NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 417 K 4.1396 8.2993 119.9789 56.5373 33.3665 174.0611 418 L 3.9544 7.5152 120.0973 54.8027 40.9168 176.0085 419 F 4.2226 9.5318 114.7084 56.1482 39.4705 177.1559 420 I 3.8208 8.3462 125.8855 62.1991 37.4023 175.9984 421 T 4.8419 8.1453 115.8666 63.0971 71.2130 173.4287 422 E 4.5356 8.1001 121.1189 55.2796 33.0713 173.7628 423 G 3.8886 12.0000 108.6017 44.8863 0.0000 171.8047 424 Y 5.8175 7.4986 113.7493 56.7878 42.2193 174.4548 425 E 5.4139 8.4469 126.0710 56.3845 32.3047 175.9030 426 V 4.1996 7.8987 125.6591 62.1643 33.8623 175.7425 427 G 3.8759 9.1862 112.1052 44.7368 0.0000 172.8516 428 R 4.9868 7.5596 118.8428 54.6392 33.5861 173.9755 429 V 4.4421 8.5862 123.8435 62.0742 36.2179 173.3078 430 N 4.9122 8.6851 121.3455 50.9569 38.8856 173.7977 431 G 4.4548 8.3449 110.3973 45.6290 0.0000 170.2665 432 L 4.9288 8.8474 125.1630 54.3316 43.6052 175.6288 433 A 4.3274 8.0314 121.0666 52.3626 23.9364 175.5513 434 V 5.3429 7.3658 110.1630 61.0164 35.8375 175.7342 435 I 3.9276 8.4107 125.1975 61.3499 36.7489 174.7515 436 G 3.7040 7.9115 113.2735 45.7763 0.0000 177.4380 437 E 4.4388 7.4434 125.9175 55.1453 28.9841 177.6057 438 S 4.4719 8.9363 121.7528 56.8602 63.5712 173.8123 439 A 5.3083 7.7193 135.0000 52.6120 18.7095 174.6509 440 G 4.5174 7.5820 108.3338 44.2890 0.0000 170.1986 441 I 4.6780 8.3088 114.6792 59.0429 41.7494 173.7388 442 V 4.2405 7.9181 123.0521 61.4834 32.5796 175.3867 443 L 4.5172 8.6885 131.0012 52.5739 42.5542 173.5211 444 P 4.8634 0.0000 0.0000 61.9626 33.4614 175.3230 445 I 4.5819 8.2769 122.8052 60.5738 39.8969 175.0272 446 I 5.0150 8.5289 123.6669 59.9849 41.0037 174.2728 447 A 5.3169 12.0000 128.3000 50.2812 22.2609 174.7305 448 E 4.7894 9.1147 120.3282 54.7782 33.6192 174.2751 449 V 5.0784 8.5418 119.5824 59.6732 34.6331 175.1009 450 T 4.4878 8.9670 115.7965 59.2348 70.8472 171.3633 451 P 4.6195 0.0000 0.0000 62.9299 31.6146 176.2654 452 S 4.6828 9.0685 119.9193 56.7555 64.7040 174.2476 453 M 4.0866 8.4792 121.4435 58.7469 33.1683 176.7781 *457 E 4.4317 7.5961 115.7379 56.3188 32.9598 177.2396 458 G 4.5143 8.6807 117.4907 45.6087 0.0000 171.3389 459 R 4.8413 8.1395 114.4473 54.5135 32.8646 174.5554 460 V 4.1535 8.3579 121.1850 62.4183 33.1977 175.0408 461 I 4.6621 8.8624 126.5073 59.5540 40.1509 174.4071 462 A 5.0082 8.8276 126.9237 52.0218 22.2253 175.5984 463 T 4.5413 8.5381 109.9762 60.1133 71.4903 174.7045 464 G 4.0397 8.7123 105.7968 45.3733 0.0000 174.3539 465 R 3.9109 8.3590 117.4188 58.3824 30.1866 177.6812 466 L 4.7347 7.4594 117.8033 55.1004 41.0673 178.7086 467 Q 4.0772 8.1358 120.0082 60.7043 28.4720 177.3401 468 E 3.7744 8.3603 119.8967 58.9873 29.0958 179.2368 469 I 3.7240 7.7713 119.6459 64.1191 37.2091 177.5518 470 A 4.0602 8.5123 120.5533 56.0322 18.4662 179.4047 471 R 3.9321 9.3543 117.2576 59.8525 30.0526 178.8504 472 E 3.5070 8.9505 115.6398 58.9054 29.9754 179.3800 473 A 3.9351 8.8072 120.5285 55.4693 18.7205 179.9627 474 V 3.6209 7.8792 116.6774 65.9235 31.3396 178.0724 475 M 4.0394 7.9658 117.4286 58.8424 32.2282 177.2912 476 N 4.3922 8.3291 116.4320 56.6586 38.8700 177.0771 477 V 3.8891 7.6570 118.8543 63.5834 31.7535 178.2589 478 S 4.3523 7.9420 115.1638 61.3643 63.1201 175.3761 479 A 4.0161 7.9612 124.9040 54.5597 17.8891 179.2739 480 I 3.9357 7.7213 116.3912 64.4647 37.1796 178.1669 481 I 4.1818 7.4757 118.6712 63.6254 37.5013 178.1307 482 K 4.1323 8.3135 121.7687 58.9815 31.6976 177.1144 483 K 4.1792 7.9643 119.7476 58.5221 31.9821 177.5628 484 Y 4.2887 7.7352 118.2407 61.2982 38.9154 178.1209 485 T 3.7753 8.2333 120.4707 66.3005 69.1944 176.0004 486 G 4.3734 9.9073 106.4337 45.2893 0.0000 173.3333 487 R 3.9219 7.6594 120.9224 56.2172 30.5284 174.9377 488 D 4.9577 8.6516 125.8554 53.7479 41.6042 176.2072 489 I 4.4219 8.3004 117.7020 61.1423 38.0709 176.2219 490 S 4.6508 8.0586 114.8692 59.5056 63.7412 174.5310 491 N 5.2224 7.6679 117.4785 52.6780 39.9685 173.9496 492 M 4.6829 7.4934 113.6318 54.5158 33.3479 174.4768 493 D 4.7406 9.0289 124.8871 54.2896 42.8193 175.7754 494 V 4.5825 8.2246 120.4390 61.7825 35.1233 173.5993 495 H 5.2199 9.9824 126.8714 54.5179 30.2055 173.9171 496 I 4.6996 8.3336 124.9834 59.4805 39.5677 174.7299 497 Q 4.6009 8.5153 127.6555 54.4786 32.1940 174.1806 498 F 5.4537 8.9736 124.5360 55.9952 40.9368 175.0058 499 V 4.3664 8.5532 120.3192 62.2098 33.6516 176.4034 500 G 3.6135 8.8391 115.1523 45.1571 0.0000 172.7013 501 T 4.0518 7.3612 113.1244 60.5656 66.8772 173.2280 502 Y 5.0925 8.1015 126.2029 56.1821 40.9361 175.4977 503 E 4.4525 8.7739 123.6992 56.2751 33.1324 175.3932 504 G 3.8675 9.0599 111.5230 45.5912 0.0000 173.2775 505 V 3.7617 7.6681 112.8427 61.7384 31.9462 175.5753 506 E 4.1876 8.7706 126.4117 55.8140 30.0549 177.3284 507 G 3.9451 8.5900 112.1215 45.5466 0.0000 172.0594 508 D 5.0393 8.2942 119.5965 51.7504 42.3799 177.0997 509 S 4.0550 8.6885 118.0724 59.9933 63.5711 174.1157 510 A 3.5562 8.9572 124.7950 52.3201 16.3726 176.8532 511 S 4.9214 8.3789 115.1724 59.2890 63.4859 173.5247 512 I 3.7509 8.5880 123.3881 64.1736 37.0050 178.0706 513 S 4.0874 7.7263 115.9339 61.7723 62.6849 176.1745 514 I 3.5962 7.9188 121.3164 64.9862 36.9527 178.1411 515 A 4.1304 7.7104 120.1171 55.0971 18.0752 179.9502 516 T 3.7856 8.1192 114.5410 66.8692 68.7122 176.6840 517 A 3.9738 8.1054 122.7558 55.6594 18.2048 179.9306 518 V 3.6026 8.3304 116.7348 66.1692 31.6280 178.4271 519 I 3.8049 7.8151 119.6565 64.3491 37.0198 178.3726 520 S 4.3269 8.5614 114.2891 60.9360 62.2640 176.1990 521 A 3.9779 8.6304 124.1239 55.1697 17.9641 179.6849 522 I 3.7501 7.3017 116.4614 64.4210 37.4372 177.0624 523 E 4.1943 8.8169 117.4770 56.4310 29.4042 178.2143 524 G 4.1506 7.5317 104.5221 47.0341 0.0000 173.4805 525 I 4.7497 7.1923 122.1162 59.1201 41.5152 174.2990 526 P 4.7002 0.0000 0.0000 62.9471 33.2358 174.8468 527 V 4.9164 8.6884 120.4774 60.7025 33.5662 173.8922 528 D 3.3700 9.7814 127.6363 55.0953 41.6078 176.7100 529 Q 4.3430 8.5695 124.3948 56.4981 28.9342 177.2717 530 S 4.2054 8.3636 117.1245 60.7729 64.0715 174.2471 531 V 5.3515 7.5125 118.5433 60.7960 32.7622 175.5747 532 A 4.9690 8.0113 129.8672 51.6563 22.4692 174.4999 533 M 5.1772 9.0374 113.9430 56.3482 34.6832 173.9898 534 T 4.8560 8.3680 112.9549 60.1771 71.1991 172.8490 535 G 4.1472 7.7223 112.7271 46.5136 0.0000 170.9418 536 S 5.2429 7.8087 114.6842 55.6686 66.9912 173.3334 537 L 4.9922 8.7879 128.2851 53.5497 42.8786 176.3751 538 S 4.5685 8.4439 121.1822 57.1276 64.3151 175.5246 539 V 3.6698 8.3331 121.0005 65.0709 31.3653 176.5724 540 K 4.4387 8.1436 118.6209 56.2508 32.3276 176.3780 541 G 4.0242 8.2339 107.3072 44.8960 0.0000 174.1291 542 E 4.5125 8.2002 119.5216 56.4558 30.9712 176.3097 543 V 4.5036 8.5858 123.0213 61.4809 32.2486 175.4345 544 L 4.5857 9.1358 129.5699 53.1896 43.2598 175.1323 545 P 4.6775 0.0000 0.0000 63.4301 32.3116 175.5966 546 V 4.4852 9.0831 112.8856 59.6011 34.5387 175.4780 547 G 3.6644 8.4778 110.7176 46.5482 0.0000 174.1171 548 G 4.0485 8.7365 106.7534 45.4223 0.0000 176.0495 549 V 3.5899 7.2220 122.0039 65.1673 31.2530 178.0886 550 T 3.9621 7.7909 115.7865 66.3400 68.0560 176.4267 551 Q 3.9671 8.0162 118.9761 59.1922 28.5623 178.3600 552 K 3.8141 8.0208 120.3581 59.4923 32.2092 179.0991 553 I 3.6564 7.6862 119.4029 64.6176 37.0147 178.0779 554 E 4.0677 8.3479 118.6127 59.8221 29.2355 179.4810 555 A 3.9370 8.4507 120.6164 54.9952 18.5058 179.2959 556 A 4.0546 7.9701 117.9032 54.7747 18.2572 178.2142 557 I 4.1809 7.4142 117.0769 62.4822 37.7234 177.0711 558 Q 4.1995 8.0784 116.6119 57.7057 28.4549 177.0785 559 A 4.7991 7.6835 119.2752 51.3623 19.7128 176.9246 560 G 3.9953 8.6644 105.0234 46.6821 0.0000 174.0824 561 L 4.5652 7.6701 117.6852 53.2743 43.8663 177.5134 562 K 4.3069 8.6520 119.3775 58.9380 33.6304 177.9432 563 K 5.1478 7.9469 119.1064 55.1719 36.7694 175.5668 564 V 4.4677 8.4648 125.3442 60.9525 33.2687 175.5698 565 I 4.5379 8.9658 126.2797 61.0323 39.0966 174.8829 566 I 4.8102 8.0005 123.6624 59.3931 42.1407 172.6008 567 P 4.3841 0.0000 0.0000 63.1183 32.0154 177.4532 568 K 4.0849 8.9963 122.7642 59.5844 33.3350 176.8318 569 D 4.5031 7.9550 119.4590 56.0466 41.1962 176.8421 570 N 5.0415 7.7246 116.1009 52.1329 39.5991 176.6167 571 I 3.6335 8.2230 121.8413 64.7055 37.2114 177.2891 572 D 4.8061 8.0365 115.5972 53.7137 38.8624 176.2267 573 D 4.7577 8.0357 119.0894 54.4151 42.0400 176.3338 574 V 3.9373 7.5374 120.0406 62.5880 32.5961 176.0313 575 L 4.5956 7.2040 119.5277 54.5528 44.9268 174.2621 576 L 4.2978 7.6943 119.6609 53.9941 43.5533 177.8674 577 D 4.7079 8.2361 120.9856 52.4031 41.7330 176.4395 578 A 4.0967 8.5654 120.5393 55.1500 18.5808 177.8074 579 E 4.6239 8.2656 116.0199 56.5067 29.8467 175.8096 580 H 4.4100 7.6846 116.5656 56.1465 33.9452 174.6085 581 E 4.1228 7.9041 119.2230 58.3019 28.3772 176.2155 582 G 3.9249 9.0222 112.2471 45.6486 0.0000 172.6590 583 K 4.3737 7.6699 115.9092 55.1420 32.5866 176.1127 584 I 4.0823 6.8624 119.2918 60.6830 40.6184 172.3961 585 E 4.4631 8.1056 129.0798 54.9298 30.9024 174.6861 586 V 4.3130 8.3713 127.5648 61.8171 33.0142 174.9386 587 I 4.3845 8.2891 129.4506 58.6481 38.8953 173.2865 588 P 4.4970 0.0000 0.0000 63.2579 31.6754 176.0626 589 V 4.6884 8.6499 118.7549 59.5340 34.4229 176.7460 590 S 4.5799 9.1076 117.7691 58.5980 65.1888 174.3170 591 R 4.8184 8.7704 118.8992 53.4038 33.4531 175.7542 592 I 3.6219 8.4741 122.1020 64.7095 37.7809 178.0414 593 N 4.3869 7.8643 116.7693 56.0120 36.5694 176.5732 594 E 3.8339 7.6041 119.8805 59.1557 29.5441 179.1561 595 V 3.7122 8.2264 118.5183 65.9055 31.6010 178.1711 596 L 4.0431 7.9787 118.0031 58.3114 41.4380 179.3048 597 E 3.9430 8.3140 117.8344 59.4526 29.4205 178.8261 598 H 4.8881 7.5531 113.3920 55.4981 29.2543 175.0413 599 V 4.6142 8.3716 116.6006 62.3755 40.3000 173.5112 600 L 4.3199 8.2948 119.9462 55.3383 41.9182 177.4384 601 E 4.2329 9.0917 126.1531 56.7001 30.0407 175.3977 602 D 4.8956 8.5245 118.6415 52.8731 43.9187 175.1756 603 G 3.7635 7.5251 103.1303 44.3519 0.0000 174.4742 604 K 3.9302 8.9157 118.0565 59.3794 31.9143 179.2604 605 K 3.9993 7.8816 118.5662 59.5222 32.8181 178.9291 606 K 3.8431 7.9502 120.3638 59.3163 32.1130 178.0005 607 N 4.3931 7.9890 116.5427 56.4930 38.3110 177.2973 608 R 3.8175 7.6606 118.2056 59.2486 30.5295 177.8748 609 L 3.8860 8.2740 120.3065 59.0362 41.8745 178.0522 610 M 4.0058 8.6933 117.4793 58.8576 32.1942 178.4224 611 S 4.2196 8.3031 113.9866 61.8963 62.9470 176.6569 612 K 4.1607 7.7223 119.9057 57.2162 31.8030 176.9863 613 F 4.6026 8.3375 117.3400 54.7619 39.7960 175.8354 614 K 4.2595 8.9260 127.2818 57.8494 33.1236 176.6717 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 417 K 8.30 4.14 0.00 1.33 1.59 0.00 1.31 0.00 0.00 1.29 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.11 1.24 7.81 418 L 7.52 3.95 0.00 1.91 1.71 1.45 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 419 F 9.53 4.22 0.00 3.17 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 420 I 8.35 3.82 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 1.43 0.58 0.95 0.00 0.00 421 T 8.15 4.84 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 1.28 0.00 0.00 422 E 8.10 4.54 0.00 1.83 1.73 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 2.18 2.23 0.00 423 G 12.00 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 424 Y 7.50 5.82 0.00 2.72 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 0.00 425 E 8.45 5.41 0.00 2.15 1.85 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 2.16 2.08 0.00 426 V 7.90 4.20 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 0.96 0.00 0.00 0.96 0.00 0.00 427 G 9.19 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 0.00 0.00 0.00 428 R 7.56 4.99 0.00 1.79 1.76 0.00 3.28 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 429 V 8.59 4.44 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 0.87 0.00 0.00 1.02 0.00 0.00 430 N 8.69 4.91 0.00 2.91 2.75 0.00 0.00 6.67 7.95 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 0.00 431 G 8.34 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 432 L 8.85 4.93 0.00 1.56 1.54 0.89 0.96 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 0.00 433 A 8.03 4.33 1.04 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 0.00 434 V 7.37 5.34 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 0.91 0.00 0.00 0.88 0.00 0.00 435 I 8.41 3.93 1.85 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 1.30 0.56 0.94 0.00 0.00 436 G 7.91 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 437 E 7.44 4.44 0.00 1.95 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.23 0.00 438 S 8.94 4.47 0.00 3.80 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 0.00 439 A 7.72 5.31 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 440 G 7.58 4.52 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 0.00 441 I 8.31 4.68 1.56 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.38 0.83 0.00 0.00 442 V 7.92 4.24 1.58 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 0.74 0.00 0.00 0.72 0.00 0.00 443 L 8.69 4.52 0.00 1.37 1.35 0.97 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 444 P 0.00 4.86 0.00 2.21 2.11 0.00 3.83 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00 445 I 8.28 4.58 1.82 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.29 0.74 0.00 0.00 446 I 8.53 5.01 1.86 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 1.17 0.65 0.90 0.00 0.00 447 A 12.00 5.32 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 448 E 9.11 4.79 0.00 2.04 1.74 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 2.18 2.36 0.00 449 V 8.54 5.08 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 0.81 0.00 0.00 0.94 0.00 0.00 450 T 8.97 4.49 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 451 P 0.00 4.62 0.00 1.98 2.08 0.00 3.93 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 452 S 9.07 4.68 0.00 3.93 4.24 0.00 0.00 0.00 0.00 0.00 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0.00 472 E 8.95 3.51 0.00 2.26 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 2.33 2.40 0.00 473 A 8.81 3.94 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 0.00 474 V 7.88 3.62 2.24 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 0.99 0.00 0.00 1.02 0.00 0.00 475 M 7.97 4.04 0.00 2.18 2.08 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 2.62 2.59 0.00 476 N 8.33 4.39 0.00 2.86 2.91 0.00 0.00 6.80 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 0.00 477 V 7.66 3.89 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 0.97 0.00 0.00 0.97 0.00 0.00 478 S 7.94 4.35 0.00 4.08 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 0.00 479 A 7.96 4.02 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 0.00 480 I 7.72 3.94 1.99 0.00 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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 0.00 514 I 7.92 3.60 2.05 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.72 0.89 0.00 0.00 515 A 7.71 4.13 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 0.00 516 T 8.12 3.79 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 1.23 0.00 0.00 517 A 8.11 3.97 1.39 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 0.00 0.00 518 V 8.33 3.60 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 1.04 0.00 0.00 0.95 0.00 0.00 519 I 7.82 3.80 2.06 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.51 0.99 0.00 0.00 520 S 8.56 4.33 0.00 3.89 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 521 A 8.63 3.98 1.31 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 2.42 2.56 0.00 530 S 8.36 4.21 0.00 3.71 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 0.00 531 V 7.51 5.35 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.89 0.00 0.00 532 A 8.01 4.97 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 0.00 533 M 9.04 5.18 0.00 1.94 2.11 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 534 T 8.37 4.86 4.21 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 0.00 0.00 0.00 1.24 0.00 0.00 535 G 7.72 4.15 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 0.00 0.00 0.00 536 S 7.81 5.24 0.00 3.87 3.71 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 0.00 537 L 8.79 4.99 0.00 1.60 1.71 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 538 S 8.44 4.57 0.00 4.02 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 0.00 539 V 8.33 3.67 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 0.79 0.00 0.00 0.94 0.00 0.00 540 K 8.14 4.44 0.00 1.72 1.75 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.48 7.81 541 G 8.23 4.02 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 0.00 0.00 0.00 542 E 8.20 4.51 0.00 1.95 1.87 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 2.32 2.25 0.00 543 V 8.59 4.50 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 0.74 0.00 0.00 0.91 0.00 0.00 544 L 9.14 4.59 0.00 1.64 1.55 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 545 P 0.00 4.68 0.00 2.06 2.06 0.00 3.74 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 1.97 1.99 0.00 546 V 9.08 4.49 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 0.75 0.00 0.00 0.97 0.00 0.00 547 G 8.48 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 548 G 8.74 4.05 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 0.00 0.00 0.00 549 V 7.22 3.59 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 0.80 0.00 0.00 0.96 0.00 0.00 550 T 7.79 3.96 4.21 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 0.00 0.00 0.00 1.17 0.00 0.00 551 Q 8.02 3.97 0.00 2.20 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 552 K 8.02 3.81 0.00 2.09 1.88 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.61 7.81 553 I 7.69 3.66 1.96 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 1.22 0.91 0.00 0.00 554 E 8.35 4.07 0.00 1.95 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 2.10 2.31 0.00 555 A 8.45 3.94 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 0.00 556 A 7.97 4.05 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 0.00 557 I 7.41 4.18 2.08 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.20 0.90 0.00 0.00 558 Q 8.08 4.20 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.60 2.33 0.00 559 A 7.68 4.80 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 0.00 560 G 8.66 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 0.00 0.00 0.00 561 L 7.67 4.57 0.00 1.73 1.87 1.00 1.12 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 0.00 562 K 8.65 4.31 0.00 1.74 1.83 0.00 1.56 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.46 7.81 563 K 7.95 5.15 0.00 1.65 1.73 0.00 1.93 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.59 1.28 7.81 564 V 8.46 4.47 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 0.75 0.00 0.00 0.91 0.00 0.00 565 I 8.97 4.54 1.84 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 1.15 0.64 0.86 0.00 0.00 566 I 8.00 4.81 1.85 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 1.20 0.46 0.89 0.00 0.00 567 P 0.00 4.38 0.00 2.15 2.03 0.00 3.67 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.08 0.00 568 K 9.00 4.08 0.00 1.80 1.63 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.46 7.81 569 D 7.96 4.50 0.00 2.69 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 570 N 7.72 5.04 0.00 2.96 2.80 0.00 0.00 7.15 7.43 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 0.00 571 I 8.22 3.63 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 1.56 0.92 0.90 0.00 0.00 572 D 8.04 4.81 0.00 2.75 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 0.00 573 D 8.04 4.76 0.00 2.84 2.69 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 0.00 0.00 0.00 0.00 574 V 7.54 3.94 2.19 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 0.77 0.00 0.00 0.95 0.00 0.00 575 L 7.20 4.60 0.00 1.64 1.53 0.91 0.95 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 0.00 576 L 7.69 4.30 0.00 1.63 1.60 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 577 D 8.24 4.71 0.00 2.87 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 578 A 8.57 4.10 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 0.00 579 E 8.27 4.62 0.00 1.93 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 2.30 2.42 0.00 580 H 7.68 4.41 0.00 3.14 3.26 0.00 5.89 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 581 E 7.90 4.12 0.00 2.10 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 2.70 2.33 0.00 582 G 9.02 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 0.00 583 K 7.67 4.37 0.00 1.92 1.84 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.45 7.81 584 I 6.86 4.08 1.88 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 1.30 0.52 0.92 0.00 0.00 585 E 8.11 4.46 0.00 2.12 1.82 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 2.24 2.25 0.00 586 V 8.37 4.31 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 0.83 0.00 0.00 0.93 0.00 0.00 587 I 8.29 4.38 1.78 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.54 0.67 0.00 0.00 588 P 0.00 4.50 0.00 2.05 2.09 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 589 V 8.65 4.69 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 0.71 0.00 0.00 0.93 0.00 0.00 590 S 9.11 4.58 0.00 3.85 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 0.00 591 R 8.77 4.82 0.00 1.88 1.85 0.00 3.09 0.00 0.00 3.04 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 592 I 8.47 3.62 1.78 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 1.13 0.63 0.00 0.00 593 N 7.86 4.39 0.00 2.80 2.52 0.00 0.00 6.12 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 0.00 594 E 7.60 3.83 0.00 2.11 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 2.35 2.30 0.00 595 V 8.23 3.71 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 1.03 0.00 0.00 0.90 0.00 0.00 596 L 7.98 4.04 0.00 1.78 1.76 1.06 0.97 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 0.00 597 E 8.31 3.94 0.00 2.13 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 2.37 2.56 0.00 598 H 7.55 4.89 0.00 3.32 3.33 0.00 5.89 0.00 0.00 0.00 0.00 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 599 V 8.37 4.61 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 0.69 0.00 0.00 1.08 0.00 0.00 600 L 8.29 4.32 0.00 1.78 1.74 0.97 0.91 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 0.00 601 E 9.09 4.23 0.00 2.05 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 2.00 1.47 0.00 602 D 8.52 4.90 0.00 2.59 2.50 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 0.00 603 G 7.53 3.76 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 0.00 0.00 0.00 604 K 8.92 3.93 0.00 1.76 1.86 0.00 1.67 0.00 0.00 1.85 0.00 0.00 3.16 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.44 7.81 605 K 7.88 4.00 0.00 1.97 2.04 0.00 1.50 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.48 7.81 606 K 7.95 3.84 0.00 1.85 2.00 0.00 2.09 0.00 0.00 1.93 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.57 7.81 607 N 7.99 4.39 0.00 3.01 2.86 0.00 0.00 6.75 7.67 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 0.00 608 R 7.66 3.82 0.00 1.77 2.08 0.00 3.29 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 609 L 8.27 3.89 0.00 1.66 1.73 0.67 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 610 M 8.69 4.01 0.00 2.01 2.23 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 3.00 0.00 611 S 8.30 4.22 0.00 4.01 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 612 K 7.72 4.16 0.00 1.33 1.76 0.00 1.61 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.37 7.81 613 F 8.34 4.60 0.00 3.17 2.37 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 0.00 614 K 8.93 4.26 0.00 2.11 1.97 0.00 1.65 0.00 0.00 2.01 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.