NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 303 K 4.2582 8.2993 119.9922 56.4794 34.1326 174.6346 304 N 4.8163 7.9101 116.3957 51.7392 40.6207 171.2805 305 S 4.5033 8.4072 111.8255 56.8288 65.6428 175.3667 306 L 4.0637 8.7016 128.6419 56.5050 41.9552 177.1715 307 A 4.2419 7.8842 120.9456 55.1880 18.8575 179.3450 308 L 4.3176 8.1144 114.4808 56.3784 41.9050 177.7259 309 S 4.7068 7.7379 112.7156 57.7834 63.8936 174.1224 310 L 4.1948 7.3793 120.1167 54.8839 41.7454 177.9116 311 T 4.2723 9.0299 113.8566 60.8715 71.6888 175.2980 312 A 3.9895 8.3486 121.7061 55.2765 18.2021 179.0007 313 D 4.3802 8.0329 115.8023 58.0265 41.0436 179.7318 314 Q 3.9940 8.1007 117.9614 58.7505 28.6843 178.4891 315 M 3.9554 8.0674 119.6127 58.5276 32.3126 178.4087 316 V 3.5474 7.6891 117.8582 66.1079 31.8771 177.8320 317 S 4.1057 8.2439 114.7237 61.8028 62.5268 176.7378 318 A 4.1023 7.7694 121.5935 54.6616 17.8365 179.2984 319 L 4.1590 7.8690 117.8198 57.7028 41.4062 179.4368 320 L 4.0904 8.1225 119.0936 57.8666 41.3690 179.0827 321 D 4.5012 7.9372 116.7127 56.3322 40.9655 177.7720 322 A 4.3339 7.4382 118.6549 51.8025 19.1079 177.4188 323 E 3.9841 7.3770 116.8319 56.3169 30.0811 175.7314 324 P 4.6254 0.0000 0.0000 61.3156 32.2859 174.3270 325 P 4.5692 0.0000 0.0000 62.2262 32.1865 176.0394 326 I 3.9126 8.1490 120.6716 61.1792 37.5909 175.9129 327 L 4.7992 8.2512 124.7424 53.4697 43.7960 175.3336 328 Y 4.5357 8.3488 117.6599 56.4339 39.9262 175.5203 329 S 4.6222 9.1293 117.8978 57.6595 63.3188 174.3167 330 E 4.3678 8.5984 125.7321 56.6190 29.6352 176.3514 331 Y 4.2707 7.4944 121.2582 58.3742 39.4584 173.9804 332 D 4.3456 8.4237 127.8679 52.1829 40.9226 173.7949 333 P 3.9754 0.0000 0.0000 63.3446 31.3473 176.5153 334 T 4.4088 6.9818 110.8890 61.8665 67.4815 173.4397 335 R 4.3328 7.3173 115.1646 54.3052 32.6987 172.6111 336 P 4.3772 0.0000 0.0000 62.4807 32.0052 175.9937 337 F 4.6861 8.4815 119.6375 57.5834 39.6508 175.8036 338 S 4.8195 9.2356 119.7842 55.3980 67.4822 174.6139 339 E 3.8034 8.8075 122.3048 59.6776 29.2181 178.7956 340 A 4.0102 8.0243 120.0235 55.4400 18.4780 179.6772 341 S 4.2778 8.1238 112.6344 61.6023 63.0059 176.4074 342 M 4.0295 8.6094 122.3225 58.7828 31.9507 177.9743 343 M 4.1045 8.1585 119.0063 58.2898 32.1049 178.9735 344 G 3.6385 8.4930 106.1072 47.9311 0.0000 175.7168 345 L 4.0845 8.0896 122.1313 57.3407 41.5508 179.7609 346 L 3.8991 8.2271 119.5465 57.9604 41.4984 179.6827 347 T 3.9588 8.3420 110.2255 64.4260 68.7317 176.2793 348 N 4.2474 8.2466 119.9464 56.6055 38.9761 176.5547 349 L 4.0017 8.1075 121.3951 58.1076 42.0712 178.7569 350 A 4.0707 8.3832 121.0220 55.2167 18.1149 179.0687 351 D 4.2001 8.1384 115.7194 57.5488 41.0703 178.3932 352 R 4.1780 7.9305 118.2073 59.0081 30.1492 178.5583 353 E 4.0443 8.4713 118.6042 59.4056 29.5593 179.1112 354 L 3.9946 8.1536 119.1672 58.1432 41.2313 179.6581 355 V 3.6100 7.4582 116.9092 66.7121 31.2982 177.8250 356 H 4.3388 8.2595 115.1205 58.7364 28.5594 177.1632 357 M 4.1326 8.3402 120.4848 58.7274 32.0694 178.4346 358 I 3.7925 7.8501 119.6215 64.4513 37.1164 177.8589 359 N 4.3122 7.6174 115.0670 56.2987 38.7293 176.7947 360 W 4.2934 8.6496 129.4407 60.5275 30.8134 177.7658 361 A 2.6056 8.3874 120.8935 54.5650 17.5113 179.3383 362 K 4.3256 7.7118 114.5557 58.0786 32.1811 178.4225 363 R 4.5037 7.5251 117.5183 54.5297 31.0915 175.7979 364 V 3.4978 6.7343 121.0837 61.0569 31.8241 173.3885 365 P 4.3085 0.0000 0.0000 64.9213 31.2372 176.5212 366 G 4.0487 9.0628 111.9930 45.2474 0.0000 175.0000 367 F 3.9982 8.4248 122.6630 61.1407 39.4449 177.3001 368 V 3.8457 7.7571 116.5548 62.9666 31.4873 176.4225 369 D 4.4339 7.4195 120.2082 56.3342 41.0555 176.9557 370 L 4.1228 7.3159 118.8138 54.1751 42.3693 177.3352 371 T 4.0380 7.9704 114.6985 61.4801 69.3084 175.1879 372 L 3.8975 8.4424 125.8892 58.6351 41.6138 179.4353 373 H 3.7841 8.2999 117.0371 59.2563 29.5202 176.8978 374 D 4.2876 7.8305 120.2185 57.3004 40.8989 178.1385 375 Q 3.7651 8.0367 118.8139 59.0665 28.6918 179.4164 376 V 3.6776 8.6130 119.6530 66.5098 31.3610 177.4001 377 H 4.2255 7.8419 116.4256 59.2976 29.7475 176.9038 378 L 4.1381 8.2115 119.8398 57.7872 41.8120 179.1574 379 L 4.3742 8.2839 118.8177 57.9549 41.3888 179.6683 380 E 4.2836 8.2740 114.7315 57.7483 30.2814 178.0581 *382 A 4.4642 7.9982 123.2121 51.3992 20.8967 179.3383 383 W 4.4345 8.4335 114.4762 60.0319 27.7779 178.2143 384 L 3.4275 6.3708 120.1399 57.0975 41.3548 178.4324 385 E 3.8351 7.7231 118.1550 59.3660 29.4813 179.0563 386 I 3.5952 7.7794 119.7038 64.3515 37.0998 178.2576 387 L 3.9941 7.8633 119.5555 58.2093 41.5463 179.3726 388 M 3.9495 8.3190 118.7057 58.6930 31.8852 178.8493 389 I 3.9019 8.2332 119.0299 63.7233 38.1276 177.8947 390 G 3.8324 8.2824 106.8573 47.9266 0.0000 175.0258 391 L 3.7814 8.0726 123.6927 57.8435 41.7635 179.3827 392 V 3.4010 7.5691 116.6003 65.3983 31.7271 177.3672 393 W 4.4290 8.4522 128.3979 60.8180 30.3094 178.2433 394 R 3.6700 7.8338 116.1111 58.6101 29.5126 178.2486 395 S 4.4140 7.2216 111.9675 59.3283 63.4993 175.5178 396 M 3.4418 7.5161 119.2911 59.2443 31.5221 176.2894 397 E 4.1484 7.5283 120.5084 57.7000 31.0502 177.5251 398 H 4.7863 7.7630 115.0273 52.5440 29.1658 170.5999 399 P 4.3193 0.0000 0.0000 64.0242 31.3416 177.2778 400 G 3.9689 9.1641 110.4640 45.2972 0.0000 172.7148 401 K 4.9034 7.6376 117.2729 54.2898 35.9517 175.4736 402 L 4.2707 8.8107 121.2065 53.0284 43.5816 177.1971 403 L 4.3982 8.2182 129.8370 53.2656 40.4163 175.9252 404 F 4.1158 8.1545 120.4697 60.2022 39.6231 176.0708 405 A 4.4995 7.6776 120.1078 50.1765 21.6811 174.8643 406 P 3.8609 0.0000 0.0000 65.1705 31.3795 177.1379 407 N 5.0675 7.8412 113.1357 52.3145 37.9301 175.5698 408 L 4.6966 8.8477 121.6305 54.6760 42.9507 173.0465 409 L 4.8244 7.9730 119.5678 53.3571 43.0905 176.2777 410 L 4.9493 9.0008 125.1286 52.8861 44.5277 176.0268 411 D 5.1476 8.6415 122.7624 51.8648 42.0876 177.2117 412 R 4.1085 8.1486 120.1067 60.3476 29.9370 178.3966 413 N 4.3697 8.3190 115.4414 56.1638 38.4184 176.9243 414 Q 3.9977 8.1577 120.4736 59.0702 29.0722 178.4444 415 G 2.9017 7.4559 105.5411 46.6108 0.0000 174.7249 416 K 3.9817 7.3069 121.0648 56.0163 29.9583 178.3840 *418 V 3.8474 7.2775 118.0999 61.9408 31.7991 173.3670 419 E 4.0400 8.3031 127.1952 57.9517 29.7396 177.4668 420 G 4.1604 9.0550 113.8954 44.4160 0.0000 174.2249 421 M 3.9715 8.0684 119.0381 57.6007 32.5874 178.0316 422 V 3.5396 7.6099 119.0530 64.8423 31.1043 177.8858 423 E 4.0441 8.0943 117.2890 58.8083 29.5538 178.8929 424 I 3.8768 8.0846 121.6289 63.9543 37.2507 177.9190 425 F 4.0837 8.4476 118.2512 60.7806 38.7931 177.1103 426 D 4.3974 8.5549 118.6592 57.8822 40.5986 179.0215 427 M 4.0702 7.8921 118.6805 58.3308 32.0734 178.8039 428 L 3.8366 8.1338 119.3872 57.7346 41.7276 179.6574 429 L 3.8649 8.1779 119.0291 57.3901 41.6063 179.1478 430 A 3.9370 7.9479 120.7820 55.7161 18.3479 179.8900 431 T 3.6366 7.9509 114.1733 66.5482 68.3883 176.9542 432 S 3.8671 7.6480 114.8958 61.3382 62.3837 176.2796 433 S 4.0999 8.0409 117.9009 61.5723 62.6241 176.7659 434 R 3.9198 7.8724 121.1398 59.4540 29.8944 178.4677 435 F 4.4837 8.1918 117.6276 60.6781 39.0604 177.5838 436 R 3.8866 8.1916 118.1746 59.7066 29.8010 177.8131 437 M 4.3917 8.3810 115.3241 56.6894 32.3823 176.5991 438 M 4.5592 7.5309 114.8610 54.6656 31.9198 175.0193 439 N 4.1937 7.9333 114.2542 53.8944 37.0653 174.1016 440 L 3.9365 7.5764 117.7851 56.2105 42.6558 176.9654 441 Q 4.9566 9.3089 124.3972 54.1174 32.3190 177.3093 442 G 3.3225 8.6125 108.4380 48.0749 0.0000 175.9268 443 E 3.9871 8.1284 120.3965 59.2011 29.4344 179.1018 444 E 3.7344 7.8971 118.1749 58.7886 29.5771 178.8119 445 F 3.8680 7.9844 121.0986 61.3751 39.2707 177.7418 446 V 2.9556 7.5208 111.4348 63.7001 31.1696 178.5379 447 C 4.0311 7.2355 116.6833 62.5858 28.0996 175.6526 448 L 3.9069 7.7691 120.6509 57.8435 41.1172 179.5950 449 K 3.7717 7.8121 119.4733 59.5884 32.1124 178.8103 450 S 4.2893 7.9228 113.2508 61.0320 62.2238 176.3182 451 I 3.6566 7.7817 122.8890 64.4523 36.9119 178.0682 452 I 3.7022 7.8482 120.7155 64.6225 36.6848 177.9051 453 L 4.0040 7.6139 119.6723 58.4572 42.0921 178.8766 454 L 4.1768 7.8210 118.3548 57.3356 41.9128 178.8088 455 N 4.3124 8.7189 117.7413 56.1973 38.9111 177.1569 456 S 4.2194 8.0203 113.3867 60.1323 62.7995 174.7976 457 G 3.8489 7.6528 108.2791 44.8622 0.0000 175.0946 458 V 3.0837 7.2758 119.5321 63.9908 31.4924 176.8737 459 Y 4.6270 7.4086 115.8312 59.0748 38.2867 175.7222 460 T 4.5854 7.2215 115.3525 63.6315 69.0972 176.0961 461 F 4.9074 7.8589 121.7544 56.2922 37.9264 176.3949 462 L 4.5130 7.5199 128.9128 53.8003 41.3530 175.8210 *472 K 4.4806 7.5344 122.9918 56.7140 34.7039 178.5000 473 D 4.4149 7.7790 117.2271 56.5047 41.1521 178.2263 474 H 4.4570 8.1758 118.6526 58.9406 29.9018 177.0746 475 I 3.7176 7.6974 121.5227 64.4348 37.0828 177.8051 476 H 4.2046 7.9088 117.0048 58.5049 28.4823 177.9925 477 R 3.9461 8.5128 120.8151 59.3251 30.0171 179.4827 478 V 3.6152 7.5720 118.3600 64.6539 31.4445 178.1875 479 L 3.9275 7.9618 119.6802 57.7842 41.4229 179.2192 480 D 4.3773 8.2370 118.6369 57.3671 40.6853 178.8828 481 K 4.0304 8.0208 119.6814 59.0763 32.0740 178.8397 482 I 3.8590 7.6038 120.2695 64.0977 37.1376 178.1641 483 T 3.8429 7.8633 116.6783 66.9137 68.3390 176.0699 484 D 4.4279 8.4172 120.9939 58.0014 40.8328 179.3553 485 T 3.9260 7.6802 115.8510 66.2373 68.4105 176.6806 486 L 3.9156 8.0895 122.3620 58.2005 42.1798 178.9327 487 I 3.6509 7.7276 119.6940 64.7022 37.0015 177.5856 488 H 4.0612 8.1392 118.8743 59.5568 29.6439 177.0134 489 L 3.9351 8.0268 120.3998 58.1417 41.4381 179.5946 490 M 4.0356 8.0226 118.3255 58.2765 31.8875 178.6541 491 A 4.0410 8.3965 121.3997 55.0432 18.3187 179.5572 492 K 3.8270 8.0899 117.2944 59.4025 32.3242 178.1046 493 A 4.3383 7.7647 117.8001 51.9614 18.2409 177.5187 494 G 3.8059 7.9381 105.8015 46.4992 0.0000 174.3045 495 L 4.3301 7.7860 119.4050 53.8284 42.4251 178.0928 496 T 4.0480 9.2596 113.7240 61.2175 70.5728 175.1631 497 L 3.8188 8.5237 124.3389 58.8051 42.0312 179.4584 498 Q 4.0757 7.9809 116.1020 58.7891 28.9223 177.9211 499 Q 4.0213 7.8000 120.2797 58.7080 28.6455 178.5382 500 Q 3.9424 8.1892 119.5953 59.4814 28.9414 178.6557 501 H 4.3683 7.6498 117.1421 58.5711 28.6426 177.9296 502 Q 4.0107 8.1628 120.1348 59.0762 28.6193 178.9106 503 R 3.8754 8.0858 119.6528 59.1498 30.1233 178.1058 504 L 3.9373 8.1090 120.0595 58.1744 42.0302 178.9528 505 A 4.0170 7.9319 120.1249 55.3268 18.1322 179.5615 506 Q 3.9957 8.0882 115.5745 59.1220 28.6133 178.9716 507 L 4.1988 8.0631 119.9656 57.8462 41.2648 179.5361 508 L 4.1603 8.0989 118.7838 57.5256 41.3223 179.4807 509 L 4.1114 8.2104 119.2198 57.5516 41.5533 179.3864 510 I 3.9208 7.6202 118.6829 64.1345 36.9973 178.3346 511 L 4.0869 7.7749 119.4380 57.5116 41.3516 179.3032 512 S 4.0732 7.7995 113.4031 61.7937 62.2385 176.0038 513 H 4.3369 7.9404 118.3223 58.7312 28.5661 177.6292 514 I 3.7122 7.9705 121.8125 64.2596 36.8862 178.4314 515 R 3.9466 8.1343 119.6309 59.5019 29.9211 177.9439 516 H 4.0473 8.1770 118.0042 59.6689 29.8739 176.9418 517 M 3.9767 8.3608 120.7500 58.5030 31.7869 178.5624 518 S 3.9083 8.0962 113.0807 61.6292 62.5726 176.1109 519 N 4.3491 8.0244 118.9232 56.1437 38.2395 177.6771 520 K 4.0658 8.0867 120.1311 59.3842 32.1554 179.6936 521 G 3.6453 8.6799 106.3621 48.0564 0.0000 175.6912 522 M 4.1265 8.4581 121.4491 58.1960 32.0845 178.4658 523 E 4.0693 8.1509 118.9924 59.1751 29.7186 178.3629 524 H 4.2271 8.3762 118.7482 59.0019 29.9617 176.9875 525 L 3.9945 8.0839 122.3143 58.3149 41.7192 178.2700 526 Y 4.0489 7.9412 118.6402 60.5950 38.7617 177.7915 527 S 4.1990 7.7739 112.7810 61.6542 62.9600 175.5094 528 M 4.1548 8.0165 121.4562 58.2441 31.7089 179.8590 529 K 3.8942 7.8555 117.6075 56.6362 32.1254 177.7857 *531 K 4.0149 7.8277 114.1094 54.4403 33.6644 175.3672 532 N 4.1746 7.8307 114.8861 54.3694 36.6189 175.9391 533 V 3.9135 7.6245 111.6507 63.4201 32.3516 177.5150 534 V 4.4520 7.1049 116.5119 59.7475 33.7115 171.9251 535 P 4.5410 0.0000 0.0000 62.2966 32.0572 175.7407 536 L 4.7512 8.0185 119.4510 51.9770 44.9256 177.5020 537 S 4.1699 8.7088 118.2872 59.1441 64.3024 175.4128 538 D 4.3417 8.6899 123.4661 57.1924 40.8099 178.8274 539 L 4.0010 7.7634 120.6901 58.1414 42.2574 178.4629 540 L 3.6131 7.5198 118.6671 57.8986 41.5810 179.4498 541 L 3.9774 8.1153 120.3041 57.9806 41.8919 178.7609 542 E 4.1146 8.0853 117.5874 59.1009 29.5138 179.0090 543 M 4.0136 7.6465 118.6063 58.1227 32.4559 177.7498 544 L 4.3313 8.0871 120.4556 58.6154 42.0957 178.7483 545 D 4.4926 8.0338 117.0215 57.2814 40.7446 178.3041 546 A 4.2225 7.7510 120.3463 54.6621 18.6325 177.8451 547 H 4.5473 7.6285 112.3644 55.4893 29.7038 175.1807 548 R 4.5155 8.2138 118.8977 54.6962 33.2694 174.8019 549 L 4.6025 7.9020 121.2629 52.9766 45.3712 175.9945 550 H 4.4825 7.8715 118.8136 56.4422 29.8193 173.6120 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 303 K 8.30 4.26 0.00 1.86 1.95 0.00 1.47 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.42 7.81 304 N 7.91 4.82 0.00 2.85 2.80 0.00 0.00 5.95 6.76 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 0.00 305 S 8.41 4.50 0.00 3.85 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 0.00 306 L 8.70 4.06 0.00 1.64 1.66 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 307 A 7.88 4.24 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 308 L 8.11 4.32 0.00 1.79 1.73 0.92 0.70 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 0.00 309 S 7.74 4.71 0.00 3.81 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 310 L 7.38 4.19 0.00 1.74 1.58 0.96 0.81 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 0.00 311 T 9.03 4.27 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 1.29 0.00 0.00 312 A 8.35 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 313 D 8.03 4.38 0.00 2.68 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 3.99 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 315 M 8.07 3.96 0.00 2.26 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 2.56 2.56 0.00 316 V 7.69 3.55 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.98 0.00 0.00 317 S 8.24 4.11 0.00 4.11 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 0.00 318 A 7.77 4.10 1.33 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 0.00 0.00 319 L 7.87 4.16 0.00 1.87 1.72 0.87 0.49 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 0.00 320 L 8.12 4.09 0.00 1.72 1.75 0.94 0.95 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 7.94 4.50 0.00 2.68 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 0.00 322 A 7.44 4.33 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 0.00 323 E 7.38 3.98 0.00 2.16 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 2.69 2.56 0.00 324 P 0.00 4.63 0.00 2.03 2.03 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.95 0.00 325 P 0.00 4.57 0.00 2.19 2.08 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.94 0.00 326 I 8.15 3.91 1.84 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 1.43 0.79 0.77 0.00 0.00 327 L 8.25 4.80 0.00 1.65 1.65 0.96 0.90 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 0.00 328 Y 8.35 4.54 0.00 2.95 2.95 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 0.00 404 F 8.15 4.12 0.00 3.08 3.05 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 0.00 0.00 0.00 405 A 7.68 4.50 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 406 P 0.00 3.86 0.00 1.55 2.01 0.00 2.88 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.77 0.00 407 N 7.84 5.07 0.00 3.02 3.16 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 8.85 4.70 0.00 1.66 1.68 0.68 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 409 L 7.97 4.82 0.00 1.55 1.60 0.82 0.85 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 0.00 410 L 9.00 4.95 0.00 1.90 1.82 0.74 0.88 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 0.00 411 D 8.64 5.15 0.00 2.94 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 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0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 422 V 7.61 3.54 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 0.93 0.00 0.00 0.92 0.00 0.00 423 E 8.09 4.04 0.00 2.19 2.25 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 2.35 2.34 0.00 424 I 8.08 3.88 2.07 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 1.53 0.51 1.00 0.00 0.00 425 F 8.45 4.08 0.00 3.11 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 8.55 4.40 0.00 2.85 2.74 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 0.00 427 M 7.89 4.07 0.00 2.02 2.10 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 2.91 2.59 0.00 428 L 8.13 3.84 0.00 1.62 1.46 0.84 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 429 L 8.18 3.86 0.00 1.76 1.64 0.92 0.82 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 0.00 430 A 7.95 3.94 1.33 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 0.00 0.00 431 T 7.95 3.64 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 0.69 0.00 0.00 432 S 7.65 3.87 0.00 3.74 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 8.04 4.10 0.00 4.02 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 0.00 434 R 7.87 3.92 0.00 1.95 2.06 0.00 3.21 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 1.70 1.89 0.00 435 F 8.19 4.48 0.00 3.24 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 0.00 436 R 8.19 3.89 0.00 2.02 2.14 0.00 3.03 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 437 M 8.38 4.39 0.00 2.17 2.06 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 2.61 2.70 0.00 438 M 7.53 4.56 0.00 2.37 2.14 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 2.51 2.86 0.00 439 N 7.93 4.19 0.00 2.90 2.93 0.00 0.00 6.77 7.16 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 0.00 440 L 7.58 3.94 0.00 1.37 1.74 0.73 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 441 Q 9.31 4.96 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 442 G 8.61 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 443 E 8.13 3.99 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 7.90 3.73 0.00 2.06 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 2.35 2.32 0.00 445 F 7.98 3.87 0.00 2.05 2.40 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 0.00 446 V 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0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 *472 K 7.53 4.48 0.00 1.96 1.93 0.00 1.60 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.49 7.81 473 D 7.78 4.41 0.00 2.71 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 0.00 474 H 8.18 4.46 0.00 3.17 3.29 0.00 5.67 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 0.00 475 I 7.70 3.72 1.92 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.72 0.84 0.00 0.00 476 H 7.91 4.20 0.00 3.19 3.38 0.00 5.63 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 0.00 477 R 8.51 3.95 0.00 1.94 1.98 0.00 3.30 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.81 0.00 478 V 7.57 3.62 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 0.74 0.00 0.00 0.95 0.00 0.00 479 L 7.96 3.93 0.00 1.86 1.73 0.74 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 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8.14 4.06 0.00 3.34 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 0.00 489 L 8.03 3.94 0.00 2.07 1.69 0.94 0.79 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 0.00 490 M 8.02 4.04 0.00 2.05 2.20 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 2.85 2.53 0.00 491 A 8.40 4.04 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 0.00 492 K 8.09 3.83 0.00 1.66 1.92 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.42 7.81 493 A 7.76 4.34 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 494 G 7.94 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 495 L 7.79 4.33 0.00 1.72 1.58 0.90 0.66 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 0.00 496 T 9.26 4.05 4.23 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 505 A 7.93 4.02 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 0.00 506 Q 8.09 4.00 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.62 0.00 507 L 8.06 4.20 0.00 1.86 1.69 0.86 0.29 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 0.00 508 L 8.10 4.16 0.00 1.87 1.74 0.96 0.48 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 0.00 509 L 8.21 4.11 0.00 1.89 1.77 0.97 0.65 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 0.00 510 I 7.62 3.92 2.22 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.21 1.08 0.00 0.00 511 L 7.77 4.09 0.00 1.86 1.74 0.94 0.76 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 0.00 512 S 7.80 4.07 0.00 3.81 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 0.00 513 H 7.94 4.34 0.00 3.41 3.32 0.00 5.87 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 0.00 514 I 7.97 3.71 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 1.39 0.95 0.89 0.00 0.00 515 R 8.13 3.95 0.00 2.07 2.15 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 516 H 8.18 4.05 0.00 3.29 3.54 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 8.36 3.98 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.55 0.00 518 S 8.10 3.91 0.00 3.80 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 0.00 519 N 8.02 4.35 0.00 2.90 2.80 0.00 0.00 7.08 6.93 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 0.00 520 K 8.09 4.07 0.00 1.87 1.82 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.48 7.81 521 G 8.68 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 522 M 8.46 4.13 0.00 1.95 2.09 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.47 0.00 523 E 8.15 4.07 0.00 2.28 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 2.32 2.39 0.00 524 H 8.38 4.23 0.00 3.27 3.45 0.00 5.64 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 8.08 3.99 0.00 2.03 2.01 1.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 526 Y 7.94 4.05 0.00 3.15 3.18 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 0.00 527 S 7.77 4.20 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 0.00 528 M 8.02 4.15 0.00 2.02 2.22 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 2.57 2.70 0.00 529 K 7.86 3.89 0.00 1.75 1.71 0.00 1.61 0.00 0.00 1.36 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.41 7.81 *531 K 7.83 4.01 0.00 1.76 1.83 0.00 1.92 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.60 7.81 532 N 7.83 4.17 0.00 2.80 2.83 0.00 0.00 6.92 7.22 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 0.00 533 V 7.62 3.91 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 0.71 0.00 0.00 0.91 0.00 0.00 534 V 7.10 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 0.64 0.00 0.00 0.93 0.00 0.00 535 P 0.00 4.54 0.00 2.06 2.01 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 2.02 2.09 0.00 536 L 8.02 4.75 0.00 1.56 1.51 0.94 0.88 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 0.00 537 S 8.71 4.17 0.00 4.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 538 D 8.69 4.34 0.00 2.65 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 0.00 539 L 7.76 4.00 0.00 1.70 1.73 0.84 0.61 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 0.00 540 L 7.52 3.61 0.00 1.70 1.64 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 541 L 8.12 3.98 0.00 1.91 1.66 0.92 0.80 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 8.09 4.11 0.00 2.31 2.35 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 2.26 2.44 0.00 543 M 7.65 4.01 0.00 1.13 1.70 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 2.24 0.00 544 L 8.09 4.33 0.00 1.96 1.82 1.12 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 545 D 8.03 4.49 0.00 2.91 2.79 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 0.00 0.00 0.00 0.00 546 A 7.75 4.22 1.52 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 0.00 0.00 0.00 547 H 7.63 4.55 0.00 3.43 3.29 0.00 5.80 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 548 R 8.21 4.52 0.00 1.70 1.75 0.00 3.35 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 549 L 7.90 4.60 0.00 0.27 1.23 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 550 H 7.87 4.48 0.00 3.24 3.12 0.00 5.78 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.