NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 307 A 4.3024 8.1233 123.5829 52.3353 20.6444 178.0941 308 L 4.2824 7.8537 112.5750 54.7227 41.4828 176.0834 309 S 4.6436 8.3795 114.8323 58.1923 64.6642 173.9013 310 L 4.5937 7.5523 121.2412 53.7863 42.5864 177.3018 311 T 4.1396 10.6610 113.5469 60.8890 70.9016 175.4985 312 A 3.8944 8.4469 123.0374 55.8781 18.2498 179.8109 313 D 4.3207 7.9157 116.3657 57.5221 40.8100 178.9720 314 Q 4.0552 8.3583 120.4909 58.3424 28.5978 178.1541 315 M 3.9427 8.1907 119.4800 58.8151 32.1934 178.4551 316 V 3.5834 7.7807 118.3526 65.8979 31.6608 178.1897 317 S 4.0550 8.1029 113.6382 61.3989 63.0878 175.8083 318 A 4.0710 8.1106 125.3257 54.9502 17.8103 179.5447 319 L 3.9189 7.9864 115.7710 58.1096 42.0316 179.3490 320 L 4.1324 8.1379 118.9940 58.1047 41.3055 179.2569 321 D 4.3770 8.3340 117.1290 57.1057 41.3133 177.5001 322 A 4.3099 7.7458 118.2885 52.0368 18.7655 177.4537 323 E 4.0032 7.5086 118.0948 55.6889 30.0545 175.5689 324 P 4.5476 0.0000 0.0000 61.5982 32.2566 174.2236 325 P 4.4593 0.0000 0.0000 62.4660 32.0894 175.7537 326 I 4.0908 8.0286 120.5372 60.2917 37.6089 176.2878 327 L 4.4931 8.2555 125.5889 54.2339 42.8329 175.2778 328 Y 4.5427 8.1759 116.8688 56.0345 40.5133 175.9299 329 S 4.3735 9.6379 117.0610 57.4678 63.1293 173.7518 330 E 3.8258 8.9558 126.7018 57.5835 29.5170 177.5371 *331 Y 3.9394 9.3337 124.0758 58.6606 37.2006 174.7913 332 D 4.5564 7.7398 121.4452 51.9274 37.6554 173.3277 333 P 4.3549 0.0000 0.0000 63.0803 30.9360 177.5126 334 T 4.5741 8.3367 103.6915 59.8415 72.1860 173.7065 335 R 4.2255 8.0382 123.7892 53.2614 33.1665 173.0984 336 P 4.0835 0.0000 0.0000 62.3085 32.0298 176.2401 337 F 4.5566 7.8619 119.7227 57.5568 40.0507 174.7431 338 S 4.9163 8.1096 117.3873 56.7893 66.4646 174.2651 339 E 3.9650 8.5499 120.2260 59.8256 29.4157 178.8991 340 A 3.9830 7.9311 120.3961 55.0270 18.4759 179.4043 341 S 3.9939 8.0712 111.6899 61.7606 62.5008 176.1136 342 M 3.4765 7.9029 120.6800 58.6744 31.9040 178.0070 343 M 4.0548 8.2340 119.1217 58.2506 32.1134 178.9712 344 G 3.5421 8.1852 105.8757 47.7212 0.0000 175.7888 345 L 4.0115 7.7301 121.6792 57.5251 41.6854 179.5394 346 L 3.8480 8.2451 119.1630 58.0513 41.4772 179.9446 347 T 3.8778 8.3433 115.9558 66.4803 68.4504 176.1360 348 N 4.2269 8.4847 119.3736 56.7961 38.9734 176.1037 349 L 3.9098 8.2152 121.5510 58.4218 42.0887 178.5139 350 A 4.1164 8.1526 120.2314 55.7130 18.0744 179.4248 351 D 4.2185 7.9825 115.9297 57.5092 41.1837 178.9541 352 R 4.1009 8.1767 118.6426 59.3216 30.1152 178.9724 353 E 4.0809 8.8196 118.8345 59.2438 29.3237 178.9541 354 L 4.0068 8.5154 120.8734 58.2008 41.6369 179.3701 355 V 3.5798 7.7641 118.3024 66.2882 31.3872 177.7816 356 H 4.3516 8.0950 115.4375 58.6655 28.5339 177.1390 357 M 4.1657 8.2518 120.3930 58.7353 31.9986 178.3008 358 I 3.7216 7.6482 119.6226 64.4387 37.0723 178.0606 359 N 4.2468 7.5581 114.6263 56.0298 38.6686 176.9648 360 W 4.2130 8.6178 129.6589 60.4565 30.8047 177.4779 361 A 2.5800 8.7625 121.8480 54.9933 17.3947 179.6436 362 K 4.1433 7.6000 114.4725 58.4062 32.1786 178.6020 363 R 4.4830 7.8013 117.1794 54.8220 30.7000 176.2013 364 V 3.5073 7.0455 120.9754 60.9867 31.3554 173.1508 365 P 4.1796 0.0000 0.0000 64.9147 31.6196 174.8308 366 G 4.2112 9.2590 111.5692 46.9232 0.0000 175.0639 367 F 3.9052 9.1247 122.5189 61.2511 39.2970 176.8365 368 V 4.0459 7.7664 115.9097 62.0656 31.2190 176.2740 369 D 4.4639 7.9888 122.3504 56.5297 41.1913 177.0447 370 L 4.1769 7.1758 117.9287 54.0431 42.4420 177.3439 371 T 4.0880 8.0369 110.9355 61.1309 70.8478 174.9476 372 L 3.8043 8.5194 125.1377 59.1311 42.0032 179.1061 373 H 4.2025 8.2585 117.1015 59.3961 29.7074 176.7443 374 D 4.3273 7.9059 120.3963 56.9489 40.5131 178.6900 375 Q 3.5039 7.9931 118.7902 58.8696 28.6734 178.7578 376 V 3.4744 7.9390 119.5208 66.3913 31.1415 177.6910 377 H 4.2397 7.7502 114.4456 58.9049 28.7017 177.1431 378 L 4.2477 7.9572 119.5285 58.2224 41.8880 179.5476 379 L 4.3285 8.4404 118.6647 57.7368 41.3874 178.9304 380 E 3.7664 8.5665 117.1089 58.0566 30.4134 177.3988 *382 A 4.2978 7.9461 120.6091 51.4855 20.8984 179.0067 383 W 4.4610 8.4037 114.5607 60.0486 27.7231 178.3107 384 L 3.2260 6.1473 120.6551 57.0997 41.3272 178.3817 385 E 3.8205 7.7600 118.1004 59.5247 29.5404 179.3446 386 I 3.5466 7.9654 119.9899 64.3147 37.1675 178.5142 387 L 4.0378 8.2274 120.2025 57.8987 41.3487 179.6453 388 M 3.9447 8.1676 119.0039 58.4284 31.9427 178.5558 389 I 3.9621 8.4918 119.6148 64.0919 37.9906 178.1245 390 G 3.7942 8.1315 106.4701 47.5403 0.0000 175.4642 391 L 3.8000 7.8593 122.7375 57.8541 41.9269 179.1431 392 V 3.4041 7.8172 117.0371 65.7743 31.8865 177.3494 393 W 4.4402 8.5770 128.4007 60.4452 30.3293 177.5912 394 R 3.8917 8.2559 113.6325 57.7102 29.4897 177.7525 395 S 4.3682 7.7058 115.5391 59.6325 62.9639 175.6518 396 M 3.8833 7.1927 121.3063 58.2071 31.7229 177.1122 397 E 4.3860 7.5508 115.1148 56.6704 30.4733 176.6681 398 H 4.8124 8.0477 113.5792 53.0275 29.2689 171.6424 399 P 4.1932 0.0000 0.0000 64.6279 31.7900 177.4093 400 G 4.0641 9.5047 111.8641 45.0092 0.0000 172.6343 401 K 5.1050 8.0284 117.6477 54.4582 36.2288 175.3357 402 L 4.4528 8.9680 121.0583 53.0114 43.6875 176.9895 403 L 4.3867 8.0422 128.1199 53.2460 40.4514 175.8017 404 F 4.0796 8.1082 120.4712 60.0281 39.7061 175.3877 405 A 4.5265 7.6685 119.4666 50.2533 22.3361 175.2294 406 P 4.0916 0.0000 0.0000 65.4929 31.3273 177.5686 407 N 4.9409 7.8879 112.6919 52.5265 37.7758 175.9062 408 L 4.6232 7.9250 120.2300 54.3808 42.7934 174.4330 409 L 4.8384 7.7364 121.1098 53.9034 42.3525 175.9085 410 L 5.1704 8.8283 126.1466 53.4231 44.5697 175.1181 411 D 5.4703 9.1641 120.2551 51.2539 42.6956 176.9420 412 R 3.1468 8.1119 118.7399 59.6750 30.2323 177.0840 413 N 4.3055 8.0960 115.7929 56.9126 38.8667 176.5057 414 Q 4.1162 8.4988 119.4125 58.9955 28.4624 179.1051 415 G 3.3783 7.6768 108.6989 47.6637 0.0000 175.7521 416 K 3.9386 7.3714 123.6637 58.4668 31.9614 183.1249 417 C 4.4338 8.2203 115.1024 62.5332 28.3346 174.0142 418 V 4.2061 7.0284 120.7012 60.9696 32.7606 174.6210 419 E 3.7579 8.5612 121.9336 56.3484 29.5029 178.4501 420 G 3.9816 8.2026 117.3874 45.7592 0.0000 172.2906 421 M 4.4291 7.3668 114.5164 55.0660 32.6878 177.5710 422 V 3.9084 7.7202 120.2825 66.5402 31.5384 176.9900 423 E 3.9571 8.2966 117.3619 59.8884 29.1039 179.6119 424 I 3.7480 7.7262 118.8141 64.1798 37.3304 177.8419 425 F 4.1424 9.3652 122.6102 61.5524 39.1106 176.9031 426 D 4.4349 8.9021 118.4291 57.7088 40.6974 178.4796 427 M 3.9759 7.9251 119.0364 58.6398 32.0252 178.6494 428 L 3.8470 8.8105 119.7617 57.8817 41.7869 179.6602 429 L 3.8439 8.2454 118.6683 57.8169 41.5279 179.4921 430 A 3.9598 8.3012 120.9667 55.3070 18.2548 179.7515 431 T 3.5590 8.2547 114.7960 66.8180 68.5249 177.0850 432 S 3.9059 7.7685 115.9492 61.1728 62.8169 176.2878 433 S 4.0351 7.9836 116.9291 61.4144 62.1178 176.2409 434 R 3.6395 8.2183 121.5847 59.2086 29.7615 178.4729 435 F 4.6430 8.2668 118.0683 60.5414 38.7991 177.4070 436 R 3.8309 8.5071 118.7753 59.6703 29.7349 177.9799 437 M 4.1553 8.6304 118.2347 59.2053 32.2711 178.6237 438 M 4.1937 8.6102 116.1130 55.4307 32.6903 175.6003 439 N 4.1505 8.8282 117.7263 53.5113 37.8947 173.8598 440 L 4.0839 8.2052 118.1274 55.7305 43.0350 175.8147 441 Q 4.9090 8.6501 123.1826 54.1468 31.4391 177.0154 442 G 3.9300 8.9189 109.3255 48.0970 0.0000 175.9798 443 E 4.0135 8.3097 121.4122 58.5704 29.4077 179.2045 444 E 4.1578 8.9434 119.7023 58.6938 29.6733 178.5096 445 F 3.8758 7.8007 120.2705 61.3329 39.4732 177.2704 446 V 3.1228 7.6666 117.4922 65.5696 31.2391 177.9554 447 C 4.0989 7.3098 116.9941 62.7273 27.9387 175.8774 448 L 3.9722 8.1180 120.9811 57.6371 41.0404 179.8498 449 K 3.8194 7.9638 118.7126 59.5210 31.8761 179.5509 450 S 4.2300 8.0133 115.1121 61.6543 62.6354 176.8437 451 I 3.6893 7.8541 122.4134 64.4748 36.9633 178.4490 452 I 3.6871 7.9132 120.8001 64.1895 36.6825 178.1288 453 L 4.0134 8.0585 120.2240 58.4788 42.0986 178.9480 454 L 4.1837 8.0784 117.5685 57.2269 41.4743 178.2539 455 N 4.5934 8.5593 116.8801 55.3816 39.0555 177.1977 456 S 4.1300 8.0491 115.8344 60.5563 63.3463 175.0968 457 G 4.0798 7.9279 106.9346 44.8359 0.0000 174.9949 458 V 3.7572 7.2877 118.6635 64.0653 31.4380 176.8341 459 Y 4.5058 7.6593 122.0990 57.3633 36.0597 175.9477 *470 E 4.2835 8.1475 117.6126 55.7528 32.7557 178.6345 471 E 4.3705 8.2257 120.3912 62.2729 30.2323 184.0263 472 K 3.9930 8.0378 124.7787 59.9280 31.3878 179.7948 473 D 4.5720 8.1203 117.3123 57.4742 41.3029 177.5731 474 H 4.3175 8.2920 118.4686 59.5180 29.8787 177.2589 475 I 3.6315 7.7109 121.0013 64.7784 36.8750 178.0072 476 H 4.3866 8.2516 116.8103 58.5724 28.3835 177.6388 477 R 4.0863 7.9540 119.5452 58.1079 30.1359 178.9701 478 V 3.5874 7.4622 118.0928 65.6529 31.6320 177.8326 479 L 3.9784 8.2852 119.2217 58.0225 41.4639 179.2362 480 D 4.3834 8.3909 119.0502 57.1992 40.6336 178.8103 481 K 4.0973 8.2557 120.6078 59.6206 32.1759 179.0081 482 I 3.6998 8.3134 120.5261 64.3612 36.8755 178.4815 483 T 3.8235 7.9883 116.7067 66.7796 68.2663 175.8238 484 D 4.4563 8.1455 120.7485 58.1407 40.9121 179.4774 485 T 3.8070 8.0963 115.7536 66.5502 68.2982 176.3944 486 L 3.9423 8.4791 122.4396 58.3637 42.1268 179.1935 487 I 3.7373 8.4949 120.1376 64.4907 37.0195 177.7106 488 H 4.0437 9.0177 119.7218 59.4902 29.1670 177.3056 489 L 4.0989 8.2485 120.5843 57.8184 41.2776 179.4311 490 M 4.1130 7.7468 118.7317 58.0375 31.7518 178.4553 491 A 3.9175 8.0765 120.9332 55.1625 18.4638 179.5087 492 K 3.6531 7.8034 116.9917 59.2108 32.2708 177.3712 493 A 4.2076 7.4060 118.1704 52.4176 18.7734 177.9646 494 G 3.9772 9.6925 104.5927 44.6282 0.0000 174.2889 495 L 4.2176 7.7510 119.9285 54.8202 42.3876 177.8175 496 T 4.2179 10.1731 112.6939 61.2028 70.9399 175.8259 497 L 4.1450 8.3657 121.5065 57.9990 41.6684 179.5980 498 Q 3.6072 7.9464 118.8152 59.3689 29.0419 178.2574 499 Q 3.9753 8.3001 119.2529 58.8678 28.6545 178.5675 500 Q 3.9925 8.5594 119.7867 59.5361 28.7586 178.9217 501 H 4.3887 8.0164 115.3385 58.7981 28.4845 177.6988 502 Q 3.9982 7.9386 120.6848 58.7139 28.5563 178.5126 503 R 4.0317 8.2324 120.0066 59.2315 30.1424 178.0020 504 L 3.9100 8.4507 120.3376 58.4579 42.0565 178.9906 505 A 4.0316 8.3128 120.6160 55.2155 18.0450 179.6095 506 Q 4.0194 8.0049 115.9434 59.0345 29.0118 178.7905 507 L 4.1813 8.4077 120.4674 57.9149 41.7239 179.3020 508 L 4.0893 8.1325 118.7938 58.1412 41.3853 179.8140 509 L 4.0167 8.0905 118.5541 57.6188 41.4069 179.5143 510 I 3.8758 8.2447 120.3756 63.9998 36.9361 178.2474 511 L 4.0066 8.2690 120.5955 57.7019 41.3723 179.4288 512 S 4.0500 7.7404 115.1686 62.1350 62.6914 176.6231 513 H 4.3390 7.9522 118.1232 58.6659 28.5537 177.6448 514 I 3.6857 7.9561 121.7904 64.4448 36.9562 178.0670 515 R 3.8945 8.5689 119.8697 59.8886 29.6959 177.6491 516 H 4.0336 8.1433 117.5465 59.7685 29.8816 177.0048 517 M 3.9784 8.7563 120.8607 58.4473 31.6783 178.7689 518 S 3.9327 8.1189 113.2346 61.3473 62.4643 175.9528 519 N 4.2196 8.2294 119.3121 56.2421 38.2714 177.5710 520 K 4.0389 8.3319 120.4117 59.3520 32.0146 179.7028 521 G 3.5943 8.5082 106.3792 47.7903 0.0000 175.8307 522 M 3.6408 8.1996 121.4270 57.9913 31.8687 178.5709 523 E 3.8875 7.7920 118.4581 59.7892 29.5169 179.0006 524 H 4.3124 8.2171 118.1557 59.1827 29.6972 177.2616 525 L 4.0175 8.3690 120.8169 58.0020 41.5697 178.6833 526 Y 4.6296 8.2097 115.5808 60.1123 38.0148 177.7417 527 S 4.3601 8.0902 115.2891 61.5561 63.1993 176.2276 528 M 4.0983 7.6240 121.4280 57.7067 32.0549 175.8686 *535 P 4.4590 0.0000 0.0000 62.2389 33.8357 178.3751 536 L 3.8704 8.0192 119.3094 58.1873 41.7497 177.9901 537 Y 3.9690 8.1382 118.8805 61.0817 38.6000 178.0022 538 D 4.5035 8.2806 119.0311 57.1308 40.9168 178.2238 539 L 3.9535 8.2645 121.2510 58.3903 41.8823 179.2003 540 L 3.6534 8.4717 119.1454 57.3912 41.4309 179.3273 541 L 3.8646 8.2165 123.2561 58.6699 41.9814 179.3379 542 E 3.9640 8.7069 118.8227 61.5191 29.8144 180.6591 543 M 4.2253 8.7771 120.9491 58.3761 31.8657 179.0516 544 L 4.0313 9.3423 117.4323 57.7132 41.8004 178.8752 545 D 4.4206 8.6090 117.4261 57.0364 41.2801 177.5541 546 A 4.1341 8.3319 120.6302 56.3646 18.4894 176.7857 547 H 4.1541 7.8371 119.2354 55.8334 29.7842 174.1082 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 307 A 8.12 4.30 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 0.00 308 L 7.85 4.28 0.00 1.75 1.70 0.96 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 309 S 8.38 4.64 0.00 3.83 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 310 L 7.55 4.59 0.00 1.61 1.57 0.90 0.88 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 0.00 311 T 10.66 4.14 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 1.27 0.00 0.00 312 A 8.45 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 313 D 7.92 4.32 0.00 2.68 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 0.00 314 Q 8.36 4.06 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.21 0.00 315 M 8.19 3.94 0.00 2.32 2.04 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 2.57 2.58 0.00 316 V 7.78 3.58 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 1.08 0.00 0.00 1.00 0.00 0.00 317 S 8.10 4.05 0.00 4.13 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 318 A 8.11 4.07 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 0.00 319 L 7.99 3.92 0.00 1.61 1.79 0.96 0.87 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 0.00 320 L 8.14 4.13 0.00 1.89 1.76 0.94 1.22 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 0.00 321 D 8.33 4.38 0.00 2.87 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 0.00 322 A 7.75 4.31 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 0.00 0.00 0.00 0.00 0.00 323 E 7.51 4.00 0.00 2.21 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 2.44 0.00 324 P 0.00 4.55 0.00 2.13 2.05 0.00 3.62 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.68 0.00 325 P 0.00 4.46 0.00 2.16 2.07 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 326 I 8.03 4.09 1.84 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 1.41 0.58 0.79 0.00 0.00 327 L 8.26 4.49 0.00 1.66 1.68 1.01 0.83 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 0.00 328 Y 8.18 4.54 0.00 2.94 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 329 S 9.64 4.37 0.00 3.83 3.91 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 0.00 330 E 8.96 3.83 0.00 2.01 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 2.41 2.35 0.00 *331 Y 9.33 3.94 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 332 D 7.74 4.56 0.00 2.72 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 0.00 333 P 0.00 4.35 0.00 2.32 2.05 0.00 3.99 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.10 0.00 334 T 8.34 4.57 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 1.22 0.00 0.00 335 R 8.04 4.23 0.00 1.33 1.53 0.00 2.66 0.00 0.00 2.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.86 0.00 336 P 0.00 4.08 0.00 2.16 1.94 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 337 F 7.86 4.56 0.00 3.08 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.79 1.78 0.86 0.85 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 0.00 355 V 7.76 3.58 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 0.92 0.00 0.00 0.99 0.00 0.00 356 H 8.10 4.35 0.00 3.38 3.37 0.00 5.68 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 357 M 8.25 4.17 0.00 2.30 2.23 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.87 0.00 358 I 7.65 3.72 2.02 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 1.52 0.39 0.82 0.00 0.00 359 N 7.56 4.25 0.00 2.97 2.97 0.00 0.00 7.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 360 W 8.62 4.21 0.00 3.48 3.35 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 0.00 361 A 8.76 2.58 0.48 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 0.00 362 K 7.60 4.14 0.00 1.87 1.94 0.00 1.87 0.00 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1.50 1.82 0.00 413 N 8.10 4.31 0.00 2.82 2.90 0.00 0.00 7.06 6.68 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 0.00 414 Q 8.50 4.12 0.00 2.37 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 415 G 7.68 3.38 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 0.00 416 K 7.37 3.94 0.00 1.90 1.73 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.34 7.81 417 C 8.22 4.43 0.00 3.05 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 0.00 418 V 7.03 4.21 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 0.84 0.00 0.00 0.95 0.00 0.00 419 E 8.56 3.76 0.00 2.05 1.84 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 2.28 2.18 0.00 420 G 8.20 3.98 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 0.00 0.00 0.00 421 M 7.37 4.43 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0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.62 0.00 438 M 8.61 4.19 0.00 1.98 2.20 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 2.60 0.00 439 N 8.83 4.15 0.00 2.79 2.87 0.00 0.00 7.04 5.12 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 0.00 440 L 8.21 4.08 0.00 1.30 1.56 0.84 -0.15 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 0.00 441 Q 8.65 4.91 0.00 2.24 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.32 0.00 0.00 0.00 0.00 0.00 2.59 2.43 0.00 442 G 8.92 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 0.00 0.00 0.00 443 E 8.31 4.01 0.00 2.07 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 2.42 2.48 0.00 444 E 8.94 4.16 0.00 1.99 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 2.29 2.30 0.00 445 F 7.80 3.88 0.00 2.14 2.37 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 514 I 7.96 3.69 2.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.76 0.88 0.00 0.00 515 R 8.57 3.89 0.00 1.90 2.13 0.00 3.13 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 516 H 8.14 4.03 0.00 3.42 3.50 0.00 5.84 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 0.00 517 M 8.76 3.98 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.53 0.00 518 S 8.12 3.93 0.00 3.71 3.70 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 0.00 0.00 0.00 0.00 519 N 8.23 4.22 0.00 2.81 2.77 0.00 0.00 7.05 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 520 K 8.33 4.04 0.00 1.80 1.81 0.00 1.59 0.00 0.00 1.47 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.53 7.81 521 G 8.51 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 522 M 8.20 3.64 0.00 1.61 1.96 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.28 0.00 523 E 7.79 3.89 0.00 2.27 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 2.34 2.29 0.00 524 H 8.22 4.31 0.00 3.20 3.38 0.00 5.61 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 0.00 525 L 8.37 4.02 0.00 1.87 1.87 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 526 Y 8.21 4.63 0.00 2.87 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 0.00 527 S 8.09 4.36 0.00 4.10 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 528 M 7.62 4.10 0.00 2.03 2.36 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.64 0.00 *535 P 0.00 4.46 0.00 2.18 2.12 0.00 3.60 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 536 L 8.02 3.87 0.00 1.73 1.74 0.61 0.54 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 0.00 537 Y 8.14 3.97 0.00 3.10 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 0.00 538 D 8.28 4.50 0.00 2.90 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.26 3.95 0.00 1.80 1.60 0.83 0.46 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 0.00 540 L 8.47 3.65 0.00 1.64 1.60 0.90 0.69 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 0.00 541 L 8.22 3.86 0.00 1.50 1.79 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 542 E 8.71 3.96 0.00 1.97 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 2.25 2.23 0.00 543 M 8.78 4.23 0.00 1.94 2.22 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.57 0.00 544 L 9.34 4.03 0.00 1.66 1.74 0.93 1.22 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 0.00 545 D 8.61 4.42 0.00 2.78 2.69 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 0.00 546 A 8.33 4.13 1.36 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 0.00 0.00 0.00 547 H 7.84 4.15 0.00 3.33 3.31 0.00 5.79 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.