NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 391 G 3.8409 8.3549 109.7165 45.8744 0.0000 173.1651 392 Y 4.4682 8.3433 113.9922 56.5993 38.9915 175.1778 393 G 3.8556 7.7924 111.0334 46.7340 0.0000 176.9130 394 S 4.2836 8.7332 118.3297 59.6781 63.1203 175.2519 395 W 4.3660 8.1583 121.1892 58.6195 29.1769 175.5388 396 E 4.7870 8.3228 119.0436 56.5173 29.0943 176.5197 397 I 4.6159 8.8455 126.7778 59.8857 39.2340 175.3426 398 D 4.7139 8.8398 126.2848 53.1211 41.6983 175.2118 399 P 4.3947 0.0000 0.0000 65.5991 31.4280 177.9576 400 K 4.2571 8.2332 116.6928 57.7269 32.3323 177.2739 401 D 4.2116 8.1061 119.0243 54.7523 41.0992 175.8311 402 L 4.6038 7.2059 119.8733 53.6062 42.9912 176.3855 403 T 4.4425 8.0668 119.3833 61.3953 70.8249 173.2066 404 F 4.2973 8.8722 125.7531 57.7468 39.0961 174.4988 405 L 4.6783 8.8672 122.4263 55.8380 43.8759 177.0811 406 K 4.7994 7.8280 115.9982 54.7576 36.8297 174.9047 407 E 4.8249 8.8563 123.6688 55.6441 30.4135 175.6699 408 L 4.7976 9.9268 123.8047 53.2472 44.5362 176.6861 409 G 4.0571 7.4808 107.7054 45.9993 0.0000 171.1346 410 T 5.1708 7.2700 112.5578 61.6156 70.9635 172.0916 *414 G 4.2616 8.0834 115.2335 46.2780 0.0000 174.5921 415 V 4.4614 9.0292 127.4139 61.0424 33.2157 173.1620 416 V 4.9491 8.7284 127.6192 61.2061 33.9576 174.4326 417 K 5.1873 9.3143 126.4896 54.8909 36.7450 174.4266 418 Y 5.0244 9.3872 123.9903 56.9307 41.0548 175.1101 419 G 3.7802 7.4464 110.2805 45.3995 0.0000 171.4280 420 K 5.1634 8.1926 118.1086 54.2120 35.9834 175.5611 421 W 4.8018 9.4581 133.7206 57.0611 32.0040 176.5722 422 R 3.1757 8.8775 126.7382 57.4345 27.6347 176.7658 423 G 3.8719 8.0598 101.4360 46.2680 0.0000 173.4714 424 Q 4.1510 8.1007 118.4750 56.9293 30.8546 174.9629 425 Y 5.0174 7.3432 114.8321 55.9895 40.5578 174.8327 426 D 5.0698 9.0188 124.1078 54.7550 41.9561 176.0528 427 V 4.8551 8.6816 114.7384 59.7966 36.7737 174.0093 428 A 5.2585 8.7841 123.9914 50.6175 21.6726 176.0748 429 I 4.8865 8.9134 121.8383 59.3999 40.7431 174.3980 430 K 5.0232 9.6270 129.5188 55.3476 33.8083 174.9848 431 M 5.2302 9.9876 128.1024 53.9754 34.6913 176.3177 432 I 3.2226 7.3197 122.5810 60.1955 40.0354 174.4772 *438 S 4.1944 8.3826 115.9149 57.8486 63.2205 174.2076 439 E 3.9610 8.5518 124.7512 59.2432 29.7295 178.6040 440 D 4.5170 8.1412 117.3090 56.6455 41.8868 176.5527 441 E 4.2978 8.1179 116.1400 57.8160 30.5911 178.1687 442 F 4.2080 8.1451 122.1315 61.3089 39.4306 176.6404 443 I 3.4759 7.6490 115.9437 62.9026 37.7033 177.4004 444 E 3.8733 7.6572 118.6786 59.6050 29.4112 178.3701 445 E 4.0121 7.6873 119.9667 58.6558 29.5405 178.9818 446 A 3.6746 7.5070 119.8057 54.8177 18.2101 179.4848 447 K 3.6938 7.4454 116.1020 59.6115 32.4134 179.3121 448 V 3.6645 7.7905 118.4803 66.3089 31.6093 177.8533 449 M 4.1498 7.5724 117.3220 57.8092 31.5495 178.3910 450 M 3.3184 7.4803 118.1699 56.8766 32.0867 176.5861 451 N 4.8659 7.6127 113.7481 52.7108 39.7671 174.4811 452 L 4.8805 7.5180 117.6369 52.7870 44.3517 176.0341 453 S 4.5014 9.0607 118.0312 56.8867 65.3297 172.4432 454 H 4.3907 8.1180 125.4919 54.4415 32.3316 173.9071 455 E 3.9923 8.1954 122.7621 58.4008 29.6620 177.7092 456 K 4.4928 8.0900 118.4526 55.6944 32.6636 174.3143 457 L 4.9866 7.5645 121.0809 52.6781 44.3451 176.3278 458 V 3.7460 8.6352 126.7261 63.6836 32.1725 174.8216 459 Q 4.4779 9.2669 130.3410 54.5681 30.3704 174.5427 460 L 4.1483 8.6615 129.1744 56.0957 42.1060 175.8199 461 Y 4.7341 9.0875 124.3416 59.1529 39.5862 175.7088 462 G 4.3517 7.2820 102.9572 46.7506 0.0000 172.0409 463 V 5.1726 8.4996 111.9024 59.8339 36.6875 175.1827 464 C 5.3549 9.1930 121.3545 58.7304 29.8597 174.5151 465 T 4.6020 8.7586 113.3396 61.3197 69.7682 175.0047 466 K 4.4671 8.1063 120.7515 56.3007 32.2983 175.8702 467 Q 4.4795 7.5795 118.9763 54.2900 32.0929 173.9797 468 R 4.3781 8.3425 123.2841 53.8156 31.5527 174.7510 469 P 4.3848 0.0000 0.0000 62.0415 32.6176 175.3981 470 I 4.1340 7.6623 119.5820 60.8125 38.7494 174.9400 471 F 5.6042 8.5527 124.3999 56.1385 41.7873 174.6390 472 I 4.9084 9.3182 123.3049 59.6187 39.9167 174.5307 473 I 5.0683 8.6596 127.5671 59.7968 40.1236 174.9076 474 T 4.8948 8.6856 116.0725 59.1419 72.9004 172.7285 475 E 3.6863 7.6139 119.8624 56.9708 29.9129 175.9629 476 Y 4.5339 8.5170 122.8111 57.1156 40.4026 175.1022 477 M 4.2476 7.7637 125.8341 52.8963 32.4723 175.8996 478 A 3.4162 8.1298 126.5776 54.8952 18.7850 178.2674 479 N 4.6969 7.9399 110.7041 52.5637 39.5361 177.4012 480 G 3.5597 7.7855 108.1889 46.9051 0.0000 173.5317 481 C 4.6133 8.3629 122.5007 58.7066 33.3954 174.0306 482 L 3.9182 8.5691 129.4241 58.0635 41.8195 179.0552 483 L 3.9938 7.9409 119.7650 58.4735 42.0561 178.6607 484 N 4.4215 8.1796 115.8133 56.2940 38.5530 176.4697 485 Y 4.1871 8.3846 121.2426 61.0266 38.6845 178.4419 486 L 4.1983 8.3435 118.6179 57.6703 41.7087 179.3753 487 R 4.2087 7.7414 116.7736 58.2917 30.4808 177.8081 488 E 4.6126 8.8004 115.5847 56.0771 31.1021 176.0193 489 M 4.5670 7.8500 119.3912 54.9767 32.6073 177.5767 490 R 2.6713 7.8113 118.4583 58.1280 30.3907 178.1830 491 H 4.2949 7.7797 111.3939 56.8412 28.5580 175.7549 492 R 4.4911 7.0467 118.0357 55.8894 31.1399 175.7402 493 F 5.1253 6.8544 111.2025 55.0643 41.2433 174.1821 494 Q 4.4013 10.0068 125.1937 55.3045 30.4673 176.8646 495 T 3.9454 8.4654 117.3933 66.8961 68.1523 176.7993 496 Q 4.1193 8.2194 119.3297 59.1164 28.6434 178.7725 497 Q 3.9346 8.0397 118.2962 58.0956 28.8926 178.1227 498 L 3.6452 7.6234 120.2026 57.8144 41.5832 179.2399 499 L 4.2230 7.5737 119.4312 57.7759 41.9334 178.8396 500 E 4.0097 8.0339 118.5163 59.4871 29.5159 178.7226 501 M 3.9790 8.1292 118.8313 58.7029 31.9437 178.4845 502 C 4.1915 7.9437 116.2611 62.8653 28.2488 176.2335 503 K 4.0274 8.1601 121.0582 59.4611 31.8594 178.3534 504 D 4.3638 8.3155 119.4030 57.6547 40.7959 179.1419 505 V 3.6085 7.7975 118.3199 66.2511 31.5741 177.6242 506 C 3.6783 8.5492 118.7147 62.2571 31.4367 175.4561 507 E 3.9210 8.5141 120.4941 59.1073 29.0433 179.0571 508 A 3.7206 7.7762 120.7023 55.4384 18.3619 179.6822 509 M 3.5800 7.8044 117.2102 58.0031 31.7281 178.6275 510 E 3.9317 7.9225 119.6901 59.1441 29.8410 178.1598 511 Y 3.9491 7.7323 119.3148 60.6791 38.9266 177.7920 512 L 3.7653 7.8474 119.7744 57.9700 41.7532 179.2736 513 E 4.0223 8.4281 119.4961 59.3787 29.3824 179.0430 514 S 4.1482 7.8729 113.0026 60.6444 63.0601 175.5305 515 K 4.1983 7.2907 119.6318 54.9850 32.3290 176.2327 516 Q 3.4801 7.9636 117.3480 57.1751 26.9062 173.5701 517 F 4.7447 8.2185 118.2520 56.2252 41.6035 174.1333 518 L 4.6594 7.6380 127.7359 54.0054 43.0766 176.2282 519 H 4.3456 10.2430 123.6021 58.9314 30.0279 177.9064 520 R 4.3992 9.0120 114.6481 56.7777 29.0015 175.9742 521 D 4.7114 7.9271 117.6825 53.0348 41.5983 175.0756 522 L 3.8259 8.2316 120.0810 54.8922 42.6661 175.3425 523 A 4.4316 8.0439 126.2503 50.9767 21.9728 176.4284 524 A 4.0517 9.3691 124.0086 55.2665 18.5787 180.7318 525 R 3.9806 7.9780 110.9792 58.7892 29.7140 176.9150 526 N 4.9481 8.3435 115.4307 53.0200 39.9659 174.1015 527 C 5.3512 8.0247 116.3711 58.0305 31.8863 172.9060 528 L 5.2546 8.9565 120.2942 52.9671 46.0719 175.6375 529 V 4.7119 8.3516 120.3500 61.1654 34.5619 175.6029 530 N 4.7273 8.6015 125.9150 51.3575 38.9651 175.3355 531 D 4.3494 8.5138 116.8111 55.8037 39.2732 176.9006 532 Q 4.2905 8.4638 117.6600 55.4772 29.2411 176.4400 533 G 3.7826 8.2189 106.6702 45.2804 0.0000 173.8106 534 V 3.7588 7.5835 120.3424 62.4144 32.0484 174.8118 535 V 4.5457 8.2647 127.8349 62.0251 32.5904 175.2845 536 K 4.8556 9.0559 126.2216 54.4324 36.6080 175.7264 537 V 4.1171 8.7296 124.5258 63.0479 33.0888 174.9037 538 S 5.1984 8.7415 121.2995 56.5950 66.8664 173.3108 539 D 4.3234 8.5164 116.7828 55.1509 38.0453 175.5718 540 F 4.4148 7.4547 112.8996 57.9904 38.5248 176.7728 541 G 3.6383 7.1200 110.0095 46.8849 0.0000 173.5846 542 L 4.5196 6.5393 121.2402 54.2748 40.0650 178.2645 *559 F 4.3903 8.5323 129.5002 58.3249 40.3712 174.0271 560 P 4.7926 0.0000 0.0000 62.2335 29.3760 176.8187 561 V 3.8601 8.0658 124.0915 66.9074 32.1494 177.9383 562 R 4.0362 8.2971 116.6701 57.8218 30.0532 177.0186 563 W 4.8428 8.3604 116.3001 56.2363 29.5026 175.4093 564 S 4.6813 7.6953 114.7175 55.7459 64.7184 173.1268 565 P 2.0000 0.0000 0.0000 60.7964 33.1828 175.6988 566 P 3.8977 0.0000 0.0000 65.9190 31.0266 178.4235 567 E 3.6904 7.7849 116.6849 58.6954 29.5217 179.3330 568 V 3.2949 7.2410 118.9621 65.8619 31.5012 177.8082 569 L 3.7423 7.2404 117.1950 57.5706 41.4260 178.6958 570 M 4.0636 7.6069 117.3807 56.3870 32.4991 176.6652 571 Y 4.8187 6.4757 111.8038 56.7389 40.1264 174.8930 572 S 3.7879 7.8843 114.3339 59.4596 61.0133 173.7904 573 K 4.3328 7.8098 122.2231 55.6022 30.4480 174.7424 574 F 4.5234 8.4852 122.4341 56.2542 40.4176 175.4487 575 S 4.6509 8.7697 118.3253 56.4328 66.0327 175.1644 576 S 4.2623 8.8377 114.5350 62.0369 62.4769 176.4189 577 K 4.1339 7.9482 120.9988 58.4727 31.8370 179.3442 578 S 4.3290 7.9768 114.8157 61.2921 63.1450 176.1728 579 D 4.6451 8.2872 122.0643 57.2499 40.7855 178.5196 580 I 3.5220 8.0702 120.3607 64.0558 37.2301 178.1003 581 W 4.7792 8.5669 129.8327 60.1915 30.5555 177.9209 582 A 4.6577 8.5249 120.1733 55.1195 17.7682 179.4056 583 F 4.4414 8.8311 119.6913 61.5316 39.5526 177.3761 584 G 3.4929 8.2173 105.0278 48.0077 0.0000 175.7510 585 V 3.8479 8.1561 120.3151 65.5284 31.4754 177.7773 586 L 4.3632 8.6312 120.6651 58.6314 41.8937 178.7497 587 M 3.9913 8.1642 118.9457 58.2573 31.8879 178.5130 588 W 4.1096 8.4028 128.3264 60.5072 30.8135 177.7887 589 E 4.1039 8.6777 118.5647 59.5239 29.0818 179.3728 590 I 3.5980 7.9447 119.7328 64.7792 37.0468 178.1448 591 Y 3.9907 8.0214 115.5264 59.6887 37.7513 177.2038 592 S 4.2470 7.3622 113.6927 56.8512 63.4422 173.7299 593 L 3.5373 8.5062 120.4194 56.2275 39.3784 175.3215 594 G 3.9996 8.5182 104.3893 45.4882 0.0000 174.8517 595 K 4.1588 7.3698 118.0185 56.1352 32.5715 176.5668 596 M 4.3921 8.5597 121.9234 54.5342 32.8346 174.4809 597 P 3.1692 0.0000 0.0000 63.6315 32.3163 175.6655 598 Y 3.2558 7.0907 118.1685 58.5218 35.0655 171.8322 599 E 4.0280 8.1427 117.5364 58.8182 29.8816 177.9210 600 R 4.4539 7.5507 115.7289 55.7862 31.0219 175.5769 601 F 5.4872 7.8536 117.6417 55.7988 41.2670 176.1962 602 T 4.3280 8.8958 114.8060 61.1416 70.8318 175.5282 603 N 4.2884 8.7057 118.2558 56.7291 38.5021 177.7205 604 S 4.0483 8.0014 115.7254 61.6562 62.9403 176.4847 605 E 3.9012 8.0220 121.0556 59.5541 29.0826 179.3153 606 T 3.5791 8.0050 115.6942 66.5729 68.6444 176.0179 607 A 3.7916 8.0862 122.7076 55.3372 18.4736 179.5056 608 E 3.7491 7.8823 116.5884 60.0202 29.4845 179.5069 609 H 4.1450 8.2568 116.4704 58.6093 28.5595 178.0299 610 I 3.8053 7.9607 121.9101 64.4358 36.7448 178.2795 611 A 3.9250 7.4513 119.6432 55.1152 18.2548 178.9149 612 Q 4.2465 7.7058 113.2223 56.1924 28.7938 176.9814 613 G 3.9364 8.0681 108.5814 45.6515 0.0000 173.6074 614 L 4.2403 8.0381 121.6175 54.6199 42.5847 176.4565 615 R 4.6447 8.2568 123.2653 53.6359 33.6641 175.3661 616 L 3.5233 7.2952 119.8104 54.6311 41.8758 177.2733 617 Y 4.4219 8.0485 120.7886 56.4077 38.7582 175.4904 618 R 3.5381 8.0457 121.4680 55.2383 30.3547 174.7092 619 P 4.4906 0.0000 0.0000 62.5484 32.0719 177.0350 620 H 4.1246 8.8869 118.8836 59.2411 28.7022 176.9555 621 L 4.1587 7.8999 116.8348 56.4371 41.8954 176.7790 622 A 3.8835 7.7750 122.9792 51.0038 19.2012 178.1463 623 S 4.4483 8.2099 118.3263 57.6910 65.5912 175.2873 624 E 4.0065 8.5488 120.9957 59.3967 28.7295 179.7442 625 K 3.9501 7.9606 118.1076 59.3977 32.2057 179.3901 626 V 3.4919 7.5192 118.0596 66.1173 31.4052 177.3794 627 Y 4.1182 8.0562 119.2950 61.1001 38.6644 178.0381 628 T 3.6855 7.9893 116.5635 66.6341 68.2387 176.6401 629 I 3.5943 6.9896 120.5282 64.4991 37.6015 178.0184 630 M 3.6858 7.5857 117.8407 58.3125 30.8822 177.7409 631 Y 2.8454 7.6547 121.1030 59.9436 38.5871 178.3694 632 S 4.0152 7.4064 113.8146 61.2813 63.3061 175.8213 633 C 4.1890 7.3931 119.5147 60.8587 27.4573 174.6365 634 W 3.8433 6.6817 119.8324 55.8807 28.9267 175.4081 635 H 4.1314 8.0462 118.5439 56.0571 29.7889 174.6510 636 E 4.1921 9.0821 127.4953 59.0068 29.8476 177.1184 637 K 4.3732 8.2640 118.6639 54.9607 33.1547 177.1498 638 A 4.1086 8.8869 127.8813 55.2852 18.4773 178.9922 639 D 4.4723 8.0506 113.4464 55.7466 39.5288 176.8700 640 E 4.2217 7.8246 117.9761 56.8332 29.9787 176.8091 641 R 4.1498 7.4879 118.8821 54.7647 30.7794 174.6373 642 P 4.4281 0.0000 0.0000 62.5134 32.4806 176.0528 643 T 4.2084 7.8292 109.5431 60.5384 71.6246 175.5597 644 F 4.1078 8.9623 119.5672 60.0688 38.8109 177.9167 645 K 3.8890 7.8444 119.1420 59.6428 31.9456 178.7756 646 I 3.6828 7.5912 119.6005 64.4984 36.9817 178.4339 647 L 4.0134 7.8308 119.7510 57.6101 41.3864 179.3551 648 L 3.9805 8.3828 120.9580 58.2222 42.0581 179.2309 649 S 4.1468 8.0003 113.8709 61.5154 62.8723 176.1371 650 N 4.3229 8.6079 120.5102 56.1336 38.2622 177.4731 651 I 3.7692 8.1091 121.3754 64.3811 37.2282 178.4744 652 L 4.0173 8.0988 119.8554 57.7918 41.4155 179.1995 653 D 4.3569 8.0925 118.7829 57.6276 40.7767 179.1682 654 V 3.6188 7.8158 118.5200 66.1505 31.6172 177.6789 655 M 3.9628 8.2832 118.1138 58.7890 31.8529 178.0141 656 D 4.4910 8.1018 118.1784 57.1650 41.0158 178.3616 657 E 4.1929 7.9309 118.3899 59.1685 29.6989 178.1722 658 E 4.4807 8.3882 116.1952 55.8734 29.6837 176.5576 659 S 4.2622 7.5838 118.8996 59.0988 63.2808 175.3443 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 391 G 8.35 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 0.00 392 Y 8.34 4.47 0.00 3.35 3.11 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 0.00 0.00 0.00 0.00 393 G 7.79 3.86 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 0.00 0.00 0.00 394 S 8.73 4.28 0.00 3.79 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 0.00 395 W 8.16 4.37 0.00 3.73 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 0.00 396 E 8.32 4.79 0.00 2.21 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 2.62 2.61 0.00 397 I 8.85 4.62 2.23 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.73 1.26 0.00 0.00 398 D 8.84 4.71 0.00 2.83 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 0.00 399 P 0.00 4.39 0.00 2.49 2.64 0.00 3.84 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.13 0.00 400 K 8.23 4.26 0.00 1.88 1.87 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.60 1.57 7.81 401 D 8.11 4.21 0.00 2.32 1.54 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 0.00 402 L 7.21 4.60 0.00 1.50 0.90 0.68 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 403 T 8.07 4.44 4.08 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 1.15 0.00 0.00 404 F 8.87 4.30 0.00 2.84 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 0.00 405 L 8.87 4.68 0.00 1.40 1.70 0.79 1.05 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 0.00 406 K 7.83 4.80 0.00 1.87 1.75 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.68 7.81 407 E 8.86 4.82 0.00 2.03 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 2.30 2.52 0.00 408 L 9.93 4.80 0.00 1.62 1.73 1.22 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 409 G 7.48 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 0.00 410 T 7.27 5.17 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 1.24 0.00 0.00 *414 G 8.08 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 0.00 0.00 0.00 0.00 415 V 9.03 4.46 2.16 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 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 H 8.12 4.39 0.00 1.79 2.59 0.00 5.73 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 455 E 8.20 3.99 0.00 2.01 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 2.06 2.14 0.00 456 K 8.09 4.49 0.00 1.77 1.83 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.55 7.81 457 L 7.56 4.99 0.00 1.49 1.43 0.48 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 458 V 8.64 3.75 2.18 0.00 0.00 0.00 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 0.99 0.00 0.00 459 Q 9.27 4.48 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.49 2.63 0.00 460 L 8.66 4.15 0.00 1.47 1.36 0.86 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 461 Y 9.09 4.73 0.00 2.90 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 495 T 8.47 3.95 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 1.30 0.00 0.00 496 Q 8.22 4.12 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.92 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 497 Q 8.04 3.93 0.00 2.44 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.75 0.00 0.00 0.00 0.00 0.00 2.55 2.45 0.00 498 L 7.62 3.65 0.00 1.27 0.70 0.62 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 499 L 7.57 4.22 0.00 2.06 1.75 1.09 1.04 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 0.00 500 E 8.03 4.01 0.00 2.24 1.98 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 2.42 2.42 0.00 501 M 8.13 3.98 0.00 1.95 2.15 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.44 0.00 502 C 7.94 4.19 0.00 3.34 3.17 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 577 K 7.95 4.13 0.00 1.86 1.96 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.65 7.81 578 S 7.98 4.33 0.00 4.01 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 0.00 579 D 8.29 4.65 0.00 3.24 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 0.00 580 I 8.07 3.52 2.01 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.18 0.85 0.00 0.00 581 W 8.57 4.78 0.00 3.67 3.33 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 0.00 582 A 8.52 4.66 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 0.00 0.00 0.00 0.00 0.00 583 F 8.83 4.44 0.00 3.59 3.54 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 0.00 584 G 8.22 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 0.00 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0.00 0.00 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 T 8.90 4.33 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 0.00 603 N 8.71 4.29 0.00 2.79 2.96 0.00 0.00 6.81 7.57 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 0.00 604 S 8.00 4.05 0.00 3.82 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 0.00 605 E 8.02 3.90 0.00 2.08 1.53 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 2.18 2.27 0.00 606 T 8.01 3.58 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 0.28 0.00 0.00 607 A 8.09 3.79 1.22 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 0.00 0.00 0.00 608 E 7.88 3.75 0.00 1.94 1.78 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 2.19 2.38 0.00 609 H 8.26 4.14 0.00 3.08 3.29 0.00 5.82 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 0.00 610 I 7.96 3.81 1.87 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.69 0.71 0.00 0.00 611 A 7.45 3.93 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 612 Q 7.71 4.25 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.09 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 613 G 8.07 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 0.00 614 L 8.04 4.24 0.00 1.70 1.85 1.06 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 615 R 8.26 4.64 0.00 2.07 1.82 0.00 3.08 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.39 0.00 616 L 7.30 3.52 0.00 0.61 0.36 -0.53 -1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 617 Y 8.05 4.42 0.00 3.04 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 0.00 618 R 8.05 3.54 0.00 0.67 1.43 0.00 3.28 0.00 0.00 2.96 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.29 0.00 619 P 0.00 4.49 0.00 2.09 1.57 0.00 3.61 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.07 0.00 620 H 8.89 4.12 0.00 3.12 3.38 0.00 5.89 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 0.00 621 L 7.90 4.16 0.00 1.97 1.92 0.93 0.80 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 0.00 622 A 7.78 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 623 S 8.21 4.45 0.00 4.04 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 0.00 624 E 8.55 4.01 0.00 2.00 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 2.39 2.34 0.00 625 K 7.96 3.95 0.00 1.89 1.84 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.52 1.44 7.81 626 V 7.52 3.49 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 0.28 0.00 0.00 0.84 0.00 0.00 627 Y 8.06 4.12 0.00 3.05 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 0.00 628 T 7.99 3.69 4.36 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 1.14 0.00 0.00 629 I 6.99 3.59 1.97 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 1.54 0.63 0.93 0.00 0.00 630 M 7.59 3.69 0.00 2.04 2.02 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 2.11 2.46 0.00 631 Y 7.65 2.85 0.00 2.05 2.51 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 0.00 632 S 7.41 4.02 0.00 4.01 4.02 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 0.00 633 C 7.39 4.19 0.00 2.36 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 0.00 634 W 6.68 3.84 0.00 2.63 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 0.00 0.00 0.00 635 H 8.05 4.13 0.00 3.10 3.22 0.00 5.75 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 636 E 9.08 4.19 0.00 2.05 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 2.37 2.42 0.00 637 K 8.26 4.37 0.00 1.85 1.93 0.00 1.79 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 1.53 7.81 638 A 8.89 4.11 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 0.00 639 D 8.05 4.47 0.00 2.79 2.82 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 0.00 640 E 7.82 4.22 0.00 1.71 1.64 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 2.21 2.22 0.00 641 R 7.49 4.15 0.00 1.95 1.82 0.00 3.30 0.00 0.00 3.71 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.79 0.00 642 P 0.00 4.43 0.00 2.07 2.00 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.85 0.00 643 T 7.83 4.21 4.52 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 0.00 0.00 1.18 0.00 0.00 644 F 8.96 4.11 0.00 3.20 2.96 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 0.00 645 K 7.84 3.89 0.00 1.97 1.82 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.51 7.81 646 I 7.59 3.68 1.95 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 1.50 0.43 0.88 0.00 0.00 647 L 7.83 4.01 0.00 1.81 1.75 0.70 0.57 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 0.00 648 L 8.38 3.98 0.00 1.81 1.89 0.94 0.77 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 0.00 649 S 8.00 4.15 0.00 4.13 4.11 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 0.00 0.00 0.00 0.00 650 N 8.61 4.32 0.00 2.89 2.91 0.00 0.00 7.02 7.08 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 0.00 651 I 8.11 3.77 2.13 0.00 0.00 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 1.63 0.81 0.99 0.00 0.00 652 L 8.10 4.02 0.00 1.71 1.73 0.94 0.97 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 0.00 653 D 8.09 4.36 0.00 2.99 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 0.00 654 V 7.82 3.62 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 1.03 0.00 0.00 0.96 0.00 0.00 655 M 8.28 3.96 0.00 2.22 2.26 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 2.64 2.61 0.00 656 D 8.10 4.49 0.00 2.89 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 0.00 657 E 7.93 4.19 0.00 2.10 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 2.35 2.45 0.00 658 E 8.39 4.48 0.00 2.03 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 2.33 2.41 0.00 659 S 7.58 4.26 0.00 3.86 3.86 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 * Residues marked with a * may have inaccurate shift predictions.