NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 319 D 4.4835 8.3644 120.5157 54.3466 42.3254 173.7766 320 I 4.0700 7.4855 120.9231 58.8933 41.4582 171.8824 *322 G 3.8286 8.9838 109.4729 45.6568 0.0000 171.3235 323 F 4.5134 8.8140 119.0768 57.0066 40.0018 175.3628 324 V 3.9597 8.2724 124.8640 60.7685 32.5419 175.4607 325 F 3.7769 8.2941 128.5245 57.4734 40.0277 174.7399 326 N 4.7191 9.6258 123.6020 52.9528 37.8641 175.6181 327 T 4.3386 8.5882 123.4999 65.7418 68.8997 176.7910 328 R 4.1035 7.9826 119.9406 58.6767 30.5442 177.6565 329 R 4.1056 7.8597 117.7452 55.9759 30.9489 177.3553 330 T 3.8477 8.7680 119.5871 66.8939 68.5904 176.3553 331 L 3.7536 7.6535 118.9937 57.0091 41.5134 177.8509 332 F 5.0770 7.7010 116.9823 57.6524 39.5882 177.3318 333 K 4.1155 8.0153 123.9349 57.2376 31.7488 181.8310 334 D 4.7200 8.0173 120.2241 52.8057 41.9413 177.0901 335 K 3.8827 8.5928 126.5831 59.8091 32.4528 179.3519 336 R 3.9168 8.3322 119.8791 58.8542 29.9228 178.9597 337 V 3.5283 7.7472 117.9180 66.2250 31.7715 178.2962 338 R 3.1154 7.7304 117.2137 58.9468 29.7131 178.7808 339 Q 4.1889 8.3648 120.4667 58.4361 28.8536 177.8795 340 A 4.0083 7.7854 120.7178 55.4458 18.8047 179.3736 341 L 4.2371 8.1685 117.3928 57.9146 41.2194 179.6291 342 S 4.2558 8.2809 112.8639 61.6845 62.1304 176.3887 343 I 3.9214 7.7494 121.3296 64.3608 36.8713 178.1706 344 L 4.2270 7.8535 119.1063 56.3923 41.7923 177.6552 345 F 4.7342 7.7576 120.2706 58.1083 39.8389 174.9907 346 D 4.6209 7.8859 126.7441 51.9689 41.5563 175.9664 347 F 4.0814 7.9613 128.2688 60.6623 39.5747 176.2605 348 E 3.6152 8.0958 117.9212 58.9796 29.3258 178.7298 349 W 3.9605 9.9806 128.7534 60.4788 30.7293 178.0907 350 V 3.7386 7.5860 118.1056 66.0639 30.9761 177.3974 351 N 4.2121 8.0886 117.0594 57.0081 38.4204 175.9104 352 H 3.8717 7.9802 119.5293 59.5589 29.6841 176.7037 353 H 3.8885 7.6705 117.3763 57.6113 28.8347 177.2274 354 L 4.0196 7.3392 119.6079 55.8583 42.0842 178.0562 355 F 5.0483 7.2817 114.0884 55.8976 39.8061 174.8442 356 N 4.0801 8.2977 115.2356 54.5690 37.7176 174.1118 357 N 4.3787 8.6975 112.4806 54.0920 36.7725 176.2791 358 I 3.6277 7.7270 118.4912 62.9895 35.4626 180.0905 359 Y 4.8786 7.1946 117.5345 57.5089 39.2951 175.0934 360 T 4.9108 9.0069 114.5255 60.2404 71.3580 172.8833 361 R 3.8948 8.5048 127.7071 56.5593 30.7617 175.9538 362 T 4.2943 8.5531 123.5275 63.4403 69.0588 173.9257 363 E 4.4699 9.4648 123.9970 57.3883 31.8741 175.8335 364 G 4.0427 9.6285 106.1483 44.7281 0.0000 171.1719 365 Y 4.0337 8.8488 115.9775 58.0346 38.9904 175.8390 366 W 4.9935 7.6958 120.3238 55.6317 30.4994 174.6010 367 D 4.4877 8.4413 116.9957 56.1746 40.5434 177.4222 368 G 3.8982 8.9334 111.4708 46.4557 0.0000 172.7095 369 S 4.8039 7.6224 113.2322 55.4299 64.9016 174.6832 370 I 3.7277 8.3322 122.7185 63.7687 37.6132 176.4253 371 L 4.1634 8.1022 118.3014 55.0063 41.8557 176.8746 372 S 4.4610 7.7170 115.1447 58.0526 62.4421 174.1525 373 S 4.3606 9.3302 121.4520 59.6456 62.8843 175.6907 374 I 3.7564 7.3724 122.7980 64.8174 37.1786 177.4646 375 G 3.7193 7.9238 111.8957 47.3384 0.0000 173.1421 376 K 4.5098 7.3023 119.2486 53.9215 33.4952 174.8416 377 P 4.4719 0.0000 0.0000 61.8512 31.9955 176.2007 378 A 4.1585 8.4918 124.8981 52.5539 18.9838 178.4842 379 S 4.4589 9.7798 119.0635 57.7483 65.3454 175.4766 380 E 3.9956 8.6402 121.4463 59.5244 29.2594 179.4645 381 E 4.0585 8.1037 117.0976 59.1869 29.8145 178.9347 382 E 3.9873 8.0969 119.8474 59.0553 29.5580 179.1638 383 K 3.9445 8.0255 118.1968 59.3913 31.8840 179.2084 384 A 4.0006 7.6077 119.5645 55.2512 18.4102 179.4310 385 L 4.1025 7.7187 115.9377 57.2796 41.9147 178.8330 386 L 4.6033 7.8189 117.0402 55.1860 42.0130 178.2950 387 A 4.0096 7.8511 120.9309 54.8476 18.3819 177.4423 388 P 4.3101 0.0000 0.0000 63.4974 32.0470 176.5106 389 Y 4.6440 7.9663 116.5659 55.3109 38.4044 173.9234 390 P 4.5340 0.0000 0.0000 63.9374 32.1069 177.4393 391 D 4.7471 7.9004 117.1510 54.3769 41.9989 177.2099 392 A 4.1074 7.7539 121.4744 54.0665 18.5610 178.1584 393 V 4.3874 7.4147 114.2523 60.4761 34.1909 175.1070 394 L 4.1484 8.4471 127.9013 53.9874 42.0867 176.3416 395 P 4.2318 0.0000 0.0000 66.6306 31.5026 178.1226 396 E 4.1153 8.2396 114.4814 58.5936 29.5694 180.1121 397 V 4.2854 7.7471 118.0675 63.6348 31.6814 177.5117 *399 D 4.2211 8.2499 119.8751 52.2714 42.5102 177.1344 400 G 3.9367 7.8179 104.8984 45.5569 0.0000 174.0945 401 S 4.2514 7.9352 116.0914 60.0156 62.8547 175.1488 *402 W 4.1673 7.7035 123.4138 57.1574 28.5169 181.7639 403 R 4.8653 8.1849 119.8139 53.4231 32.9009 172.9050 404 I 3.8348 8.3104 122.2201 60.7433 38.4740 176.0275 405 S 4.4225 8.6220 123.3023 59.1826 63.7926 175.2705 406 K 4.5115 7.9863 122.3906 52.7525 32.4371 175.6720 *413 D 4.5641 7.8568 125.4291 54.6112 43.3393 177.8598 414 R 4.0594 8.3863 124.8389 61.7853 30.1535 180.9361 415 L 4.2137 7.9580 121.0130 60.0549 40.8783 182.8308 416 N 4.5463 8.2401 116.3465 56.3343 38.5574 177.3206 417 A 4.0467 8.4442 122.3154 54.9333 18.3875 179.4170 418 Q 4.0359 8.0117 117.7873 59.4013 28.9758 178.3782 419 K 3.8558 7.9050 118.8029 59.6782 32.1866 178.9294 420 A 4.0687 8.3890 120.8818 55.0473 18.2704 179.3720 421 W 4.6003 8.8601 129.7368 61.2766 30.7463 178.6631 422 K 3.6415 8.5279 124.0113 59.8275 31.0761 180.9374 423 L 4.1300 7.5896 120.0499 57.7388 41.6807 179.6919 424 L 4.0637 7.9187 118.8621 57.5937 41.4215 179.4634 425 Q 3.7747 8.0981 122.3824 59.8279 28.7279 178.9446 426 E 4.0262 7.8918 117.4434 60.4842 29.8190 179.7280 427 A 4.6462 7.7791 117.5069 52.6784 18.7997 177.8712 428 G 3.9231 7.8560 105.8787 45.0231 0.0000 173.7708 429 F 5.0587 8.0347 117.7432 56.5295 40.8403 174.9701 430 T 5.1850 9.0730 110.2319 60.6810 72.9676 172.3319 431 K 5.1493 8.8608 120.6938 54.4788 34.7784 175.9743 432 K 4.3463 9.2953 125.8055 55.7694 34.9533 175.8409 433 N 3.9834 9.8309 125.2677 54.5948 35.9666 173.7780 434 N 4.1863 8.1052 113.5436 54.7007 38.2874 173.0758 435 R 4.9364 7.6456 116.2615 54.3481 33.4301 178.0720 436 L 4.8038 8.6366 125.8771 54.3505 43.6250 175.6293 437 I 5.0706 9.5348 126.5480 59.4098 40.9679 175.4590 438 A 3.9737 8.9839 128.8090 50.6495 19.1911 176.8698 439 P 4.1313 0.0000 0.0000 65.2882 31.3072 177.4562 440 N 4.5836 7.7419 112.5100 52.2998 37.8082 175.2235 441 G 4.0384 7.9889 107.8213 45.4885 0.0000 174.1945 442 L 4.1198 8.1758 123.1139 54.3150 42.8466 174.8952 443 P 4.8038 0.0000 0.0000 62.8066 32.6593 176.4915 444 F 4.4802 9.3825 126.2184 58.2032 39.3842 173.8142 445 Q 5.5535 8.6311 123.5987 53.6410 32.8975 174.0620 446 F 4.9616 8.1960 116.3225 56.4649 40.6371 171.7116 447 E 5.0055 9.5212 120.0617 54.7538 32.0082 175.5044 448 I 4.7238 8.6584 128.0720 60.2412 40.6972 174.3470 *450 T 4.4537 8.1650 117.8641 64.0846 69.3311 175.1591 451 Q 4.4174 8.2653 120.2524 55.6529 30.5906 176.2716 452 S 4.7404 7.3283 112.7485 55.7522 67.3358 174.7766 453 L 4.0193 8.3453 122.3460 57.4975 41.3931 179.4241 454 E 4.0878 8.0904 119.2925 59.0130 29.7330 178.0247 455 E 3.9462 8.0750 118.6153 59.5485 29.5037 178.6722 456 E 4.0137 8.4661 121.7066 60.2639 29.6081 179.9129 457 K 4.0778 7.8581 123.4348 59.7062 31.7907 181.0581 458 V 4.0598 7.9217 119.0215 66.0415 31.5305 178.0185 459 A 4.4601 8.5260 120.6462 55.3342 18.2756 179.6156 460 L 4.0260 8.3675 117.5324 57.7059 41.5236 179.5401 461 A 3.8402 8.1628 120.6787 55.1784 18.3866 179.2629 462 F 4.6772 8.5758 119.2248 61.8366 39.4237 176.8445 463 Q 3.6866 8.5937 119.4007 59.4793 28.4956 178.8426 464 S 4.0061 7.6011 114.4299 61.5733 62.5772 176.1170 465 N 4.4106 7.8533 119.2428 56.3311 38.3089 177.5463 466 L 3.9080 7.8623 120.3558 57.4637 41.5221 179.5466 467 S 4.1880 7.9870 117.8671 62.2841 62.5691 177.4200 468 R 4.0877 7.4548 120.5538 60.0560 29.0240 179.1694 469 L 4.6274 7.4024 115.0297 54.8646 42.4797 176.8219 470 G 3.8818 8.3282 105.9730 46.2171 0.0000 173.0390 471 I 4.6278 7.5573 120.2058 59.6593 38.9105 174.6380 472 H 4.7925 8.8541 126.4975 54.3557 31.7585 172.6699 473 A 4.3423 8.0294 127.6222 49.6763 20.9351 175.1397 474 E 4.0301 8.6421 125.0402 55.8376 31.1273 175.2731 475 I 4.8558 8.3003 127.6806 59.9458 38.6517 175.0333 476 R 4.7379 8.9220 126.8138 54.5811 32.5062 175.5994 477 T 4.7804 8.5780 119.6055 61.9531 70.6195 173.8784 478 V 4.7352 8.7937 119.4324 58.7983 35.7546 175.3805 479 D 4.5008 8.5667 120.9136 53.2574 40.1579 176.8156 480 D 4.3396 8.8722 120.1097 57.8268 41.0621 178.9233 481 S 4.1117 8.0694 114.8923 61.8712 63.0211 176.4244 482 Q 4.0119 7.9698 121.2341 59.2714 28.7643 177.5927 483 Y 4.0114 8.3346 120.7991 60.8243 38.8634 177.9707 484 Q 4.0203 8.2959 119.0860 58.7473 28.6076 178.0435 485 N 4.3550 8.0418 117.5890 56.4827 39.2413 176.8017 486 R 4.1740 7.9506 118.9329 58.1984 30.0350 178.9675 487 L 4.1481 7.5016 118.8288 57.5284 41.7524 180.0051 488 G 3.5527 7.7112 102.7242 45.4543 0.0000 173.8613 *490 F 4.7107 7.9355 116.9624 57.2110 40.3744 176.0901 491 N 4.6481 8.1857 120.8936 51.2027 37.3283 172.6925 492 Y 4.8621 6.7792 119.0106 56.1559 40.9574 175.6326 493 D 4.7395 8.4335 116.5554 55.2850 41.9292 176.3315 *495 I 4.1319 7.2647 112.3668 60.8764 39.5859 173.8319 496 I 4.5692 8.1209 122.2283 59.5545 38.4324 175.9238 497 G 4.0541 8.7970 115.9840 44.9395 0.0000 172.3664 498 K 4.9562 8.4905 124.6778 53.0147 34.9254 175.7381 499 L 4.6884 8.9118 127.1194 52.6347 44.0424 176.8468 500 K 4.1814 8.6834 126.3856 54.4872 32.3613 174.0956 501 N 4.9816 8.3842 124.6766 50.2474 38.7008 175.7263 502 S 3.9226 7.9730 110.8415 60.2424 64.1383 176.3555 503 L 4.3493 9.6247 115.9721 54.2793 42.9394 177.1145 504 S 4.9783 8.7942 116.6848 56.3468 65.7229 172.4724 505 P 4.9150 0.0000 0.0000 63.3678 32.6148 175.9058 506 G 4.0518 10.1646 113.8278 43.7231 0.0000 175.1672 507 N 4.4062 9.1097 118.4712 56.1385 38.3388 176.4166 508 E 3.9687 8.4005 118.5947 59.6615 29.2232 179.1129 509 Q 4.2086 8.1044 118.5893 58.8633 28.6730 178.8870 510 I 3.7068 8.1251 121.3626 64.4993 37.0656 177.9926 511 N 4.2485 8.0956 117.2550 56.4280 38.7599 176.7604 512 R 3.8405 7.6634 119.5088 57.5547 30.1853 177.8275 513 W 5.1064 8.1988 114.6612 55.6807 31.6442 175.7563 514 S 4.6188 8.0935 114.0438 57.5109 63.6113 175.2089 515 S 4.0290 8.9623 118.6834 62.0504 62.8231 177.3148 516 A 4.0171 7.9535 121.3524 54.9782 18.4011 178.7822 517 S 4.2208 8.1694 110.5352 60.7715 63.5913 176.5145 518 R 3.5745 7.5841 121.6253 59.5368 29.6333 176.9251 519 N 4.6266 8.0286 110.9060 53.3092 38.9638 174.7588 520 L 4.5498 7.6470 120.4244 52.5948 42.0124 176.2470 521 K 4.0687 8.5537 124.3286 57.8403 32.3293 177.7113 522 G 3.9234 8.0126 112.9813 45.1193 0.0000 173.7384 523 S 4.4827 7.5475 113.4865 57.6240 63.8974 173.9062 524 F 3.8428 8.0402 116.2281 57.1313 39.2622 177.1744 525 N 5.0340 7.1133 120.1950 51.9421 36.8813 174.8864 526 F 5.0120 7.5561 118.8653 60.0016 40.0393 177.5796 527 S 5.0457 7.6565 114.2804 58.6178 63.3439 174.7646 528 G 3.4088 8.2084 108.6465 45.9664 0.0000 173.6300 529 A 4.0389 8.1386 121.8394 52.3881 18.7741 179.3366 530 S 4.5678 8.1929 116.2477 55.9068 63.4228 171.7036 531 D 4.7930 7.9983 122.2542 50.5428 44.9415 173.2271 532 P 4.2391 0.0000 0.0000 65.7199 31.1257 178.6019 533 A 2.5800 7.6748 118.6994 54.3379 18.2847 179.2372 534 I 3.6618 7.3050 110.3785 64.0554 38.3471 177.3964 535 D 4.5489 7.9390 120.7230 57.0396 40.6740 179.4020 536 A 4.1440 7.9208 119.8037 52.6286 18.5765 179.3710 *538 I 4.0105 7.7697 123.7544 63.3584 39.6036 178.4428 539 T 3.8450 7.9209 116.4659 66.6860 68.2974 176.4821 540 A 4.0273 7.9465 122.5493 55.0922 18.1431 179.5815 541 I 3.5052 7.5966 116.8623 64.7408 37.2928 178.2214 542 L 4.2342 7.8725 118.2383 57.4813 41.5878 178.5648 543 D 4.4918 8.4681 117.0237 54.4110 41.4777 176.9137 544 A 4.1474 7.3747 122.9222 52.7454 18.8423 176.8924 545 H 4.9753 8.7554 116.9254 55.0296 30.3385 174.2466 546 S 4.7254 7.6077 114.1769 55.6234 67.3116 174.2771 547 Q 4.0292 8.7097 123.6300 59.6287 28.6322 179.1693 548 V 3.6321 7.7378 118.6314 66.1691 31.7421 177.6632 549 D 4.4040 8.0464 118.4376 56.9516 40.6293 178.6120 550 F 4.0485 8.6913 121.7742 61.3326 39.5461 177.0729 551 I 3.5402 8.3013 119.6541 64.4708 36.8740 178.2755 552 A 3.8552 7.7446 120.5953 55.0348 18.1792 179.3376 553 A 3.8050 7.6354 119.1568 55.3283 18.4139 179.9785 554 V 2.8708 7.1838 116.3993 65.9772 31.5707 178.4187 555 R 3.7993 7.7326 117.4492 59.2390 29.4889 178.9646 556 A 3.9761 8.6299 121.4361 54.7213 18.2740 179.5791 557 L 3.7074 7.9109 119.2689 58.4326 42.1732 178.3526 558 D 4.6415 8.4437 118.4129 58.0703 40.7579 179.0412 559 R 3.9623 7.8536 117.8303 59.0926 30.0134 179.0567 560 I 3.9308 7.4201 119.2992 64.0959 37.4659 178.4364 561 L 3.7935 7.7884 119.9169 57.5236 40.9876 179.5257 562 I 3.9150 8.0709 120.0375 64.7755 36.9190 178.8130 563 S 4.2674 7.6927 114.2041 61.2806 62.6474 176.6631 564 G 3.3320 8.0573 107.8482 45.0644 0.0000 173.5967 565 S 3.9229 7.9578 115.9946 59.8551 61.0742 174.0006 566 Y 4.4851 7.6839 117.7443 60.5746 38.9364 176.4014 567 Y 5.0862 8.3047 114.3977 56.2505 41.1981 175.9704 568 I 4.4108 8.8363 124.4676 59.3843 38.5550 173.4888 569 P 4.5652 0.0000 0.0000 62.6718 32.3644 174.0248 570 L 4.6270 8.4909 122.1754 54.8410 42.4551 178.5320 571 Y 5.2463 7.9059 122.2425 56.8412 41.4704 173.3936 572 H 4.9945 9.5524 117.0429 54.4948 32.7244 173.3728 573 L 4.6500 8.7434 122.1462 54.1258 41.2230 177.9781 574 S 4.3719 8.9232 118.6549 58.0325 62.1913 174.0753 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 319 D 8.36 4.48 0.00 2.59 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 0.00 320 I 7.49 4.07 1.54 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.59 0.70 0.00 0.00 *322 G 8.98 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 323 F 8.81 4.51 0.00 2.49 2.39 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 0.00 324 V 8.27 3.96 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.11 0.00 0.00 325 F 8.29 3.78 0.00 2.90 2.55 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 0.00 326 N 9.63 4.72 0.00 2.99 2.99 0.00 0.00 6.85 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 0.00 327 T 8.59 4.34 4.75 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 1.45 0.00 0.00 328 R 7.98 4.10 0.00 1.80 1.97 0.00 3.12 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 329 R 7.86 4.11 0.00 1.92 1.76 0.00 3.46 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 330 T 8.77 3.85 4.16 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 1.14 0.00 0.00 331 L 7.65 3.75 0.00 0.89 0.68 0.44 -0.56 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 0.00 332 F 7.70 5.08 0.00 3.38 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 0.00 333 K 8.02 4.12 0.00 1.80 1.73 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.25 7.81 334 D 8.02 4.72 0.00 2.74 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 335 K 8.59 3.88 0.00 1.96 1.91 0.00 1.49 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.46 7.81 336 R 8.33 3.92 0.00 2.18 2.02 0.00 3.13 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 337 V 7.75 3.53 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 1.31 0.00 0.00 1.02 0.00 0.00 338 R 7.73 3.12 0.00 1.56 1.38 0.00 2.75 0.00 0.00 2.75 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.17 0.00 339 Q 8.36 4.19 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.24 0.00 340 A 7.79 4.01 1.40 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 0.00 341 L 8.17 4.24 0.00 2.14 2.15 1.27 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 342 S 8.28 4.26 0.00 4.15 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 0.00 343 I 7.75 3.92 2.12 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.87 1.02 0.00 0.00 344 L 7.85 4.23 0.00 2.04 1.86 0.91 0.87 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 0.00 345 F 7.76 4.73 0.00 2.52 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 0.00 346 D 7.89 4.62 0.00 2.68 2.44 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 0.00 347 F 7.96 4.08 0.00 3.17 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 0.00 348 E 8.10 3.62 0.00 2.07 1.94 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 2.44 2.35 0.00 349 W 9.98 3.96 0.00 3.65 3.28 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 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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 1.30 0.62 0.91 0.00 0.00 359 Y 7.19 4.88 0.00 2.93 2.87 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 0.00 360 T 9.01 4.91 4.31 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 1.28 0.00 0.00 361 R 8.50 3.89 0.00 1.42 1.72 0.00 3.34 0.00 0.00 2.60 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 362 T 8.55 4.29 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 1.09 0.00 0.00 363 E 9.46 4.47 0.00 1.99 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 2.22 2.20 0.00 364 G 9.63 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 365 Y 8.85 4.03 0.00 2.58 2.03 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 0.00 366 W 7.70 4.99 0.00 3.47 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.27 0.59 0.94 0.00 0.00 375 G 7.92 3.72 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 0.00 0.00 0.00 376 K 7.30 4.51 0.00 1.78 1.75 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.56 7.81 377 P 0.00 4.47 0.00 2.04 1.98 0.00 3.70 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 378 A 8.49 4.16 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 379 S 9.78 4.46 0.00 4.01 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 380 E 8.64 4.00 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 381 E 8.10 4.06 0.00 2.14 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 0.00 2.35 2.33 0.00 382 E 8.10 3.99 0.00 2.17 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 2.44 2.31 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 517 S 8.17 4.22 0.00 4.00 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 0.00 518 R 7.58 3.57 0.00 1.65 2.10 0.00 3.46 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.46 0.00 519 N 8.03 4.63 0.00 2.76 2.85 0.00 0.00 6.82 7.85 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 0.00 520 L 7.65 4.55 0.00 1.69 1.62 0.92 1.17 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 0.00 521 K 8.55 4.07 0.00 1.72 1.71 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.52 7.81 522 G 8.01 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 0.00 523 S 7.55 4.48 0.00 4.09 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 0.00 524 F 8.04 3.84 0.00 2.77 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 525 N 7.11 5.03 0.00 2.46 2.47 0.00 0.00 7.17 6.69 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 0.00 526 F 7.56 5.01 0.00 3.15 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 7.66 5.05 0.00 4.43 4.47 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 0.00 528 G 8.21 3.41 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 0.00 529 A 8.14 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 530 S 8.19 4.57 0.00 3.78 3.75 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 0.00 531 D 8.00 4.79 0.00 2.81 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 0.00 532 P 0.00 4.24 0.00 2.36 2.20 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 533 A 7.67 2.58 0.78 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 0.00 0.00 534 I 7.30 3.66 1.64 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 1.58 0.84 0.77 0.00 0.00 535 D 7.94 4.55 0.00 2.82 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 0.00 536 A 7.92 4.14 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 *538 I 7.77 4.01 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.00 0.94 0.00 0.00 539 T 7.92 3.84 4.40 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 1.22 0.00 0.00 540 A 7.95 4.03 1.29 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 0.00 0.00 541 I 7.60 3.51 1.96 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.34 0.78 0.00 0.00 542 L 7.87 4.23 0.00 1.77 1.75 1.02 1.03 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 0.00 543 D 8.47 4.49 0.00 2.66 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 544 A 7.37 4.15 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 545 H 8.76 4.98 0.00 3.10 3.27 0.00 5.85 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 546 S 7.61 4.73 0.00 3.99 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 0.00 547 Q 8.71 4.03 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.95 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 548 V 7.74 3.63 2.09 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 1.03 0.00 0.00 0.94 0.00 0.00 549 D 8.05 4.40 0.00 2.94 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 0.00 550 F 8.69 4.05 0.00 3.10 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 0.00 551 I 8.30 3.54 1.97 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.79 0.87 0.00 0.00 552 A 7.74 3.86 1.29 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 0.00 0.00 553 A 7.64 3.80 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 554 V 7.18 2.87 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.54 0.00 0.00 -0.09 0.00 0.00 555 R 7.73 3.80 0.00 1.96 2.01 0.00 3.12 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.65 0.00 556 A 8.63 3.98 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 0.00 557 L 7.91 3.71 0.00 1.65 1.63 0.64 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 558 D 8.44 4.64 0.00 3.14 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 0.00 559 R 7.85 3.96 0.00 2.12 1.95 0.00 3.15 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 560 I 7.42 3.93 1.79 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.78 0.83 0.00 0.00 561 L 7.79 3.79 0.00 1.13 0.25 -0.44 -0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 562 I 8.07 3.91 1.94 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.31 0.98 0.00 0.00 563 S 7.69 4.27 0.00 4.01 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 0.00 564 G 8.06 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 565 S 7.96 3.92 0.00 3.89 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 0.00 566 Y 7.68 4.49 0.00 3.41 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 567 Y 8.30 5.09 0.00 3.17 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 0.00 568 I 8.84 4.41 1.75 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.67 0.81 0.00 0.00 569 P 0.00 4.57 0.00 2.06 1.80 0.00 3.72 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 570 L 8.49 4.63 0.00 1.05 0.41 0.10 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 571 Y 7.91 5.25 0.00 2.78 2.41 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 0.00 572 H 9.55 4.99 0.00 3.13 3.32 0.00 5.26 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 573 L 8.74 4.65 0.00 1.46 1.54 0.92 0.79 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 0.00 574 S 8.92 4.37 0.00 3.87 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 * Residues marked with a * may have inaccurate shift predictions.