1.05 0.00 0.00 482 Q 7.77 3.75 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.75 0.00 0.00 0.00 0.00 0.00 1.98 1.16 0.00 483 E 7.60 4.08 0.00 1.99 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 2.33 2.36 0.00 484 R 7.81 4.09 0.00 1.91 1.99 0.00 3.26 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 485 I 7.51 4.50 1.91 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.55 0.43 0.00 0.00 486 G 8.31 3.60 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 0.00 0.00 0.00 487 G 8.51 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 0.00 488 R 8.76 4.05 0.00 2.10 2.06 0.00 3.26 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 489 F 8.05 4.30 0.00 3.14 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 0.00 490 N 10.12 4.63 0.00 3.11 2.97 0.00 0.00 6.91 7.56 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 0.00 491 I 7.82 4.43 1.76 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 1.69 1.12 0.81 0.00 0.00 492 E 8.89 3.98 0.00 2.01 2.05 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 2.45 2.47 0.00 493 E 8.22 3.95 0.00 1.88 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 2.37 2.38 0.00 494 H 7.87 4.09 0.00 3.32 2.86 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 495 R 8.19 4.02 0.00 2.06 2.10 0.00 3.21 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.03 0.00 496 A 8.41 4.05 1.41 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 0.00 497 L 8.18 3.89 0.00 1.65 1.54 0.79 0.72 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 0.00 498 A 7.92 3.43 1.21 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 0.00 0.00 499 A 7.93 4.12 1.41 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 0.00 500 Y 7.72 4.00 0.00 3.09 3.02 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 0.00 0.00 0.00 501 I 7.96 3.93 1.70 0.00 0.00 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 1.37 0.76 0.87 0.00 0.00 502 Y 8.25 4.49 0.00 3.15 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 0.00 503 A 8.06 4.15 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 0.00 504 F 8.11 4.29 0.00 3.34 3.32 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 0.00 505 Y 8.20 4.13 0.00 3.25 3.06 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 0.00 506 E 8.02 4.57 0.00 2.21 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 2.43 2.50 0.00 507 E 9.13 4.45 0.00 1.89 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 2.22 2.35 0.00 508 G 7.36 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 6.75 3.51 0.00 2.04 2.06 0.00 5.87 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 0.00 510 E 8.32 4.71 0.00 2.01 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 2.51 2.47 0.00 511 A 8.27 4.03 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 0.00 512 D 8.29 4.58 0.00 2.89 2.86 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 0.00 0.00 0.00 513 P 0.00 4.43 0.00 2.24 2.22 0.00 3.76 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 2.05 2.00 0.00 514 G 8.08 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.30 4.22 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.35 3.67 0.00 1.26 1.34 0.55 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 517 I 6.94 3.77 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.68 0.83 0.00 0.00 518 S 7.93 4.66 0.00 3.96 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 0.00 519 R 7.14 4.47 0.00 1.94 2.11 0.00 3.46 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 520 I 7.40 3.15 1.57 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.77 0.76 0.00 0.00 521 P 0.00 4.46 0.00 2.17 2.13 0.00 3.05 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.88 0.00 522 G 8.90 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 0.00 0.00 0.00 0.00 523 E 7.91 3.72 0.00 2.05 2.06 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 2.37 2.28 0.00 524 L 7.72 4.18 0.00 1.52 1.60 0.74 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 525 Q 7.45 3.84 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 526 P 0.00 4.18 0.00 2.21 2.29 0.00 3.70 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 2.14 2.00 0.00 527 L 8.07 3.82 0.00 1.72 1.75 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 528 A 7.81 3.86 1.20 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 0.00 0.00 529 S 8.17 3.90 0.00 3.77 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 0.00 530 E 7.97 4.03 0.00 2.14 2.05 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 2.25 2.32 0.00 531 L 8.04 4.02 0.00 1.63 1.59 0.78 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 532 S 7.76 4.44 0.00 3.98 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 0.00 533 L 7.39 4.61 0.00 1.65 1.66 0.89 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 534 L 7.28 3.85 0.00 1.63 1.50 0.86 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 535 L 8.29 4.16 0.00 1.60 1.59 0.91 0.95 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 0.00 536 I 7.76 4.50 1.67 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 1.45 0.78 0.77 0.00 0.00 537 A 8.55 4.32 1.30 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 0.00 0.00 0.00 538 D 8.49 4.71 0.00 2.65 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 0.00 539 D 7.13 4.47 0.00 2.63 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 0.00 540 V 8.03 3.72 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 0.81 0.00 0.00 0.69 0.00 0.00 541 S 8.57 4.43 0.00 3.95 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 0.00 542 E 8.65 3.95 0.00 2.18 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 0.00 2.34 2.31 0.00 543 Q 7.96 3.96 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.90 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 544 E 8.02 3.46 0.00 2.05 1.45 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 2.20 2.30 0.00 545 L 7.43 4.03 0.00 1.70 1.74 0.96 0.92 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 0.00 546 E 7.70 3.96 0.00 2.16 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 2.51 2.49 0.00 547 D 8.27 4.35 0.00 2.55 2.66 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 0.00 548 Y 8.18 4.42 0.00 2.97 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 0.00 549 I 8.43 3.75 1.98 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.71 0.92 0.00 0.00 550 R 8.21 4.05 0.00 2.07 2.16 0.00 3.11 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 551 H 8.21 4.34 0.00 3.53 3.53 0.00 5.70 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 552 V 7.81 3.93 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 0.95 0.00 0.00 1.08 0.00 0.00 553 L 8.44 4.15 0.00 1.66 1.72 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 554 N 7.82 4.96 0.00 2.93 2.99 0.00 0.00 6.57 8.70 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 0.00 555 R 7.69 3.87 0.00 2.06 2.11 0.00 2.69 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.47 0.00 556 P 0.00 4.29 0.00 2.19 2.09 0.00 3.70 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 557 K 7.36 4.07 0.00 1.78 1.69 0.00 1.63 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.41 1.44 7.81 558 W 7.89 4.21 0.00 3.39 3.23 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 0.00 559 L 7.66 4.29 0.00 1.94 1.68 0.88 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 *561 L 7.85 4.32 0.00 2.06 1.80 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 562 K 7.63 4.02 0.00 1.87 1.89 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.51 7.81 563 V 7.69 3.58 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 1.07 0.00 0.00 0.93 0.00 0.00 564 K 7.98 4.08 0.00 1.98 1.84 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.48 7.81 565 E 8.39 3.97 0.00 2.10 2.06 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 2.34 2.42 0.00 566 Q 7.98 4.02 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.53 0.00 0.00 0.00 0.00 0.00 2.63 2.55 0.00 567 E 8.06 3.94 0.00 2.26 2.01 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 2.33 2.55 0.00 568 K 8.44 3.94 0.00 1.81 2.06 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.48 7.81 569 T 7.99 4.12 4.26 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 1.24 0.00 0.00 570 E 8.46 3.89 0.00 2.26 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 2.30 2.35 0.00 571 A 7.85 3.92 1.41 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 0.00 572 E 8.33 3.93 0.00 2.37 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 0.00 2.52 2.58 0.00 573 R 7.90 4.03 0.00 2.02 1.97 0.00 3.38 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 574 R 7.61 4.43 0.00 1.91 1.95 0.00 3.17 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.62 0.00 575 K 7.03 2.48 0.00 1.59 1.39 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.27 7.81 576 D 7.49 4.45 0.00 2.57 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 0.00 577 F 7.11 4.46 0.00 3.15 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 0.00 578 L 8.02 4.12 0.00 1.72 1.75 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 579 T 7.91 3.83 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 1.20 0.00 0.00 580 A 8.12 4.00 1.51 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 0.00 0.00 581 A 8.51 3.98 1.41 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 0.00 582 R 8.19 3.85 0.00 2.06 2.10 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 583 I 7.75 3.69 2.04 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 1.46 0.84 0.95 0.00 0.00 584 A 7.87 4.14 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 0.00 585 K 8.19 4.11 0.00 1.88 1.99 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.48 7.81 586 E 8.14 4.08 0.00 2.26 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 2.32 2.53 0.00 *588 I 7.75 4.10 2.02 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 0.88 0.92 0.00 0.00 589 E 7.68 4.13 0.00 1.98 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 2.51 2.41 0.00 *591 K 8.17 3.98 0.00 1.99 1.96 0.00 1.74 0.00 0.00 2.00 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.41 7.81 592 K 7.93 4.00 0.00 1.87 1.82 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.61 7.81 *594 L 8.04 4.29 0.00 1.22 1.62 -0.67 0.63 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 0.00 595 S 8.04 4.50 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 * Residues marked with a * may have inaccurate shift predictions.