NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 435 R 4.2916 8.2544 119.0754 56.0709 30.8382 174.2021 436 V 4.2005 8.0419 123.5613 57.4465 33.0131 172.9633 437 P 4.3315 0.0000 0.0000 62.4222 32.7756 175.6803 438 I 3.6883 8.0926 123.3605 61.3072 37.5944 175.1568 439 M 4.5148 7.8201 121.7418 53.4979 34.1646 174.0992 440 Y 4.7301 8.5773 119.2867 55.7693 40.3092 173.5532 441 P 4.6012 0.0000 0.0000 63.2605 31.5917 176.0830 442 I 4.2161 10.2849 124.1715 60.9185 39.2398 176.6022 443 G 4.1213 6.9110 107.5405 45.0142 0.0000 169.7813 444 Q 4.8643 7.8641 117.4927 55.1334 32.0527 173.5962 445 M 4.7057 8.7833 113.0394 55.8144 33.9681 175.0265 446 H 3.9257 9.7947 116.8651 55.8927 26.8203 175.2142 447 G 3.8184 8.0003 106.0115 46.2952 0.0000 174.4940 448 T 4.4061 8.0258 110.6392 61.3320 71.8259 173.3279 449 Y 5.3168 7.8311 118.8929 56.0245 41.3440 174.7528 450 I 4.8619 9.1176 124.7236 59.6032 40.1887 174.4805 451 L 5.2813 9.0432 126.1678 53.0636 44.3469 175.5532 452 A 5.3518 9.1991 124.6915 50.7528 23.4904 174.2276 453 Q 5.4282 9.3529 116.2316 55.8674 32.8081 173.6584 454 N 5.1395 9.0321 116.1329 52.5008 40.3250 174.6043 455 E 4.1920 9.2178 117.2407 59.2499 29.8826 177.9728 456 N 4.6392 9.4557 117.0387 54.4211 40.0180 174.2044 457 G 3.8550 7.3027 106.7067 44.6012 0.0000 171.7354 458 L 4.9715 8.3857 125.6716 54.1470 44.2915 176.1484 459 Y 5.2432 9.2819 122.3920 56.2720 41.9665 174.4286 460 I 5.1076 9.2388 124.1602 59.6104 40.8499 174.6132 461 I 5.1170 8.7931 126.6955 59.5056 41.2427 174.4189 462 D 5.1413 8.9892 127.1293 53.4684 40.9661 176.7507 463 Q 3.9556 8.7771 126.7862 59.4567 28.4984 178.2451 464 H 4.4063 8.1425 118.1661 58.4736 28.8480 177.4971 465 A 4.0428 8.1986 121.9899 54.9654 18.2929 179.4303 466 A 3.9645 8.3548 119.7736 55.4249 18.3988 179.9232 467 Q 3.9987 8.0962 116.5723 59.0751 28.6694 178.8596 468 E 4.0621 8.2588 119.8110 59.2501 29.5353 179.2462 469 R 3.9862 8.0954 118.9350 59.2714 29.9688 178.7873 470 I 3.7745 7.7868 119.6938 64.4046 37.2229 178.6107 471 K 4.1683 8.4619 119.5184 59.1795 31.7748 178.8764 472 Y 4.8081 8.2832 121.5797 60.5401 38.7195 178.1337 473 E 3.7467 8.1618 118.5079 58.7293 29.4928 178.9262 474 Y 3.7698 7.3892 118.7887 60.7718 38.8678 177.6244 475 F 3.7904 7.9809 118.5891 60.0552 38.7852 177.8258 476 R 3.6052 8.0586 118.2600 58.9256 29.9452 178.0343 477 E 3.8474 7.2933 118.6985 59.0958 29.2896 178.4579 478 K 3.1145 6.9602 118.2715 59.5213 31.5722 179.3568 479 V 3.9118 7.4304 117.5496 65.7574 31.5677 178.0410 480 G 3.7230 7.8194 104.4075 47.7193 0.0000 173.8069 481 E 4.6093 7.6980 118.8946 55.1141 30.2934 174.9412 *484 P 4.2788 0.0000 0.0000 62.7773 32.0124 176.4383 485 E 4.4641 8.5424 125.2316 55.3272 28.3186 175.5440 486 V 4.4759 7.7534 115.5546 60.3279 33.6412 174.8457 487 Q 4.6144 8.8433 121.4506 54.2518 32.5523 173.2891 488 E 4.7476 8.3969 119.8048 54.9370 30.9257 175.5437 489 M 4.2872 8.5575 127.2246 55.1624 32.6746 176.7492 490 I 3.7427 8.5935 124.9324 63.6451 37.4303 176.2095 491 V 4.1839 7.3114 120.2750 59.7285 31.5984 172.8663 492 P 4.5967 0.0000 0.0000 62.4646 32.2402 175.4230 493 L 4.7146 8.6102 121.3218 53.0578 44.9249 175.6265 494 T 4.7648 7.8177 111.1109 59.8245 71.2690 172.9745 495 F 4.8644 9.4303 124.5661 55.7621 42.2496 173.8683 496 H 5.3066 8.6015 120.1346 54.3986 30.5078 172.9722 497 Y 5.0902 8.6850 120.8521 55.5853 41.5914 175.7635 498 S 4.4936 9.0856 116.0079 58.2088 64.0465 175.5934 499 T 4.1939 8.5055 118.2913 66.1972 68.0517 176.3964 500 N 4.3507 8.1033 118.4134 56.6717 39.1118 176.6780 501 E 3.8586 8.0487 119.8292 59.4713 29.6168 178.9347 502 A 4.1682 8.1498 120.7648 55.3912 18.3268 179.5643 503 L 3.9313 7.6796 118.6041 58.4383 42.0245 179.1230 504 I 3.7272 7.4318 118.3707 64.3929 37.2357 178.1611 505 I 3.6625 7.7649 120.5238 64.5069 36.6487 178.1552 506 E 3.9923 8.1579 119.2686 59.7562 29.0985 179.4040 507 Q 4.2492 7.9280 116.2952 57.8226 28.9445 176.5765 508 H 5.4771 7.9338 115.3232 53.9311 30.3440 175.0400 509 K 3.7514 7.9055 121.9589 60.0122 31.9267 178.5196 510 Q 4.1692 8.0226 118.9106 59.3068 28.6094 177.8212 511 E 4.0297 8.1196 119.1857 59.2127 29.4615 179.2121 512 L 3.8217 8.2860 119.5874 57.8415 41.6606 179.3207 513 E 3.7105 8.1210 119.8490 58.7119 29.1289 179.1377 514 S 4.1632 7.7704 112.1735 60.9406 62.3831 175.7877 515 V 4.4567 7.1629 111.6756 60.8465 31.6924 176.4858 516 G 3.4582 7.9249 107.1392 45.0057 0.0000 173.6158 517 V 3.9159 7.5967 120.4528 61.1532 31.7818 174.9005 518 F 5.0656 8.2061 127.2042 55.5957 38.6271 173.4094 519 L 4.6268 8.1180 123.4827 54.1466 42.8473 175.6177 520 E 4.8570 9.5369 123.9087 54.2999 32.0314 175.6636 521 S 4.1030 9.1463 120.0505 58.8297 63.2858 175.0752 522 F 4.8353 8.6472 126.3328 56.3931 39.1621 173.4950 523 G 3.6248 7.7795 108.3614 44.0512 0.0000 170.8115 524 S 4.1979 8.3215 113.0102 58.9681 63.7782 173.9632 525 N 4.3979 8.9899 120.6821 54.0240 36.0950 173.3859 526 S 5.1693 7.2036 110.4506 57.5150 67.8743 172.8949 527 Y 5.5821 9.3993 119.7038 56.4393 42.8233 174.1481 528 I 4.9587 9.3008 114.6900 59.1336 41.3244 174.6441 529 V 4.7292 8.7751 124.2461 61.7674 33.4355 175.6849 530 R 4.6558 8.8002 126.5701 56.4654 32.0268 175.1819 531 C 5.1288 7.4484 112.5736 57.4876 33.2341 172.1130 532 H 4.4196 8.1597 112.8678 54.3353 31.6497 172.0993 533 P 4.3690 0.0000 0.0000 62.3559 31.4760 177.9158 534 A 4.1222 9.1099 127.4843 54.7167 18.4681 178.6790 535 W 4.8312 7.4973 110.4247 56.8669 28.6888 176.6148 536 F 4.5001 7.7415 118.4477 56.9698 39.1060 173.2580 537 P 4.4043 0.0000 0.0000 62.7045 31.3918 176.2347 538 K 4.3867 8.1099 122.7872 57.3423 32.4194 177.8109 539 G 4.0438 9.0530 110.8049 45.8709 0.0000 173.8160 540 E 5.4957 7.8602 116.6653 54.6568 30.9755 177.5156 541 E 4.0777 8.4480 121.4102 59.4327 29.4104 178.9897 542 A 4.1301 7.9372 120.1802 55.3518 18.6290 179.3788 543 E 3.9521 8.1454 116.6411 59.3290 29.4918 179.2628 544 L 3.8326 7.8306 120.0134 58.2256 42.2251 178.7618 545 I 3.7426 7.9080 119.8623 64.7828 37.1571 178.0563 546 E 3.7923 8.3175 119.7728 59.0604 29.5122 178.4126 547 E 3.9747 8.1834 119.5957 58.9183 29.4996 178.9094 548 I 3.6708 8.0384 120.4257 64.2265 37.2000 178.2086 549 I 3.5401 7.4831 120.6290 64.5679 36.9372 178.1217 550 Q 3.9035 8.0074 120.0992 59.3740 28.8835 178.3503 551 Q 4.0127 7.9185 120.0390 58.8359 28.9330 178.4699 552 V 3.4452 7.3138 119.5178 65.8218 31.3834 178.0059 553 L 3.8769 7.5953 117.3945 57.9440 41.5303 178.8853 554 D 4.4793 8.2132 118.0015 57.5721 40.8147 178.7582 555 S 4.1887 7.7417 114.0948 59.2412 62.9943 175.3354 556 K 4.3741 8.4436 124.7666 56.3722 31.2426 176.2719 557 N 5.0127 7.7676 114.2085 51.3873 41.4937 173.5852 558 I 4.5727 8.2871 122.5454 58.3191 41.3574 174.5687 559 D 4.6506 8.4938 125.9568 53.6065 43.3678 176.9352 560 I 3.6919 8.2350 124.0011 64.2457 37.7298 178.3982 561 K 3.9998 8.0297 119.2644 59.1645 31.8177 179.3187 562 K 3.9630 7.9173 119.4712 59.2592 32.3205 178.3951 563 L 3.9140 8.2129 121.0142 58.2862 41.9697 178.9362 564 R 3.9228 8.3100 118.3069 59.3988 30.0728 178.6662 565 E 4.0819 7.9176 118.3703 59.4445 29.7297 178.6512 566 E 3.9701 8.7095 118.8160 59.3565 29.5371 179.2934 567 A 3.9404 8.7241 120.8947 55.0979 18.2474 179.5163 568 A 3.9805 8.0226 118.2712 55.3311 18.7272 179.6606 569 I 3.9184 8.0331 118.3054 64.9335 36.7372 178.5627 570 M 4.0457 8.1205 119.3969 58.6444 31.8481 178.6957 571 M 3.3923 7.7148 118.6461 57.8410 31.9505 178.8427 572 S 4.5017 7.8415 115.4707 61.4291 62.8294 176.0308 573 C 4.4345 7.5032 117.9133 60.6894 29.1656 174.6194 574 K 4.2209 7.0477 120.2437 54.8874 30.3248 176.4942 *580 N 4.5667 7.8059 123.6311 52.7443 40.1914 175.0670 581 R 4.4359 7.8942 118.0365 54.9561 31.2814 175.0073 582 H 4.3843 8.9080 123.3848 55.6163 29.3438 174.6734 583 L 4.8777 8.1937 124.2399 53.1338 43.5830 177.2403 584 R 4.2930 8.4744 121.6775 55.7389 32.1709 177.9479 585 N 4.4519 8.6126 117.2157 56.3656 38.4194 177.5375 586 D 4.3690 8.0501 120.3943 56.5794 39.6609 178.3017 587 E 3.9545 8.1653 119.6491 59.1301 29.3749 179.3192 588 I 3.7420 7.7618 119.9481 63.9902 37.1596 178.3136 589 K 3.8591 8.2773 120.4050 59.5389 32.0800 178.6706 590 A 3.9705 8.1305 121.0655 54.9689 18.2075 179.3416 591 L 3.8587 8.0066 118.7689 58.4416 42.2039 179.3324 592 L 3.9473 8.2002 119.1529 57.5821 41.2204 179.3493 593 D 4.2495 7.9228 118.2657 57.5586 40.6411 178.0979 594 D 4.4512 8.1196 119.3444 57.2468 40.7467 178.7836 595 L 3.8945 8.0764 120.9420 58.1301 41.9340 178.9669 596 R 3.8098 7.8811 117.6204 58.8726 29.9727 177.7681 597 S 4.4061 7.4476 111.7488 58.6975 63.7904 174.7028 598 T 4.2368 6.8281 112.7268 61.4164 69.1627 174.9246 599 S 4.2503 8.9931 119.1787 61.0813 63.0451 174.5991 600 D 4.7141 7.7730 118.4308 51.6999 40.8482 172.8429 601 P 4.2498 0.0000 0.0000 64.1677 32.0560 177.7163 602 F 4.7464 7.8698 115.9689 58.5640 39.6130 175.4084 603 T 5.0695 7.6219 116.1944 61.5337 71.5680 173.6133 604 C 4.4837 8.7622 120.6212 56.5432 30.8677 172.8591 605 P 3.8756 0.0000 0.0000 64.8377 30.7441 176.9982 606 H 4.5491 7.9195 113.4024 55.2778 29.6724 175.5323 607 G 4.0630 8.2547 107.5848 44.9913 0.0000 173.9925 608 R 4.2436 7.7728 119.5032 54.6083 31.0092 174.3088 609 P 4.8151 0.0000 0.0000 63.2544 32.1951 176.0039 610 I 4.3648 8.9713 122.6547 62.0632 39.6003 175.5044 611 I 4.9734 7.8538 121.6993 59.6409 39.8484 175.2467 612 I 4.4569 9.0606 128.9148 60.1012 39.2413 174.4694 613 H 5.0226 8.6140 124.9739 54.6123 32.7538 172.2584 614 H 4.9701 8.6109 123.2382 53.6036 30.9173 174.0322 615 S 5.2674 8.9135 118.5736 57.5209 63.9691 175.6842 616 T 3.8768 8.7721 117.4365 67.2084 68.0365 175.8760 617 Y 4.0209 8.0121 120.3722 60.9622 38.8686 177.6624 618 E 4.0194 8.2182 119.1597 59.5651 29.2600 179.5473 619 M 4.0579 7.7111 117.8988 58.2334 32.5779 178.0467 620 E 4.1577 8.1900 118.7186 59.2534 29.5750 179.0879 621 K 3.6003 8.1867 120.0756 59.8007 32.0229 178.6382 622 M 3.9667 7.4311 115.5156 57.3332 31.1002 177.2275 623 F 4.6245 7.5746 116.5863 57.4316 39.8357 175.7752 624 K 4.2092 7.9446 123.3745 56.4143 32.0797 176.1126 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 435 R 8.25 4.29 0.00 1.85 1.82 0.00 3.22 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 436 V 8.04 4.20 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 0.85 0.00 0.00 0.70 0.00 0.00 437 P 0.00 4.33 0.00 2.09 2.03 0.00 3.87 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 1.84 2.04 0.00 438 I 8.09 3.69 1.66 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 1.36 0.44 0.57 0.00 0.00 439 M 7.82 4.51 0.00 1.29 1.71 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.21 0.00 440 Y 8.58 4.73 0.00 3.01 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 0.00 441 P 0.00 4.60 0.00 1.98 2.02 0.00 3.77 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 2.19 2.14 0.00 442 I 10.28 4.22 2.02 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 1.24 0.65 0.96 0.00 0.00 443 G 6.91 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 0.00 0.00 0.00 444 Q 7.86 4.86 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.60 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 445 M 8.78 4.71 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.61 0.00 446 H 9.79 3.93 0.00 3.37 3.49 0.00 5.85 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 447 G 8.00 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 0.00 0.00 0.00 448 T 8.03 4.41 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 1.19 0.00 0.00 449 Y 7.83 5.32 0.00 2.91 2.82 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 0.00 450 I 9.12 4.86 1.92 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 1.25 0.69 0.95 0.00 0.00 451 L 9.04 5.28 0.00 1.70 1.61 0.96 0.58 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 0.00 0.00 452 A 9.20 5.35 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 0.00 453 Q 9.35 5.43 0.00 2.36 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.39 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 454 N 9.03 5.14 0.00 3.00 3.09 0.00 0.00 7.31 7.65 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 0.00 455 E 9.22 4.19 0.00 2.07 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 2.40 2.43 0.00 456 N 9.46 4.64 0.00 3.08 2.96 0.00 0.00 6.78 7.48 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 0.00 457 G 7.30 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 0.00 0.00 0.00 458 L 8.39 4.97 0.00 1.78 1.49 1.03 1.19 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 0.00 459 Y 9.28 5.24 0.00 2.94 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 0.00 460 I 9.24 5.11 1.87 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 1.24 0.64 0.90 0.00 0.00 461 I 8.79 5.12 1.93 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 1.15 0.62 0.98 0.00 0.00 462 D 8.99 5.14 0.00 2.88 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 463 Q 8.78 3.96 0.00 2.27 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.61 0.00 0.00 0.00 0.00 0.00 2.34 2.08 0.00 464 H 8.14 4.41 0.00 3.10 3.35 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 465 A 8.20 4.04 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 0.00 466 A 8.35 3.96 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 0.00 467 Q 8.10 4.00 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 468 E 8.26 4.06 0.00 2.23 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 2.38 2.53 0.00 469 R 8.10 3.99 0.00 1.96 2.16 0.00 3.36 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 470 I 7.79 3.77 2.01 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 1.50 1.10 0.88 0.00 0.00 471 K 8.46 4.17 0.00 2.03 2.19 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.46 1.60 7.81 472 Y 8.28 4.81 0.00 3.17 3.24 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 0.00 473 E 8.16 3.75 0.00 2.05 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 2.38 2.66 0.00 474 Y 7.39 3.77 0.00 2.89 2.83 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 0.00 475 F 7.98 3.79 0.00 3.10 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 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3.45 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 0.77 0.00 0.00 0.87 0.00 0.00 553 L 7.60 3.88 0.00 1.73 1.65 0.79 0.74 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 0.00 554 D 8.21 4.48 0.00 2.76 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 0.00 555 S 7.74 4.19 0.00 3.95 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 556 K 8.44 4.37 0.00 1.89 2.00 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.51 7.81 557 N 7.77 5.01 0.00 2.65 2.70 0.00 0.00 6.56 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 558 I 8.29 4.57 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.84 0.81 0.00 0.00 559 D 8.49 4.65 0.00 2.84 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 560 I 8.24 3.69 1.88 0.00 0.00 0.88 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 1.40 0.92 0.00 0.00 561 K 8.03 4.00 0.00 1.96 1.86 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.60 7.81 562 K 7.92 3.96 0.00 1.83 1.95 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.49 7.81 563 L 8.21 3.91 0.00 1.85 1.78 0.88 0.89 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 0.00 564 R 8.31 3.92 0.00 1.95 1.99 0.00 3.19 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 565 E 7.92 4.08 0.00 2.12 2.14 0.00 0.00 0.00 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 2.45 0.00 566 E 8.71 3.97 0.00 1.96 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 2.56 2.47 0.00 567 A 8.72 3.94 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 0.00 568 A 8.02 3.98 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 0.00 569 I 8.03 3.92 2.03 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.91 0.88 0.00 0.00 570 M 8.12 4.05 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.66 0.00 571 M 7.71 3.39 0.00 0.51 1.45 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.01 0.00 572 S 7.84 4.50 0.00 4.14 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 0.00 573 C 7.50 4.43 0.00 2.80 2.97 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 0.00 0.00 0.00 574 K 7.05 4.22 0.00 1.72 1.90 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.54 7.81 *580 N 7.81 4.57 0.00 2.76 2.90 0.00 0.00 7.10 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 581 R 7.89 4.44 0.00 1.79 1.84 0.00 3.25 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 582 H 8.91 4.38 0.00 3.17 3.26 0.00 5.75 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 583 L 8.19 4.88 0.00 1.62 1.57 0.94 0.98 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 0.00 584 R 8.47 4.29 0.00 2.11 1.86 0.00 3.14 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 585 N 8.61 4.45 0.00 2.83 2.89 0.00 0.00 6.56 8.08 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 0.00 586 D 8.05 4.37 0.00 2.95 2.93 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 0.00 587 E 8.17 3.95 0.00 2.22 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 2.41 0.00 588 I 7.76 3.74 2.06 0.00 0.00 0.88 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 0.96 0.92 0.00 0.00 589 K 8.28 3.86 0.00 1.98 1.98 0.00 1.50 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.50 7.81 590 A 8.13 3.97 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 0.00 591 L 8.01 3.86 0.00 1.86 1.84 0.89 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 592 L 8.20 3.95 0.00 1.77 1.60 0.86 1.20 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 0.00 593 D 7.92 4.25 0.00 2.79 2.68 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 0.00 0.00 0.00 0.00 594 D 8.12 4.45 0.00 2.80 2.68 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 0.00 0.00 0.00 0.00 595 L 8.08 3.89 0.00 1.78 1.75 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 596 R 7.88 3.81 0.00 1.80 2.05 0.00 3.22 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 597 S 7.45 4.41 0.00 4.04 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 0.00 598 T 6.83 4.24 4.56 0.00 0.00 0.00 0.00 0.00 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 0.00 599 S 8.99 4.25 0.00 4.01 3.97 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 0.00 0.00 0.00 600 D 7.77 4.71 0.00 2.59 2.54 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 0.00 0.00 0.00 0.00 601 P 0.00 4.25 0.00 1.17 1.89 0.00 3.37 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 2.05 0.00 602 F 7.87 4.75 0.00 3.13 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 0.00 603 T 7.62 5.07 4.55 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 1.27 0.00 0.00 604 C 8.76 4.48 0.00 3.08 3.08 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 0.00 605 P 0.00 3.88 0.00 1.59 1.15 0.00 3.56 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.62 0.00 606 H 7.92 4.55 0.00 3.10 3.29 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 607 G 8.25 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 0.00 0.00 0.00 608 R 7.77 4.24 0.00 1.92 1.88 0.00 3.14 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 609 P 0.00 4.82 0.00 2.08 2.03 0.00 3.68 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 2.05 2.14 0.00 610 I 8.97 4.36 2.08 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 1.27 0.77 0.94 0.00 0.00 611 I 7.85 4.97 2.18 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 1.43 0.71 1.16 0.00 0.00 612 I 9.06 4.46 1.83 0.00 0.00 0.88 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 0.95 0.80 0.00 0.00 613 H 8.61 5.02 0.00 2.99 3.08 0.00 5.86 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 614 H 8.61 4.97 0.00 2.96 3.07 0.00 5.68 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 615 S 8.91 5.27 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 0.00 616 T 8.77 3.88 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 1.30 0.00 0.00 617 Y 8.01 4.02 0.00 3.09 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 0.00 618 E 8.22 4.02 0.00 2.13 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 2.45 2.60 0.00 619 M 7.71 4.06 0.00 2.15 2.28 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 2.90 2.58 0.00 620 E 8.19 4.16 0.00 2.04 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 2.33 2.61 0.00 621 K 8.19 3.60 0.00 1.07 1.68 0.00 1.52 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.28 1.26 7.81 622 M 7.43 3.97 0.00 1.93 1.79 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.60 0.00 623 F 7.57 4.62 0.00 3.14 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 0.00 624 K 7.94 4.21 0.00 1.82 1.69 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.57 7.81 * Residues marked with a * may have inaccurate shift predictions.