NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 305 S 4.4906 8.3193 115.2895 58.3766 63.6408 172.5843 306 L 4.5278 7.9730 116.6376 54.8467 42.4055 176.8703 307 A 4.0056 8.9926 123.4863 55.1324 19.3813 179.9194 308 L 4.0936 7.9203 114.1327 57.0758 41.8037 177.5711 309 S 4.7053 7.5152 112.2731 57.8829 62.4630 173.3853 310 L 4.7728 7.5831 117.2209 52.7469 43.5337 176.5451 311 T 4.2058 8.2809 117.7135 62.6337 69.5661 176.0588 312 A 3.8726 8.5553 125.3940 55.6294 18.0564 179.1856 313 D 4.7559 7.8499 112.5002 54.0921 40.4335 177.8919 314 Q 4.2801 7.6109 121.1966 57.8836 28.9578 177.8283 315 M 4.0062 8.1484 120.1566 58.2703 32.0480 178.6804 316 V 3.5510 7.4871 118.4712 65.9856 31.2452 177.9507 317 S 4.0656 7.6668 112.2938 61.6170 62.4865 176.0713 318 A 4.0285 7.5492 123.0459 54.6824 18.3766 179.3823 319 L 4.0734 7.9251 117.1193 58.0380 41.6631 179.4806 320 L 4.0255 8.3306 119.2929 58.3154 41.3526 179.5045 321 D 4.3623 8.2846 117.4343 56.8993 40.8342 178.2188 322 A 4.2404 8.1347 120.5264 53.4923 18.8649 177.4275 323 E 3.7402 7.2405 115.4191 55.4078 29.8945 175.7438 324 P 4.6131 0.0000 0.0000 61.1484 32.5576 173.7578 325 P 4.5525 0.0000 0.0000 62.3556 32.4172 175.0614 326 I 4.3094 7.9848 118.7915 59.6382 38.4454 175.6616 327 L 4.6141 8.1828 124.9183 53.6274 43.2833 175.7063 328 Y 4.4734 8.3421 118.8203 56.8135 39.4128 175.7678 329 S 4.7099 7.9465 118.3843 57.6368 64.6841 173.4790 330 E 4.5226 8.5176 115.5251 56.2430 29.9072 175.3083 331 Y 4.1844 7.9257 121.5550 58.6103 38.8963 174.9367 332 D 4.2446 8.5853 128.3652 52.3467 40.2263 174.7097 333 P 3.5144 0.0000 0.0000 64.0805 31.3774 177.5925 334 T 4.0798 7.2988 106.9907 62.0781 69.1983 174.3903 335 R 4.4392 7.5596 120.2761 53.3606 30.9353 174.3603 336 P 4.3043 0.0000 0.0000 62.5536 32.1808 174.9641 337 F 4.9554 8.3343 116.7855 56.0900 40.7274 175.8357 338 S 4.8737 9.1511 118.4495 55.7564 67.3411 174.9278 339 E 3.8463 8.5922 120.6841 59.5006 29.4266 178.4090 340 A 4.0738 7.9623 120.5654 54.8556 18.4425 179.6576 341 S 4.1547 7.9037 112.2641 62.5913 63.2352 175.6274 342 M 3.7686 8.4939 121.1805 58.3589 31.4522 178.2273 343 M 3.9837 8.3683 118.3950 58.8934 32.5905 178.9712 344 G 3.9235 7.9148 105.0877 48.1215 0.0000 175.3665 345 L 4.2236 8.2528 122.1686 57.5487 41.7373 179.8846 346 L 3.9950 8.2988 119.3903 57.6339 41.3760 179.6656 347 T 4.0141 8.7254 110.5847 64.5516 69.0714 176.2218 348 N 4.2469 8.4063 120.2325 56.4109 38.8380 176.5469 349 L 3.9537 7.9179 120.8582 58.2418 42.3304 178.5701 350 A 4.1075 8.0506 120.7611 55.3459 18.0652 178.9474 351 D 4.2870 8.2148 115.6237 57.8215 41.6149 178.6214 352 R 4.1363 8.0241 118.0080 59.1464 30.1013 178.8710 353 E 4.1213 8.7630 118.9855 59.1813 29.4624 179.1861 354 L 4.0762 8.0301 119.3616 57.8404 41.6808 179.7087 355 V 3.6332 7.4505 117.5287 66.3086 31.4702 177.9089 356 H 4.3116 8.1764 115.8355 58.9663 28.6278 177.5256 357 M 4.2902 8.2079 118.8987 58.2750 31.1583 178.7656 358 I 3.7816 7.7660 120.4253 64.4218 37.2151 177.8627 359 N 4.6337 7.9223 113.9465 54.6592 38.6561 176.5671 360 W 4.4186 8.2708 130.4166 59.8095 30.9681 177.8154 361 A 2.8365 8.6494 121.0536 54.6309 17.4283 179.5836 362 K 4.2294 7.7296 115.2368 58.4071 32.1167 178.6355 363 R 4.5567 7.3007 116.9127 54.4694 30.7589 175.6821 364 V 3.8628 6.6391 120.5904 59.1232 32.3369 173.6941 365 P 4.2622 0.0000 0.0000 64.3745 31.9065 174.9758 366 G 4.2355 9.1053 110.5010 46.6260 0.0000 175.2372 367 F 4.0643 8.3402 121.9712 61.1190 39.4104 177.5719 368 V 4.3869 7.6889 117.2423 63.6478 31.2681 176.9052 369 D 4.3984 7.8568 120.4708 56.5624 40.9399 176.6527 370 L 4.0915 7.2155 118.8426 53.8925 42.4378 177.5519 371 T 3.9581 7.6789 111.9602 61.4891 70.5255 175.1553 372 L 3.8591 8.3940 123.7882 58.9241 42.2486 178.9357 373 H 4.1840 8.1795 117.4182 59.4009 29.8253 176.7974 374 D 4.5660 7.7873 119.5335 57.1709 40.6823 178.7775 375 Q 3.6013 8.0380 118.8772 58.7061 28.6123 178.6912 376 V 3.6729 7.9549 119.3549 66.3078 31.3227 177.4983 377 H 4.1063 7.9069 115.9646 59.3498 29.8468 176.7220 378 L 4.1721 7.8236 119.2755 57.9478 41.7998 179.3173 379 L 4.3924 8.1981 118.7476 57.7984 41.3347 180.1413 380 E 3.9367 8.1088 113.9572 57.1517 29.5853 177.9274 *382 A 4.3231 8.0156 122.9087 51.2007 20.8519 179.3161 383 W 4.4585 8.4129 114.4998 59.9291 27.7792 177.9965 384 L 3.4862 6.5499 119.7121 56.6612 41.4052 178.3570 385 E 3.8586 7.7391 118.4090 59.3512 29.5345 179.1667 386 I 3.6405 7.8540 119.7990 64.2495 37.1554 178.3542 387 L 3.9751 7.9877 119.8801 58.1769 41.4378 179.6095 388 M 3.9554 8.1380 118.8198 58.4860 31.8748 178.7652 389 I 4.0333 8.1743 119.0686 63.6132 38.0978 178.0470 390 G 3.8211 8.0974 106.7914 47.7655 0.0000 175.1710 391 L 3.7647 7.9510 123.3636 57.8564 41.8390 179.2060 392 V 3.4643 7.8463 116.9488 65.6793 31.4950 177.5213 393 W 4.3419 8.3864 128.2476 60.5518 30.3235 178.3868 394 R 3.5206 7.8509 116.7618 58.6628 29.6565 178.4205 395 S 4.2681 7.6608 113.1601 59.1205 62.8670 175.6666 396 M 3.7646 7.2199 121.4835 57.5406 31.8598 176.8501 397 E 4.4830 7.7447 113.0673 56.2974 30.4248 176.0994 398 H 4.7692 8.5256 117.2223 53.1536 28.7950 170.7246 399 P 4.2436 0.0000 0.0000 64.1294 31.6511 177.3944 400 G 3.9540 8.9730 109.6921 45.5565 0.0000 172.8257 401 K 4.8502 8.1205 118.5518 54.2709 35.1906 175.5945 402 L 4.2364 8.9351 123.0125 53.0197 42.5716 176.1347 403 L 4.4530 7.8951 128.1471 53.4209 40.3989 175.9882 404 F 4.0364 8.2882 121.5168 59.6801 39.6913 175.6017 405 A 4.4542 8.1404 120.4939 50.3271 22.1304 175.1480 406 P 3.6556 0.0000 0.0000 65.1266 31.3938 177.0709 407 N 4.9722 8.2289 112.2898 52.6070 38.1829 174.7855 408 L 4.6155 8.7956 123.0431 52.9543 43.2807 172.8556 409 L 4.6995 8.3905 124.1461 52.9975 43.6443 174.6713 410 L 4.7196 9.2515 128.4189 53.0741 43.6554 176.3727 411 D 4.8443 8.7667 123.6738 53.5590 42.1720 177.0964 412 R 4.2774 8.1428 122.6448 59.5740 28.7496 178.7805 413 N 4.3317 8.1901 117.7219 56.4297 38.6799 176.7600 414 Q 4.1627 7.9801 118.8424 58.1648 28.8770 178.1802 415 G 2.6962 7.2230 106.0160 46.3266 0.0000 174.4449 416 K 4.0510 6.9696 120.7691 55.6733 30.5163 177.4983 *418 V 3.7217 7.3161 118.5238 62.2334 32.8825 173.8110 419 E 4.0005 8.5542 128.7599 57.3743 29.8496 176.8869 420 G 4.0532 8.8926 114.7792 46.2202 0.0000 174.5626 421 M 3.9479 7.6088 118.8095 57.7573 32.2063 178.4048 422 V 3.4708 7.5505 119.3426 64.7129 31.6095 177.9391 423 E 3.9688 8.1125 118.7266 59.4115 29.3793 179.2275 424 I 3.7661 7.7569 119.1893 64.4054 37.2076 178.3307 425 F 4.0987 8.4171 118.3382 60.6638 38.6688 177.4572 426 D 4.4211 8.1809 118.1548 57.5492 40.5632 178.7949 427 M 4.0077 8.0113 119.0568 58.4772 32.0159 178.7865 428 L 3.8393 7.9686 119.0735 57.6696 41.7109 179.7020 429 L 3.8204 8.3928 119.0525 57.6619 41.5990 179.3128 430 A 3.9533 8.0780 120.7968 55.4401 18.2078 179.8254 431 T 3.5091 7.8792 114.2385 66.6731 68.0812 176.7866 432 S 3.8758 7.7032 114.9567 61.3169 62.2988 176.2377 433 S 4.1139 8.3121 118.1835 61.5945 62.5324 176.5783 434 R 3.8543 8.2458 121.4108 59.7306 29.7517 178.2853 435 F 4.5476 8.3323 117.8006 60.8623 38.8735 177.9019 436 R 3.8739 7.9623 117.6767 59.6514 29.7675 178.0213 437 M 3.9935 8.0782 117.6104 59.1164 32.1959 178.4970 438 M 4.1880 8.2551 115.5688 55.1938 33.0854 175.5537 439 N 4.1264 8.1114 116.7679 53.6909 37.8481 174.1269 440 L 3.9668 8.0793 118.8771 55.9256 43.1736 176.5374 441 Q 4.8959 8.6288 123.8288 54.1308 32.1987 177.1902 442 G 3.4000 8.6999 108.9649 48.1874 0.0000 175.9283 443 E 3.9622 8.0523 120.2481 59.0989 29.5582 179.1745 444 E 3.8884 7.9752 118.1363 59.2059 29.6418 178.6163 445 F 3.8615 7.9325 120.7502 61.6653 39.1275 177.7449 446 V 3.0677 7.3044 111.2660 64.1398 31.1737 178.5370 447 C 4.0630 7.4872 116.2423 62.6528 28.0176 175.9271 448 L 3.8996 8.2525 120.8539 57.6952 41.0999 179.3531 449 K 3.7688 8.0102 119.8048 59.8551 31.9913 178.9675 450 S 4.2690 7.9163 115.0817 61.4075 62.5901 176.6804 451 I 3.6817 7.6623 122.6674 64.5022 36.7576 178.2172 452 I 3.6745 7.7859 120.5371 64.5265 36.7296 178.1889 453 L 4.0476 7.5271 119.5638 58.1154 42.0749 178.5375 454 L 4.3814 7.9112 116.9386 56.2411 41.9011 177.6087 455 N 4.7183 8.2156 115.6097 54.6003 39.6946 176.4099 456 S 4.3515 7.8535 116.0343 60.5359 63.3806 175.2468 457 G 3.7368 7.8732 109.1453 46.0500 0.0000 176.0011 458 V 3.5155 7.7515 119.9868 65.0717 31.4736 177.1451 459 Y 4.6151 8.1703 114.9390 58.3147 37.5980 175.2509 460 T 4.7890 7.5422 112.6045 61.7747 69.2749 174.9530 461 F 4.7872 7.2968 125.4377 56.7513 38.1652 178.5357 *469 L 4.0756 8.4048 125.5698 56.0671 40.6119 175.4823 470 E 4.4733 7.6086 123.8896 55.9834 30.4485 179.2098 471 E 4.0753 7.9480 121.5589 60.1988 30.1034 177.2169 472 K 4.0350 7.8924 118.2601 59.1840 32.1309 178.6033 473 D 4.4075 7.9392 118.2172 57.5157 41.2824 177.5244 474 H 4.1319 7.7397 116.2841 59.3893 29.8820 177.3161 475 I 3.7650 7.5627 121.1539 64.6844 36.8469 178.0899 476 H 4.4250 8.1025 116.7767 58.4618 28.4895 178.0310 477 R 3.9364 8.0578 120.4338 59.2046 29.8379 179.4527 478 V 3.5753 7.6696 118.8512 64.6163 31.3897 178.0938 479 L 3.9732 7.9812 119.7371 58.0020 41.4651 179.4205 480 D 4.3703 8.3056 118.4909 57.2460 40.7854 178.7741 481 K 3.9525 8.2548 120.2874 59.4328 32.2772 178.7604 482 I 3.9203 8.0950 120.2020 63.7388 36.9645 178.5478 483 T 3.8594 7.7968 117.1408 66.7129 68.3154 176.1085 484 D 4.4266 8.3162 121.2041 58.0547 40.9048 179.4771 485 T 3.8573 7.8092 115.5709 66.7110 68.5306 176.6622 486 L 3.9889 7.7024 120.2590 57.8027 41.6643 179.6109 487 I 3.6823 7.9798 119.8877 64.6322 37.0553 177.7104 488 H 4.0751 8.5285 119.3531 59.4280 29.7370 177.1135 489 L 3.9547 7.9328 120.4725 58.2326 41.5160 179.5538 490 M 4.0711 8.0519 118.2253 57.9718 31.8648 178.3993 491 A 4.1875 8.7109 123.0197 54.3844 18.4279 179.3301 492 K 4.1815 7.6918 113.2937 57.9566 33.1886 177.9710 493 A 4.2817 7.5759 121.1446 52.8811 18.6031 178.0572 494 G 3.8886 7.7817 105.7225 45.0946 0.0000 173.9108 495 L 4.1722 7.4302 119.0969 54.1316 42.4289 177.7218 496 T 4.0783 8.1770 116.0214 61.4097 69.3126 174.9467 497 L 3.8277 8.4640 126.5248 58.6190 41.9659 179.2337 498 Q 3.9194 7.9480 118.5930 59.3176 29.1582 177.9999 499 Q 4.0948 7.9061 118.2829 58.5968 28.6506 178.5385 500 Q 4.0157 8.0553 119.7216 59.0121 28.6861 178.1582 501 H 4.3812 7.7544 117.3844 58.9250 28.8026 177.8518 502 Q 3.9903 8.0421 119.7885 58.9713 28.5334 178.8701 503 R 3.8513 7.7832 119.0814 59.3459 30.1583 178.0038 504 L 3.9243 7.9637 119.8744 58.3415 42.0114 178.9021 505 A 4.0104 8.2749 120.6060 55.2870 18.1016 179.5629 506 Q 3.9928 8.3473 115.8630 59.0271 29.1632 178.9572 507 L 4.2015 8.3203 120.2475 58.0337 41.8867 179.7080 508 L 4.1097 7.9467 118.5682 57.5890 41.5455 179.6254 509 L 4.1869 8.2002 119.2653 57.5868 41.4225 179.4085 510 I 3.8505 7.7319 119.8605 64.3068 37.0111 178.2630 511 L 4.0115 7.7004 118.4572 57.6875 41.4394 179.6145 512 S 4.0494 7.9173 113.2295 61.7380 62.2570 175.9395 513 H 4.2271 8.0612 118.4227 58.7913 28.6384 177.7208 514 I 3.6972 8.0090 121.9316 64.0549 36.7709 178.4405 515 R 3.9564 8.0729 119.9954 59.4708 29.8245 178.0500 516 H 4.0561 7.9949 117.5801 59.5525 29.8987 177.0276 517 M 3.9753 8.2688 120.7577 58.5665 31.7383 178.7824 518 S 3.9153 7.8923 112.7851 61.2024 62.6449 175.7670 519 N 4.2417 8.2179 119.2875 56.3314 38.3685 177.2711 520 K 3.9457 8.1114 119.8692 59.5070 32.1961 179.5953 521 G 3.5284 8.4980 105.9824 47.9610 0.0000 174.9683 522 M 3.9593 8.3861 121.6805 58.7442 32.0450 178.2775 523 E 4.0501 8.0932 117.9270 59.5506 29.5019 178.8131 524 H 4.1364 8.1979 118.4029 59.0697 29.9411 177.1110 525 L 3.9427 8.1572 122.0839 58.3760 41.7998 178.1013 526 Y 4.0585 7.9365 118.0523 60.7727 38.7300 177.7639 527 S 4.2513 8.2779 112.9923 61.9671 62.9616 175.8599 528 M 4.1849 8.3067 121.7496 57.8359 31.5871 177.9988 529 K 4.3296 7.8713 118.1896 57.3291 33.1771 178.5770 *531 K 4.2313 8.0393 121.3692 55.6904 33.9239 174.4266 532 N 4.1854 8.2614 116.2601 54.7584 37.8714 175.4247 533 V 3.8790 7.6847 117.5438 63.6539 32.2992 177.0393 534 V 4.4481 7.2102 117.3691 58.8869 34.1818 172.6381 535 P 4.4392 0.0000 0.0000 62.0392 31.6382 176.2895 536 L 4.3432 8.2543 123.7343 53.4758 42.9583 176.6297 537 S 4.3371 8.3379 115.7141 58.6974 63.2486 174.6050 538 D 4.5102 8.4099 118.4527 55.9954 40.5136 178.8418 539 L 3.9362 7.7085 121.1243 57.8826 42.2295 178.1891 540 L 3.6433 7.7967 119.2300 57.8914 41.7795 179.7408 541 L 4.0346 7.7436 118.4116 58.2490 40.3133 179.2267 542 E 3.9277 7.6000 118.6736 59.7517 29.3953 178.7798 543 M 3.8698 7.7601 117.4496 58.1623 31.9429 178.4183 544 L 4.4080 8.0814 120.6508 58.3087 42.3021 178.5813 545 D 4.6972 8.1779 117.5188 56.5863 40.5114 178.3696 546 A 4.0818 7.8622 121.1285 55.3282 18.4155 178.7537 547 H 4.4179 8.2785 113.0506 56.4447 29.0488 175.7449 548 R 4.1680 7.2276 121.8787 56.0930 30.3231 173.9866 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 305 S 8.32 4.49 0.00 3.86 3.90 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 0.00 306 L 7.97 4.53 0.00 1.92 1.81 0.92 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 307 A 8.99 4.01 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 4.09 0.00 1.65 1.74 0.87 0.83 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 0.00 309 S 7.52 4.71 0.00 3.79 3.96 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 0.00 310 L 7.58 4.77 0.00 1.64 1.54 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 311 T 8.28 4.21 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 312 A 8.56 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 313 D 7.85 4.76 0.00 2.93 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 0.00 314 Q 7.61 4.28 0.00 2.35 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.72 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.28 0.00 315 M 8.15 4.01 0.00 1.99 2.34 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.66 0.00 316 V 7.49 3.55 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 1.01 0.00 0.00 0.93 0.00 0.00 317 S 7.67 4.07 0.00 4.13 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 0.00 318 A 7.55 4.03 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 319 L 7.93 4.07 0.00 1.86 1.72 0.87 0.56 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 0.00 320 L 8.33 4.03 0.00 1.82 1.76 0.94 1.09 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 0.00 321 D 8.28 4.36 0.00 2.82 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 0.00 322 A 8.13 4.24 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 0.00 323 E 7.24 3.74 0.00 2.28 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 2.42 2.52 0.00 324 P 0.00 4.61 0.00 2.14 2.08 0.00 3.60 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.59 0.00 325 P 0.00 4.55 0.00 2.16 2.12 0.00 3.62 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 326 I 7.98 4.31 1.79 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 1.38 0.61 0.72 0.00 0.00 327 L 8.18 4.61 0.00 1.65 1.64 1.01 0.87 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 0.00 328 Y 8.34 4.47 0.00 3.01 2.94 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 0.00 329 S 7.95 4.71 0.00 4.25 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 0.00 330 E 8.52 4.52 0.00 2.14 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 2.30 2.28 0.00 331 Y 7.93 4.18 0.00 3.05 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 0.00 332 D 8.59 4.24 0.00 2.71 2.47 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 0.00 333 P 0.00 3.51 0.00 2.01 1.71 0.00 3.09 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 334 T 7.30 4.08 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 335 R 7.56 4.44 0.00 1.85 1.86 0.00 3.51 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.63 0.00 336 P 0.00 4.30 0.00 2.19 2.11 0.00 3.68 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 337 F 8.33 4.96 0.00 3.05 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 0.00 338 S 9.15 4.87 0.00 3.97 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 0.00 339 E 8.59 3.85 0.00 2.04 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 2.35 2.34 0.00 340 A 7.96 4.07 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 341 S 7.90 4.15 0.00 4.22 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 0.00 342 M 8.49 3.77 0.00 1.89 2.27 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 343 M 8.37 3.98 0.00 2.04 2.14 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 2.61 2.84 0.00 344 G 7.91 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 0.00 0.00 0.00 345 L 8.25 4.22 0.00 1.88 1.76 1.23 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 346 L 8.30 3.99 0.00 1.53 1.55 0.50 -0.42 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 0.00 347 T 8.73 4.01 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 1.29 0.00 0.00 348 N 8.41 4.25 0.00 2.88 3.17 0.00 0.00 6.85 7.39 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 0.00 349 L 7.92 3.95 0.00 1.97 1.87 0.99 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 350 A 8.05 4.11 1.55 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 0.00 0.00 0.00 0.00 0.00 0.00 351 D 8.21 4.29 0.00 2.72 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 0.00 352 R 8.02 4.14 0.00 2.00 2.04 0.00 3.24 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 353 E 8.76 4.12 0.00 2.24 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 2.38 2.64 0.00 354 L 8.03 4.08 0.00 1.98 1.70 1.18 0.34 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 0.00 355 V 7.45 3.63 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 1.00 0.00 0.00 0.98 0.00 0.00 356 H 8.18 4.31 0.00 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0.00 0.00 0.00 0.00 0.00 1.37 1.87 0.00 407 N 8.23 4.97 0.00 3.07 3.23 0.00 0.00 5.72 7.79 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 0.00 408 L 8.80 4.62 0.00 1.77 1.63 0.64 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 409 L 8.39 4.70 0.00 1.67 1.61 0.76 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 410 L 9.25 4.72 0.00 1.98 1.98 0.78 0.12 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 0.00 411 D 8.77 4.84 0.00 2.76 2.58 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 0.00 412 R 8.14 4.28 0.00 2.38 2.29 0.00 2.89 0.00 0.00 3.11 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 413 N 8.19 4.33 0.00 3.03 2.83 0.00 0.00 7.11 6.90 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 0.00 414 Q 7.98 4.16 0.00 2.25 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.45 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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 1.58 0.51 0.95 0.00 0.00 425 F 8.42 4.10 0.00 3.16 3.12 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 0.00 426 D 8.18 4.42 0.00 2.96 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 0.00 427 M 8.01 4.01 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.59 0.00 428 L 7.97 3.84 0.00 1.63 1.46 0.82 0.38 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 0.00 429 L 8.39 3.82 0.00 1.76 1.66 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 430 A 8.08 3.95 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 0.00 431 T 7.88 3.51 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 0.66 0.00 0.00 432 S 7.70 3.88 0.00 3.84 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 0.00 433 S 8.31 4.11 0.00 3.94 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 0.00 434 R 8.25 3.85 0.00 1.87 1.96 0.00 3.16 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 435 F 8.33 4.55 0.00 3.19 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 0.00 436 R 7.96 3.87 0.00 2.06 2.04 0.00 3.09 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 437 M 8.08 3.99 0.00 2.01 2.29 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 2.65 2.76 0.00 438 M 8.26 4.19 0.00 2.04 2.32 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.58 0.00 439 N 8.11 4.13 0.00 2.84 2.86 0.00 0.00 7.07 7.06 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 0.00 440 L 8.08 3.97 0.00 1.47 1.58 0.72 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 441 Q 8.63 4.90 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 442 G 8.70 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 0.00 443 E 8.05 3.96 0.00 2.05 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 2.40 2.46 0.00 444 E 7.98 3.89 0.00 2.07 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 2.37 2.33 0.00 445 F 7.93 3.86 0.00 2.34 2.48 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 0.00 446 V 7.30 3.07 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 0.90 0.00 0.00 0.91 0.00 0.00 447 C 7.49 4.06 0.00 3.14 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 0.00 448 L 8.25 3.90 0.00 1.70 1.68 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 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 0.00 506 Q 8.35 3.99 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 507 L 8.32 4.20 0.00 1.83 1.73 0.90 0.50 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 0.00 508 L 7.95 4.11 0.00 1.73 1.73 0.94 0.69 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 0.00 509 L 8.20 4.19 0.00 1.97 1.77 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 510 I 7.73 3.85 2.28 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.90 1.07 0.00 0.00 511 L 7.70 4.01 0.00 1.92 1.74 0.93 0.79 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 0.00 512 S 7.92 4.05 0.00 3.88 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 0.00 513 H 8.06 4.23 0.00 3.36 3.31 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 514 I 8.01 3.70 2.01 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.32 0.89 0.00 0.00 515 R 8.07 3.96 0.00 1.98 2.09 0.00 3.10 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 516 H 7.99 4.06 0.00 3.27 3.50 0.00 5.85 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 8.27 3.98 0.00 2.03 2.18 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 2.80 2.55 0.00 518 S 7.89 3.92 0.00 3.76 3.96 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 0.00 519 N 8.22 4.24 0.00 2.85 2.78 0.00 0.00 7.03 7.01 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 0.00 520 K 8.11 3.95 0.00 1.99 1.82 0.00 1.46 0.00 0.00 1.39 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.47 7.81 521 G 8.50 3.53 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 0.00 0.00 0.00 522 M 8.39 3.96 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.46 0.00 523 E 8.09 4.05 0.00 2.26 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 2.41 2.44 0.00 524 H 8.20 4.14 0.00 3.30 3.55 0.00 5.78 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 0.00 525 L 8.16 3.94 0.00 2.13 1.83 1.23 0.78 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 0.00 526 Y 7.94 4.06 0.00 3.04 3.16 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 0.00 0.00 0.00 0.00 527 S 8.28 4.25 0.00 4.02 4.03 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 0.00 0.00 0.00 0.00 528 M 8.31 4.18 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.58 0.00 529 K 7.87 4.33 0.00 1.93 2.08 0.00 1.27 0.00 0.00 1.52 0.00 0.00 2.61 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.21 1.26 7.81 *531 K 8.04 4.23 0.00 1.70 2.11 0.00 1.79 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.46 7.81 532 N 8.26 4.19 0.00 2.74 2.78 0.00 0.00 7.19 7.58 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 0.00 533 V 7.68 3.88 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 0.81 0.00 0.00 0.95 0.00 0.00 534 V 7.21 4.45 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 0.77 0.00 0.00 1.00 0.00 0.00 535 P 0.00 4.44 0.00 2.06 2.03 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 536 L 8.25 4.34 0.00 1.63 1.59 0.94 0.98 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 0.00 537 S 8.34 4.34 0.00 3.98 4.03 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 0.00 0.00 0.00 0.00 538 D 8.41 4.51 0.00 2.69 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 539 L 7.71 3.94 0.00 1.65 1.53 0.86 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 540 L 7.80 3.64 0.00 1.81 1.68 0.97 0.35 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 0.00 541 L 7.74 4.03 0.00 1.94 2.07 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 542 E 7.60 3.93 0.00 2.16 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 2.31 2.54 0.00 543 M 7.76 3.87 0.00 0.51 1.04 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.41 0.00 544 L 8.08 4.41 0.00 1.98 1.75 1.17 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 545 D 8.18 4.70 0.00 2.85 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 0.00 546 A 7.86 4.08 1.47 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 0.00 0.00 0.00 547 H 8.28 4.42 0.00 3.33 3.42 0.00 5.94 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 548 R 7.23 4.17 0.00 1.91 2.02 0.00 2.87 0.00 0.00 3.10 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.22 0.00 * Residues marked with a * may have inaccurate shift predictions.