NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 305 S 4.3972 8.2929 115.4154 58.4259 65.2744 175.9229 306 L 3.7321 7.9722 124.7210 59.0313 40.3306 179.3854 307 A 4.2384 8.8485 122.5177 54.9691 18.5394 178.8910 308 L 4.1330 7.6229 115.6368 56.5945 41.9202 178.5505 309 S 4.5149 7.7259 112.6518 57.9334 63.8195 174.5181 310 L 4.2829 6.8902 122.9819 55.0639 42.1250 177.2066 311 T 4.3536 8.9144 112.4698 60.3672 71.8780 175.5433 312 A 3.9546 8.3145 121.7027 55.6993 18.0889 179.4857 313 D 4.3537 7.8937 116.6443 57.4876 41.0729 178.8715 314 Q 3.9854 8.0530 118.6012 58.8621 28.5620 178.4213 315 M 3.9537 8.0372 119.3600 58.6560 32.2981 178.4696 316 V 3.5443 7.5731 117.8690 66.0703 31.7443 177.8836 317 S 4.0882 8.3181 112.7659 61.2249 62.0784 175.8769 318 A 3.9884 8.4962 123.8653 55.3239 17.9208 179.6804 319 L 4.0248 7.9086 116.4573 57.7830 41.9381 179.5434 320 L 4.1729 8.3923 119.4322 58.0118 41.4263 179.0305 321 D 4.4467 7.8903 117.2336 57.2939 40.8519 178.2136 322 A 4.3984 7.5736 118.7274 51.7487 19.3152 177.4743 323 E 3.9306 7.6871 117.3696 56.1525 30.1012 175.7228 324 P 4.5164 0.0000 0.0000 61.4090 32.1241 174.3878 325 P 4.4795 0.0000 0.0000 62.5833 32.0189 175.7752 326 I 4.1164 8.0468 120.0332 60.3689 37.5712 176.1697 327 L 4.5864 8.2668 125.4252 54.0712 42.8895 175.8095 328 Y 4.3435 8.4123 118.1380 56.6474 39.2294 175.7046 329 S 4.2740 8.6824 119.0134 58.4098 63.2173 175.1778 330 E 4.4661 8.2283 131.2128 53.8613 27.4357 174.2850 *331 Y 4.2486 7.1099 128.5058 58.3438 43.1434 176.1651 *341 S 4.5414 7.3064 112.9778 58.3406 65.7501 175.6984 342 M 3.8370 8.2224 119.8515 59.1429 31.7418 178.0759 343 M 4.2192 8.1811 117.8787 58.1368 32.0786 178.8943 344 G 3.6151 8.2519 106.3792 47.8922 0.0000 175.8613 345 L 4.0461 7.6869 121.4195 57.2733 41.6607 179.4077 346 L 4.0013 7.9385 118.9885 58.0107 41.5349 179.6809 347 T 3.9036 8.0413 115.6687 66.6200 67.9419 176.1078 348 N 4.2860 8.2282 118.8811 56.5809 38.9033 176.6607 349 L 3.9907 8.1605 121.3810 58.2635 42.2484 178.7081 350 A 4.1238 8.7595 121.4292 55.3306 16.8100 179.1986 351 D 4.3202 8.2012 117.3892 57.7798 40.6340 179.3787 352 R 4.2576 7.8024 117.2830 59.1468 30.0677 178.9060 353 E 4.1472 8.6366 118.9816 59.1691 29.3692 179.0764 354 L 4.0195 8.2691 120.7637 58.0273 41.6067 178.9381 355 V 3.5896 7.2772 116.3627 66.7070 31.3588 177.8478 356 H 4.3314 7.8332 115.5960 58.9034 28.4433 177.5191 357 M 4.2485 8.3702 120.3078 58.8705 32.2054 178.3566 358 I 3.6921 8.1309 120.0302 64.4075 37.0051 177.9765 359 N 4.5271 7.7263 115.4375 55.2376 38.7849 177.1129 360 W 4.2702 8.8703 130.3707 60.2614 30.8013 177.6880 361 A 2.6251 8.4961 121.1084 54.8363 17.5475 179.7559 362 K 4.0537 7.5881 114.7199 58.9283 32.1668 178.6578 363 R 4.3828 7.3419 116.3846 55.1308 30.8873 176.5965 364 V 3.4266 6.8373 120.8177 61.5498 31.7497 173.5196 365 P 4.4372 0.0000 0.0000 64.3565 31.9362 174.8409 366 G 4.2242 9.0544 109.8731 45.9347 0.0000 175.4186 367 F 4.1232 8.3818 121.6702 61.0630 39.4645 177.3018 368 V 3.7430 7.7251 111.9013 63.2887 31.7010 176.9410 369 D 4.3957 7.6807 118.6091 56.2442 40.7776 176.8031 370 L 4.4838 7.0996 119.1743 53.9057 42.4781 177.3947 371 T 4.0878 8.8633 114.2205 62.2366 70.6634 176.3711 *372 R 3.9146 8.4210 123.7511 62.0277 29.2312 179.6852 373 H 4.4154 8.0813 117.7742 59.2090 29.9123 177.0849 374 D 3.9099 7.6416 120.9651 57.0887 40.6573 178.4562 375 Q 3.5964 7.9399 118.7389 59.0890 28.6509 179.4487 376 V 3.6019 7.6560 119.0032 66.1260 31.4387 177.6230 377 H 4.3663 8.0169 118.2747 59.0926 29.7701 177.1456 378 L 4.1401 8.2520 120.8852 58.1111 41.6024 179.6461 379 L 4.2137 8.2788 118.7930 57.6505 41.2911 179.2341 380 E 4.0916 8.2391 118.8083 59.6479 29.7233 178.4285 381 C 4.3814 8.3326 115.5265 62.1623 28.5183 175.0984 382 A 4.4655 8.3614 121.5763 52.6610 19.0073 178.9550 383 W 4.4303 8.2298 116.1623 60.1826 27.8665 178.3496 384 L 3.1729 6.4006 120.6477 57.1354 41.3574 178.4948 385 E 3.9530 7.8069 118.0873 59.0989 29.3584 179.2961 386 I 3.6777 7.7492 120.1265 64.1264 37.2562 177.9413 387 L 3.9356 7.7725 119.8261 58.4387 41.5567 179.5025 388 M 3.9566 8.2893 118.5121 58.6011 31.9308 178.8419 389 I 3.9337 8.1742 119.0234 63.8667 38.0830 178.1691 390 G 3.7700 8.2305 106.9556 47.5654 0.0000 175.4406 391 L 3.7934 7.9207 122.6611 57.9449 41.8827 179.3164 392 V 3.3985 7.5110 116.9021 65.6332 31.5813 177.4559 393 W 4.4333 8.4482 128.1903 60.6118 30.2295 178.2337 394 R 3.6632 7.9205 117.2171 58.6674 29.7947 178.2303 395 S 4.4480 7.6676 112.7001 58.6696 62.8755 175.5233 396 M 4.2450 7.4965 123.7608 57.5168 31.9041 176.3547 397 E 4.3503 7.4314 113.6672 56.3822 30.4005 176.4419 398 H 4.8104 8.2160 117.4053 53.4307 29.1252 170.1657 399 P 4.4616 0.0000 0.0000 63.7780 32.1491 177.2926 400 G 4.0622 9.7508 111.1773 45.0835 0.0000 172.8099 401 K 5.0026 7.7670 117.6264 54.6554 36.2425 175.6211 402 L 4.2322 9.0182 122.5997 53.0671 42.5018 176.3668 403 L 4.4445 8.1596 128.3258 53.3111 40.5360 175.9664 404 F 4.0872 8.3053 121.2020 59.5215 39.4863 175.2600 405 A 4.5894 7.9681 120.9745 49.8145 22.2696 175.0558 406 P 4.0542 0.0000 0.0000 64.9818 31.2857 177.4202 407 N 4.9911 7.6376 113.6063 52.1121 37.9454 175.5833 408 L 4.5967 8.0256 121.5830 54.6022 43.8112 171.8648 409 L 4.7121 8.1369 121.6769 53.0369 43.6639 174.8206 410 L 5.1604 9.4759 127.4280 53.3504 43.1013 176.0031 411 D 5.3972 9.3352 121.8562 50.7485 42.1055 177.3495 412 R 3.6375 8.5402 118.1708 59.2051 30.2385 178.1255 413 N 4.3569 7.4735 114.5628 55.8354 38.7336 176.5046 414 Q 3.9347 8.5853 116.4679 57.5908 28.8758 176.5642 415 G 3.1568 7.1918 109.7260 45.0862 0.0000 174.0782 *419 E 4.3599 8.7071 123.5414 55.0175 31.0679 177.1958 420 G 3.9587 9.0025 113.8233 47.5626 0.0000 173.0968 421 M 3.6067 8.5700 114.2541 56.0968 30.2093 178.7973 422 V 3.8278 7.2735 119.0968 66.2017 31.6900 177.0008 423 E 3.9890 8.0510 118.3090 59.6861 29.5435 178.9798 424 I 3.7333 7.7060 119.3641 64.0937 37.1381 177.8533 425 F 3.8380 8.2246 121.5689 61.5308 39.1278 176.7956 426 D 4.4818 8.3318 118.1237 57.8625 40.6490 178.7911 427 M 4.0927 8.1479 118.8792 58.3585 31.9298 178.6154 428 L 3.8091 8.2948 119.3146 57.9298 41.8509 179.3705 429 L 3.8536 8.0743 118.6796 58.1060 41.6351 179.7048 430 A 3.9985 8.2892 120.6968 55.2646 18.2479 179.9417 431 T 3.6425 7.9978 114.4395 66.6912 68.5217 176.6680 432 S 3.8227 7.8390 115.1105 61.6775 62.3248 176.3693 433 S 4.1334 8.1108 115.4724 60.9957 61.8270 176.0938 434 R 3.9013 7.7599 120.9865 59.3401 30.1640 177.9438 435 F 4.6581 8.6278 118.0559 60.9188 38.9841 177.5260 436 R 3.9107 8.4430 118.5117 59.8125 29.7123 178.3783 437 M 4.2340 8.0838 114.5999 57.7720 31.3303 177.2989 438 M 4.2984 7.8847 118.0549 54.4830 32.7247 175.3986 439 N 4.1883 8.0528 115.6208 53.2454 37.0693 174.3313 440 L 4.0390 8.1438 117.9866 56.0492 42.7671 176.4709 441 Q 4.8737 9.2750 125.0338 54.2115 31.9539 177.0013 442 G 3.5043 8.9636 109.8647 48.3992 0.0000 175.8372 443 E 4.0183 8.0559 119.9336 59.0163 29.6414 179.0733 444 E 3.9591 7.8857 118.3433 59.0817 29.6342 178.5930 445 F 3.8269 8.4161 121.0745 61.6085 39.3906 177.8111 446 V 3.0235 7.3925 111.2450 64.0444 31.2366 178.4649 447 C 4.1269 7.4902 115.5558 62.5796 27.9332 176.0620 448 L 3.9233 7.6228 120.5778 57.3835 41.3309 179.0798 449 K 3.6604 7.4584 119.6121 59.9049 31.9560 178.8469 450 S 4.2766 7.9740 114.6747 61.7113 62.6877 176.7459 451 I 3.7232 7.7722 122.4701 64.5326 36.8121 178.5632 452 I 3.7965 7.8008 120.6234 64.1016 36.6830 178.1077 453 L 4.0354 7.6463 120.0121 58.2211 42.0044 178.5596 454 L 4.3390 7.5908 116.6567 56.6061 41.6437 177.9469 455 N 4.4947 8.6107 116.6930 55.3531 38.8715 176.8902 456 S 4.5631 7.9803 115.3485 59.9828 63.1885 174.9282 457 G 4.1448 7.3670 105.6352 44.9781 0.0000 175.1501 458 V 2.6813 7.4456 119.7340 63.6575 31.7081 176.8841 459 Y 4.2142 7.6233 116.7148 59.2916 38.5535 175.4893 460 T 4.8616 7.3162 110.5639 60.8607 69.6135 174.2350 461 F 5.1329 7.7190 135.0000 59.1623 38.5656 178.5415 *467 K 4.3929 8.7304 126.5614 55.6740 33.7796 176.2920 468 S 4.3957 7.9032 113.4996 60.9756 62.1854 176.1678 469 L 4.0551 7.8674 121.5783 57.6463 41.5654 178.7164 470 E 3.9842 8.0760 118.8397 59.2487 29.6386 178.5639 471 E 4.0987 8.9001 121.6247 59.9102 29.5667 180.1220 472 K 3.9308 8.1615 123.6656 59.8368 31.8192 180.6514 473 D 4.6297 8.1212 120.5251 57.5654 40.7989 178.5773 474 H 4.1999 8.2028 118.4723 59.2117 29.8104 177.2522 475 I 3.5637 7.7869 121.5850 64.8208 36.8664 178.1094 476 H 4.1464 8.0531 116.8027 58.9866 28.6453 178.0767 477 R 3.8975 8.5341 120.2117 59.1440 29.7734 179.3770 478 V 3.5674 7.5754 118.0577 65.8259 31.5893 177.8997 479 L 3.9554 8.0352 118.8963 58.1670 41.4391 179.3555 480 D 4.3791 8.3989 118.8679 57.2503 40.7385 178.7724 481 K 3.9931 7.9320 119.5480 59.2117 32.1193 178.9024 482 I 3.8697 7.9057 120.3291 63.9950 36.9591 178.4657 483 T 3.8402 7.8632 116.9213 66.8158 68.2803 176.1739 484 D 4.4027 8.1919 120.7592 57.8358 40.7518 179.2683 485 T 3.8560 7.8855 115.8877 66.6179 68.6055 176.5437 486 L 3.9575 8.0003 120.7279 57.9892 41.6339 179.6127 487 I 3.6951 7.8588 119.6205 64.6447 37.0568 177.8500 488 H 4.0858 8.5050 119.1748 59.4612 29.4882 177.2371 489 L 3.9999 8.0011 119.4980 57.9649 41.6766 179.2137 490 M 4.1773 7.9086 118.1837 58.1363 31.9494 178.4700 491 A 4.0562 8.4451 123.7711 55.7529 18.2680 180.3455 492 K 3.9669 7.9198 120.8568 59.0658 31.9671 181.1694 493 A 4.4695 7.5954 117.8901 52.8381 18.7401 178.0486 494 G 4.0245 7.5137 104.8165 44.8207 0.0000 174.5312 495 L 4.2586 7.5690 119.6394 54.5788 42.4300 177.6714 496 T 4.1345 8.4313 112.4075 61.2792 70.7674 175.6478 497 L 3.8789 8.5270 122.5750 58.4215 41.6737 179.8378 498 Q 3.6322 7.9309 118.5236 59.3399 29.1490 178.2063 499 Q 4.0056 7.7935 118.5240 58.6425 28.5658 178.5404 500 Q 3.9848 8.3605 120.0076 59.4178 28.8542 178.8147 501 H 4.2769 7.8540 115.6695 58.7104 28.5986 177.5860 502 Q 4.0368 8.0982 120.9248 58.6884 28.4456 178.6746 503 R 4.4414 8.1088 121.1726 58.6597 30.2517 177.9533 504 L 3.9015 8.2634 120.3586 58.4230 41.9827 178.9955 505 A 4.0422 8.0639 120.4479 55.1985 18.1777 179.6811 506 Q 3.9953 8.1159 116.6798 58.8818 28.5303 178.7715 507 L 4.0361 7.8768 119.1678 58.0928 42.0999 179.4137 508 L 4.1777 7.9023 118.5394 57.7447 41.5281 179.6272 509 L 4.0557 8.1559 119.0708 57.7637 41.5261 179.3521 510 I 3.7908 7.6869 119.9393 64.5778 36.9797 178.2206 511 L 4.0879 7.9239 119.5769 57.9672 41.3498 179.7719 512 S 4.1407 8.1106 115.2522 61.7640 62.6314 176.1581 513 H 4.2246 8.2915 121.0315 59.1842 29.6005 177.4669 514 I 3.5767 7.6853 121.2083 64.2072 36.9556 177.8577 515 R 3.9103 8.0648 119.7113 59.9132 29.7238 177.5378 516 H 3.9808 8.2644 117.5903 59.7777 29.7315 176.6941 517 M 3.8849 8.1452 120.3610 58.4971 31.7596 178.5941 518 S 3.9007 8.3529 113.2462 61.5688 62.4683 175.8344 519 N 4.1878 8.2769 119.1975 56.3498 38.2680 177.3427 520 K 4.0675 8.1896 120.0241 59.4511 32.1096 179.1861 521 G 3.7267 8.1769 106.0176 48.3275 0.0000 175.2846 522 M 4.0770 8.0895 121.7922 57.8529 31.9956 178.1983 523 E 3.7798 8.1739 119.4577 59.9440 29.7909 178.6247 524 H 4.2541 8.5969 118.2378 59.0084 29.7888 177.1854 525 L 4.0834 8.2141 121.0435 58.2603 41.3030 179.1439 526 Y 4.0843 8.6499 116.8190 60.6491 37.5837 178.0359 527 S 4.5557 7.8822 112.2835 59.4241 63.7833 175.0924 528 M 4.2684 7.5826 120.9831 54.4149 32.0382 175.8549 529 K 3.8354 7.3029 118.6153 57.6605 31.5806 174.9166 530 C 4.6787 8.2385 113.1190 59.0682 28.3261 175.8501 531 K 3.6676 8.1273 123.1303 59.6153 31.5971 178.6155 532 N 4.3979 7.9459 114.4833 55.0979 37.4293 175.9285 533 V 3.7869 7.5681 117.3865 63.7071 31.8971 176.1384 534 V 3.5600 7.2567 119.4054 62.4693 31.9528 173.6258 535 P 4.1722 0.0000 0.0000 62.0697 31.7628 177.1849 536 S 4.5352 8.3007 118.4924 57.3889 65.6118 174.3478 537 Y 4.0848 8.6342 122.8238 61.2795 38.3391 178.3560 538 D 4.2809 8.2589 118.8494 57.2285 41.2059 177.9768 539 L 3.8594 7.9639 121.1233 58.5591 42.0064 179.2668 540 L 3.9429 8.0473 118.6840 57.6460 41.6370 179.2866 541 L 3.8286 7.7984 120.3961 57.9432 41.9246 178.9723 542 E 3.9737 8.2720 118.7563 59.5175 29.2377 179.0600 543 M 4.0696 7.6824 117.4526 58.2671 32.0675 178.5251 544 L 4.1543 7.7475 118.0369 58.0776 41.9430 179.0921 545 D 4.4550 7.8235 116.6066 57.3889 40.7697 177.6701 546 A 3.5873 8.0325 118.5021 57.8275 18.2270 177.7310 *547 H 4.3463 8.2178 118.2024 53.8190 28.1944 177.7658 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 8.29 4.40 0.00 4.02 4.18 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 0.00 0.00 0.00 0.00 306 L 7.97 3.73 0.00 1.75 1.75 0.92 0.44 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 0.00 307 A 8.85 4.24 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 7.62 4.13 0.00 1.79 1.74 0.96 0.83 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 0.00 309 S 7.73 4.51 0.00 4.03 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 0.00 310 L 6.89 4.28 0.00 1.59 1.63 0.91 0.99 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 0.00 311 T 8.91 4.35 4.18 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 0.00 0.00 0.00 1.19 0.00 0.00 312 A 8.31 3.95 1.19 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 0.00 0.00 0.00 0.00 0.00 313 D 7.89 4.35 0.00 2.72 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 8.05 3.99 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 315 M 8.04 3.95 0.00 2.27 2.03 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.57 0.00 316 V 7.57 3.54 2.22 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 1.00 0.00 0.00 0.97 0.00 0.00 317 S 8.32 4.09 0.00 3.93 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 0.00 318 A 8.50 3.99 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 0.00 319 L 7.91 4.02 0.00 1.74 1.77 0.96 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 320 L 8.39 4.17 0.00 1.68 1.74 0.94 0.93 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 0.00 321 D 7.89 4.45 0.00 2.90 2.78 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 0.00 0.00 0.00 322 A 7.57 4.40 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.69 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 2.41 2.51 0.00 324 P 0.00 4.52 0.00 2.00 2.00 0.00 3.57 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.94 0.00 325 P 0.00 4.48 0.00 2.18 2.07 0.00 3.57 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 1.77 1.88 0.00 326 I 8.05 4.12 1.86 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 1.41 0.59 0.81 0.00 0.00 327 L 8.27 4.59 0.00 1.69 1.68 1.01 0.92 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 8.41 4.34 0.00 2.92 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 0.00 329 S 8.68 4.27 0.00 3.89 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 0.00 330 E 8.23 4.47 0.00 2.14 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 2.38 2.30 0.00 *331 Y 7.11 4.25 0.00 2.42 2.07 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 *341 S 7.31 4.54 0.00 4.01 4.18 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 0.00 0.00 0.00 0.00 342 M 8.22 3.84 0.00 2.13 2.09 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 2.60 2.71 0.00 343 M 8.18 4.22 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 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421 M 8.57 3.61 0.00 2.01 2.30 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.45 0.00 422 V 7.27 3.83 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 0.97 0.00 0.00 0.98 0.00 0.00 423 E 8.05 3.99 0.00 2.11 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 2.42 2.48 0.00 424 I 7.71 3.73 1.89 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.51 0.88 0.00 0.00 425 F 8.22 3.84 0.00 3.40 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 426 D 8.33 4.48 0.00 2.99 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 0.00 427 M 8.15 4.09 0.00 2.13 2.23 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 2.96 2.65 0.00 428 L 8.29 3.81 0.00 1.56 1.43 0.71 0.48 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 0.00 429 L 8.07 3.85 0.00 1.92 1.74 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.80 0.00 438 M 7.88 4.30 0.00 2.06 2.39 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 2.87 2.61 0.00 439 N 8.05 4.19 0.00 2.87 2.89 0.00 0.00 6.85 7.98 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 0.00 440 L 8.14 4.04 0.00 1.38 1.54 0.81 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 441 Q 9.27 4.87 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.48 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 442 G 8.96 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 443 E 8.06 4.02 0.00 2.05 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 2.40 2.45 0.00 444 E 7.89 3.96 0.00 2.12 1.90 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 2.36 2.33 0.00 445 F 8.42 3.83 0.00 2.01 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 0.00 0.00 0.00 0.00 446 V 7.39 3.02 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 0.88 0.00 0.00 0.94 0.00 0.00 447 C 7.49 4.13 0.00 3.16 2.91 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 0.00 448 L 7.62 3.92 0.00 1.70 1.66 0.87 0.64 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 0.00 449 K 7.46 3.66 0.00 1.15 1.69 0.00 1.03 0.00 0.00 1.07 0.00 0.00 2.25 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.79 1.15 7.81 450 S 7.97 4.28 0.00 4.08 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 0.00 451 I 7.77 3.72 2.03 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 1.51 0.81 0.92 0.00 0.00 452 I 7.80 3.80 2.13 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 1.31 0.94 0.00 0.00 453 L 7.65 4.04 0.00 1.82 1.90 0.85 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 468 S 7.90 4.40 0.00 3.87 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 0.00 469 L 7.87 4.06 0.00 1.75 1.72 0.94 0.89 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 0.00 470 E 8.08 3.98 0.00 2.04 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 0.00 2.37 2.40 0.00 471 E 8.90 4.10 0.00 2.31 2.17 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 2.55 2.47 0.00 472 K 8.16 3.93 0.00 1.79 1.82 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 473 D 8.12 4.63 0.00 2.89 2.78 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 0.00 0.00 0.00 474 H 8.20 4.20 0.00 3.27 3.53 0.00 5.79 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 0.00 475 I 7.79 3.56 1.82 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.22 0.00 0.00 484 D 8.19 4.40 0.00 2.82 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 0.00 485 T 7.89 3.86 4.39 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 1.24 0.00 0.00 486 L 8.00 3.96 0.00 1.84 1.71 0.90 0.61 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 0.00 487 I 7.86 3.70 2.01 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 1.55 0.97 0.97 0.00 0.00 488 H 8.51 4.09 0.00 3.26 3.47 0.00 5.60 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 0.00 489 L 8.00 4.00 0.00 1.81 1.71 0.90 1.26 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 0.00 490 M 7.91 4.18 0.00 2.08 2.18 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 2.76 2.53 0.00 491 A 8.45 4.06 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 501 H 7.85 4.28 0.00 3.29 3.57 0.00 5.27 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 0.00 502 Q 8.10 4.04 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.87 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 503 R 8.11 4.44 0.00 1.94 1.95 0.00 3.15 0.00 0.00 3.18 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.49 0.00 504 L 8.26 3.90 0.00 1.78 1.92 0.93 1.33 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 0.00 505 A 8.06 4.04 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 4.00 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 507 L 7.88 4.04 0.00 1.81 1.74 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 508 L 7.90 4.18 0.00 1.74 1.74 0.94 0.65 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 517 M 8.15 3.88 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 518 S 8.35 3.90 0.00 3.68 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 0.00 519 N 8.28 4.19 0.00 2.77 2.78 0.00 0.00 7.12 7.92 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 0.00 520 K 8.19 4.07 0.00 1.80 1.82 0.00 1.75 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.25 1.56 7.81 521 G 8.18 3.73 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 0.00 0.00 0.00 522 M 8.09 4.08 0.00 1.84 2.13 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.79 0.00 523 E 8.17 3.78 0.00 2.09 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 2.32 2.31 0.00 524 H 8.60 4.25 0.00 3.21 3.48 0.00 5.65 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 8.21 4.08 0.00 2.21 1.91 1.22 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 526 Y 8.65 4.08 0.00 3.09 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 0.00 527 S 7.88 4.56 0.00 4.04 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 7.58 4.27 0.00 2.01 2.30 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 2.46 2.58 0.00 529 K 7.30 3.84 0.00 1.86 1.85 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.36 7.81 530 C 8.24 4.68 0.00 3.19 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 0.00 531 K 8.13 3.67 0.00 1.59 1.37 0.00 1.43 0.00 0.00 1.28 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.04 1.26 7.81 532 N 7.95 4.40 0.00 2.81 2.92 0.00 0.00 5.98 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 0.00 533 V 7.57 3.79 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.01 0.00 0.00 534 V 7.26 3.56 2.21 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 0.93 0.00 0.00 1.29 0.00 0.00 535 P 0.00 4.17 0.00 1.72 1.65 0.00 2.38 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.12 0.00 536 S 8.30 4.54 0.00 4.09 3.99 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 0.00 0.00 0.00 537 Y 8.63 4.08 0.00 3.04 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 0.00 538 D 8.26 4.28 0.00 2.81 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 539 L 7.96 3.86 0.00 1.70 1.90 0.88 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 540 L 8.05 3.94 0.00 1.81 1.61 0.91 0.71 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 0.00 541 L 7.80 3.83 0.00 1.41 1.66 0.92 0.84 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 0.00 542 E 8.27 3.97 0.00 2.03 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 2.47 0.00 543 M 7.68 4.07 0.00 2.02 2.24 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 2.79 2.56 0.00 544 L 7.75 4.15 0.00 1.74 1.72 0.91 1.05 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 7.82 4.45 0.00 2.65 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 0.00 546 A 8.03 3.59 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 *547 H 8.22 4.35 0.00 2.94 2.85 0.00 7.24 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.