NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 429 L 4.2417 8.1844 122.4935 53.0478 44.4737 175.4366 430 I 4.4039 7.3812 118.4448 58.7221 40.3855 174.6476 431 T 4.2041 10.1592 127.2072 63.0824 70.6720 174.6907 432 D 4.4505 8.9247 125.9972 57.8573 40.9071 179.1283 433 Q 3.9614 8.0954 119.3184 59.3052 29.0028 178.3747 434 S 4.0257 8.0682 114.6796 61.3509 62.6523 176.6678 435 R 4.2355 7.8427 120.8606 59.3037 30.2020 178.1259 436 E 4.1456 8.4614 118.6237 59.8777 29.5676 179.2352 437 E 3.8909 8.1625 118.0492 59.7147 29.3742 179.2305 438 F 4.1583 7.7572 119.0990 61.5461 39.3685 176.5074 439 D 4.3574 8.1809 117.1198 57.1137 41.3523 177.6748 440 I 4.2923 7.4988 110.5794 60.7969 38.3783 175.3598 441 L 4.4669 7.7648 120.5069 53.1799 42.8867 175.7558 442 R 4.6807 8.0373 121.6579 54.0974 33.3618 175.4194 443 Y 4.3769 8.5703 118.7721 57.7474 39.3078 176.9885 444 S 4.8038 8.7136 123.8959 58.3031 62.0455 175.1985 445 T 3.9262 8.0577 122.0407 67.1236 68.8599 176.5771 446 L 4.4257 7.9299 115.8204 55.6213 41.2854 177.2000 447 N 4.5572 8.3083 119.3728 54.6284 39.4189 174.8679 448 T 4.5931 7.2919 109.7482 60.3316 69.8756 173.0929 449 N 4.4133 8.7455 120.5252 52.0047 39.0320 175.3404 450 A 4.4100 7.5582 123.3087 51.0056 17.9361 176.6380 451 Y 4.6842 8.0427 117.6610 58.8643 38.6587 177.5373 452 D 4.4601 8.2223 119.9484 56.4337 41.0872 176.4061 453 Y 4.3616 7.8787 114.9880 57.4595 39.6231 175.3343 454 F 5.0495 8.4321 119.2327 56.2361 40.6570 175.6210 455 G 4.1819 9.8778 109.2687 46.6913 0.0000 173.3691 456 K 4.9462 8.8650 115.2398 55.9914 34.8867 176.0071 457 T 4.7991 7.9988 117.5496 61.4903 70.1400 173.7909 458 L 4.3181 8.4034 130.1757 54.9247 43.5058 174.9178 459 Y 4.9233 9.2291 124.7018 56.4125 40.1283 175.2786 460 V 5.1751 9.0235 117.4992 59.8551 36.1512 174.1252 461 Y 5.3325 8.9451 123.3524 56.0127 43.0951 173.8545 462 L 5.8191 7.6870 124.4770 53.2796 44.1115 174.4985 463 D 4.5630 8.8627 124.2456 52.8592 42.0075 174.6557 464 P 4.1479 0.0000 0.0000 65.1836 32.7788 177.2531 465 A 3.4248 7.5936 121.8771 51.3995 16.4584 177.1001 *472 A 4.3388 8.6106 114.2756 52.6668 20.5014 177.0876 473 S 4.7006 7.8159 108.2121 57.1878 64.5126 172.2864 474 G 3.4949 8.1867 105.9284 44.5781 0.0000 172.1020 475 T 4.9663 8.2491 117.0501 61.7131 70.7870 174.2014 476 G 4.5029 9.2287 113.6681 44.4474 0.0000 172.3335 477 V 5.1485 8.9851 123.1287 61.0125 35.2957 173.9412 478 A 5.2859 9.2009 128.2983 50.1303 22.8804 174.5058 479 A 5.2090 9.3471 123.2605 50.4019 21.8005 175.6148 480 V 4.9790 9.1799 115.4567 60.1649 36.2269 175.1379 481 G 4.9090 8.8424 108.2902 45.0848 0.0000 171.5187 482 A 5.5254 8.8999 121.4159 51.2692 21.3044 175.8368 483 Y 5.0532 8.7531 120.6372 56.8662 41.9023 175.1670 484 R 3.0695 7.8825 126.6095 58.0105 30.0672 176.6885 485 H 4.7655 8.2334 115.3641 57.3502 29.4606 174.2870 486 Q 4.5186 8.1011 116.7279 54.3666 34.1233 174.3030 487 F 5.8248 9.7422 119.5977 55.9894 42.1633 174.7993 488 L 5.1905 9.4623 124.1235 52.9516 43.8111 175.8261 489 I 4.2868 8.8137 126.5266 61.6093 37.7022 176.2833 490 Y 4.7499 9.2448 125.1957 58.5156 40.0879 175.9137 491 G 4.6173 7.8700 105.2826 45.0407 0.0000 172.1868 492 L 5.5013 8.7774 122.5374 52.9458 46.0648 175.4355 493 E 4.9269 9.4551 122.1240 54.9118 34.0505 174.2240 494 H 5.4815 9.1119 122.1031 54.7601 33.0624 172.3002 495 F 5.1097 9.0849 127.4136 56.5473 42.6563 173.3465 496 F 4.8388 8.1862 122.7407 55.6183 42.8941 173.6044 497 L 4.5866 7.9595 119.0694 53.2101 45.6779 176.3552 *502 E 4.3715 8.6864 117.2661 56.4720 31.3239 176.7992 503 S 4.5246 7.7379 113.0617 57.1708 63.6906 174.3574 504 S 4.2142 9.0060 124.1170 62.3523 62.6620 177.0883 505 E 3.9974 8.1522 120.2642 59.1350 29.2296 179.4437 506 V 3.6157 7.8776 118.3821 65.5977 31.5536 178.0235 507 A 3.8434 7.8935 119.9932 55.2280 18.2976 179.0944 508 I 3.5002 7.9089 118.2437 64.6885 37.1912 178.2833 509 A 4.0080 7.7553 120.5374 55.4750 18.3304 179.6511 510 E 3.8726 8.0689 116.9734 59.3591 28.9472 179.1158 511 C 3.9122 8.5783 119.1712 62.3097 31.5391 175.5882 512 A 4.0107 7.7591 122.2857 55.1031 18.0192 179.4775 513 A 3.9933 8.2356 119.4551 55.4590 17.9463 179.4133 514 H 4.1115 8.1869 116.8601 59.4288 29.9330 177.2263 515 M 4.2234 7.8487 119.2933 58.7117 32.0527 178.1229 516 I 3.6944 7.7238 119.9146 64.7035 36.8469 178.6034 517 I 3.6957 7.8042 119.9820 63.7974 36.7858 178.5866 518 S 4.2477 7.6960 115.1229 60.9017 63.1589 176.3089 519 V 3.5233 7.7381 120.8952 66.3003 31.0142 177.8566 520 L 3.7916 7.8269 117.2948 57.8732 41.4999 179.3601 521 S 4.1339 7.2799 110.9273 61.4652 62.5190 176.1156 522 L 4.2408 7.5970 119.4643 55.9364 42.2777 176.9207 523 H 4.3169 7.4444 115.8807 52.8273 29.1009 172.0821 524 P 4.2921 0.0000 0.0000 63.7877 31.7814 177.6301 525 Y 4.1100 6.8701 116.5821 58.7347 38.4576 176.0000 526 L 4.2944 6.6604 121.2339 55.0209 42.0807 176.6265 527 D 4.7826 9.0135 120.8914 52.9734 41.3159 174.4168 528 E 4.6182 7.9100 117.4864 55.7243 33.2876 173.6049 529 L 4.8207 8.3318 126.0153 53.0234 44.5550 175.4525 530 R 4.3457 8.2564 123.9516 54.3693 31.9082 175.4783 531 I 5.0694 8.1900 124.0634 59.2467 41.3770 174.5233 532 A 5.2036 9.2182 127.3941 50.2774 22.1421 174.9828 533 V 4.1576 8.5718 123.0111 60.7417 33.7591 174.1619 534 E 4.4323 7.9899 129.3373 56.5319 29.7039 176.7966 535 G 3.9773 9.0123 117.9870 45.2911 0.0000 174.7187 536 N 4.1828 8.3860 121.2122 55.9400 39.2158 175.7952 537 T 4.2991 7.7282 106.3451 62.8810 70.2534 174.7112 538 N 4.8782 7.5373 120.5738 50.3733 39.9806 173.8681 539 Q 3.3919 8.1843 121.5688 58.6036 28.1855 178.5499 540 A 3.8558 7.9187 121.6489 55.1916 18.3550 179.3133 541 A 3.8925 7.8480 117.8730 55.3263 18.5699 179.4918 542 A 3.9626 7.8192 118.8620 55.0904 18.2906 179.9064 543 V 3.5231 7.7324 116.9498 66.3853 31.6543 178.2960 544 R 3.8764 7.4831 117.1793 59.3842 29.9337 179.0623 545 I 3.6532 7.8625 119.1247 64.7789 37.1536 177.5877 546 A 3.9578 8.1852 121.0393 55.3956 17.9980 178.8459 547 C 3.5534 8.0286 115.2931 62.7044 31.7682 176.6202 548 L 4.0147 8.4389 120.4169 57.7377 41.0775 179.6286 549 I 3.7305 7.9942 119.7939 64.3613 37.1084 178.3396 550 R 4.0047 8.1447 119.3680 59.7505 29.5715 178.0123 551 Q 3.9381 8.1099 117.5877 59.5713 28.8816 179.8345 552 S 4.1348 8.1761 115.2901 61.7148 62.9258 176.9412 553 V 3.5919 7.9887 120.9018 66.2643 31.1209 177.7133 554 Q 4.5873 7.7936 116.1377 56.9469 28.7919 178.1504 555 S 4.2937 7.5535 116.0882 61.4584 63.0176 176.3644 556 S 4.2753 7.6738 116.2782 60.6154 63.0920 174.4352 557 T 4.4989 7.6090 114.4671 60.3849 70.3780 172.1670 558 L 4.4491 8.2346 128.3161 54.5002 42.1882 175.4303 559 I 4.3474 7.6437 124.2779 59.8334 41.2946 173.8725 560 R 4.1013 8.3670 125.2162 56.4446 31.0907 176.2916 561 V 4.3558 8.3129 122.3800 61.7560 34.5622 173.5185 562 L 5.3230 8.8778 128.5811 53.1440 44.7619 175.8230 563 F 5.4026 9.0004 119.1536 55.6236 43.2836 174.1680 564 Y 4.2139 9.5061 123.5728 58.3046 38.7599 174.6655 565 H 5.5852 9.0191 125.7519 53.9662 29.9337 175.0587 566 T 4.4714 7.3525 110.9815 58.5354 71.7412 171.7292 567 P 4.3748 0.0000 0.0000 63.2017 32.0363 176.2177 568 D 4.7523 8.8568 125.0745 53.4560 43.2656 175.8293 569 Q 3.9778 8.6471 117.8779 59.1887 29.2374 177.1028 570 N 4.6491 8.1540 113.6802 52.9089 38.8387 174.9813 571 H 4.1155 7.6318 114.2511 56.1442 26.4196 174.3649 572 I 4.5645 6.9281 118.7538 59.5110 42.0677 174.1368 573 E 4.4137 8.8264 129.3487 56.5509 30.1401 176.0674 574 Q 4.7898 8.4313 122.5703 52.7541 33.7872 172.7950 575 P 4.8954 0.0000 0.0000 63.6777 30.5411 175.7197 576 F 5.4051 7.7976 113.9394 56.3629 41.8167 173.2598 577 Y 4.8659 9.3127 122.9433 56.8525 40.1361 173.8708 578 L 5.1987 8.8529 129.5113 54.1209 42.8852 175.0554 579 M 4.9965 10.6600 127.3671 54.5547 34.2205 173.0583 580 G 4.1502 8.5217 117.7978 46.3946 0.0000 174.4482 581 R 4.0612 8.9203 125.5916 58.2133 31.6144 177.3978 582 D 4.5438 8.2729 117.7711 56.8082 40.8180 177.8812 583 K 3.6733 7.7245 120.6081 59.6215 32.0078 177.8593 584 A 3.9316 8.0182 120.0045 55.4309 18.2419 179.2082 585 L 3.8412 7.8882 116.1969 57.9970 41.7346 179.4637 586 A 3.2417 7.5412 120.4562 54.8625 18.1583 179.9693 587 V 3.4349 7.6672 116.4717 66.1250 30.4799 177.7944 588 E 4.0952 8.3783 118.3357 58.0337 29.3611 178.0509 589 Q 4.1401 7.6946 118.9689 59.0510 29.2179 176.8228 590 F 4.1352 8.3226 121.5608 61.7806 39.3879 177.0474 591 I 3.6292 8.1053 119.2449 64.5313 37.0092 178.0799 592 S 4.0805 7.6366 113.6625 61.6022 61.8512 176.3195 593 R 4.0611 8.5330 121.1209 59.1365 29.6354 178.9241 594 F 3.6565 8.9527 121.2371 61.3722 39.2241 177.0388 595 N 4.0682 8.3641 115.1535 56.0706 38.4081 176.5828 596 S 4.5824 7.7696 113.5085 56.9149 64.2393 172.8864 597 G 3.5221 8.3117 114.6983 45.7525 0.0000 172.5245 598 Y 4.6729 8.0816 119.6532 57.6388 42.6345 174.4977 599 I 5.3474 7.9000 119.8863 59.8299 38.5744 175.4970 600 K 5.0390 9.5177 126.2968 54.5151 36.3579 175.9112 601 A 4.7434 8.3475 124.8826 51.6782 20.1917 176.6506 602 S 5.1742 8.0686 114.6509 57.0238 64.8396 174.3950 603 Q 4.1870 8.8209 123.1483 58.2409 29.3614 177.2600 604 E 4.5749 7.3004 113.7284 55.9204 30.1692 175.8819 605 L 4.4788 7.8015 121.3098 56.0707 43.4359 176.0752 606 V 3.8606 8.6164 126.7002 62.3560 33.2906 175.1831 607 S 4.6614 7.8436 121.5193 58.6753 63.4472 174.0911 608 Y 4.2985 8.7505 124.4606 59.8803 38.3717 177.5428 609 T 4.3628 8.8805 110.1291 63.8306 69.9075 176.2838 610 I 3.8894 7.6956 123.1423 62.7801 37.6020 178.1620 611 K 4.0848 7.9846 120.8308 59.1185 32.0317 177.3021 612 L 4.4518 7.8272 115.9861 55.2283 41.8784 177.1183 613 S 4.4472 7.9070 112.8880 59.5750 65.8273 173.1090 614 H 4.9079 8.0143 114.3823 53.0702 32.8650 172.5103 615 D 4.6088 8.7187 119.2732 53.5134 41.7070 174.5866 616 P 4.2787 0.0000 0.0000 65.9129 31.4701 178.4463 617 I 3.8713 8.0029 117.8338 64.5300 37.2696 178.0298 618 E 4.0363 8.1356 119.2440 59.6184 28.2653 178.6395 619 Y 4.2661 8.3072 120.9743 60.0513 38.7414 177.9806 620 L 4.1066 8.4612 121.2969 58.3683 42.1113 178.8835 621 L 3.9749 8.2392 118.7695 57.9709 41.3953 179.2185 622 E 3.9318 8.0852 118.2141 59.2534 29.3855 179.1086 623 Q 4.1470 7.1878 117.6250 57.7323 29.4266 178.0296 624 I 3.5136 7.8301 121.2119 64.4836 36.9533 177.9880 625 Q 3.9062 8.3183 119.3553 58.9688 28.7420 177.8231 626 N 4.5708 7.4536 114.3462 52.2969 39.8110 175.1713 627 L 3.9236 6.7752 119.9735 55.7281 42.4321 176.3325 628 H 5.0358 8.0981 116.7403 54.5178 32.9001 173.9846 629 R 3.8149 8.5147 122.8944 60.4496 30.0842 175.8985 630 V 3.6129 7.8008 118.6313 62.8695 30.5937 169.1390 *646 N 4.7045 8.4832 122.7654 52.8562 40.2333 176.4745 647 R 4.3875 7.6935 122.3380 54.9337 28.9846 175.8430 648 I 4.4740 7.6058 115.1042 58.4100 38.0835 173.3286 649 S 4.1409 8.4701 122.6936 60.2464 63.2833 174.1286 650 D 4.8804 8.5981 122.7899 52.7193 40.4111 177.4319 651 D 4.3859 8.1491 121.4924 57.4628 40.6942 178.2400 652 L 3.8969 7.6018 120.4183 58.2009 42.2366 178.7277 653 I 3.5131 7.5154 118.0838 63.9094 37.9341 177.6124 654 I 3.4289 7.6537 120.4703 64.3540 36.9497 178.0599 655 A 4.0113 7.7542 120.9816 55.3617 18.2349 179.7412 656 V 3.4435 7.6691 116.5360 65.9784 31.4502 178.0621 657 I 3.3822 7.3605 119.2982 64.7741 37.2047 177.9028 658 M 3.9325 7.7248 118.7823 58.2469 31.4965 178.7184 659 A 4.0828 7.4959 119.3251 54.6985 18.5318 178.8626 660 T 3.8676 7.3835 106.6535 63.4155 69.2649 176.0829 661 Y 4.3818 8.0825 123.0417 60.1086 38.8116 176.5998 662 L 4.0446 7.6857 116.8330 56.1008 42.1008 177.5907 663 C 3.1074 7.4463 116.0861 61.2806 28.0405 173.4886 664 D 4.5612 7.1891 119.8847 54.0243 41.1875 177.2170 665 D 4.2052 8.5774 119.7269 57.5182 41.1002 179.1550 666 I 3.6117 7.7747 119.0320 64.2538 37.2671 176.3017 667 H 4.7953 7.6152 114.2849 55.3032 28.9490 176.2672 668 A 4.3835 7.9660 123.9018 54.2097 18.2265 178.3828 669 I 4.4460 7.5661 106.5963 60.6968 39.2155 176.7612 670 R 3.8140 7.9496 120.3786 57.7633 30.2310 175.9956 671 F 5.2406 7.7561 116.6765 57.0280 40.2709 175.1637 672 R 4.6265 8.9295 120.6239 54.8205 34.0451 173.9985 673 V 3.8645 8.6409 124.9193 63.8095 31.9609 175.7798 674 S 4.4378 8.3475 121.3396 58.5795 62.2349 173.4014 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 429 L 8.18 4.24 0.00 1.64 1.65 1.01 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 430 I 7.38 4.40 1.85 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.21 0.89 0.00 0.00 431 T 10.16 4.20 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 1.22 0.00 0.00 432 D 8.92 4.45 0.00 2.77 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 0.00 433 Q 8.10 3.96 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.89 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 434 S 8.07 4.03 0.00 3.79 4.14 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 0.00 0.00 0.00 435 R 7.84 4.24 0.00 2.05 2.20 0.00 3.24 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.08 0.00 436 E 8.46 4.15 0.00 2.17 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 2.55 0.00 437 E 8.16 3.89 0.00 2.09 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 2.26 2.29 0.00 438 F 7.76 4.16 0.00 2.92 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 439 D 8.18 4.36 0.00 2.80 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.50 4.29 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 1.81 0.66 0.90 0.00 0.00 441 L 7.76 4.47 0.00 1.63 1.41 0.82 0.55 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 0.00 442 R 8.04 4.68 0.00 1.69 1.74 0.00 3.13 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.42 0.00 443 Y 8.57 4.38 0.00 3.14 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 0.00 444 S 8.71 4.80 0.00 3.94 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 0.00 445 T 8.06 3.93 4.81 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 1.37 0.00 0.00 446 L 7.93 4.43 0.00 1.66 1.72 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 447 N 8.31 4.56 0.00 3.01 2.85 0.00 0.00 6.81 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 448 T 7.29 4.59 4.22 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 0.00 0.00 0.00 1.17 0.00 0.00 449 N 8.75 4.41 0.00 2.70 2.85 0.00 0.00 7.12 7.35 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 0.00 450 A 7.56 4.41 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 0.00 451 Y 8.04 4.68 0.00 3.12 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 0.00 452 D 8.22 4.46 0.00 2.41 2.46 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 0.00 453 Y 7.88 4.36 0.00 2.80 2.48 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 0.00 0.00 0.00 0.00 454 F 8.43 5.05 0.00 2.68 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 455 G 9.88 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 0.00 0.00 0.00 456 K 8.86 4.95 0.00 1.81 2.05 0.00 1.74 0.00 0.00 2.00 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.43 7.81 457 T 8.00 4.80 4.23 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 0.17 0.00 0.00 458 L 8.40 4.32 0.00 1.67 1.44 0.88 0.97 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 0.00 459 Y 9.23 4.92 0.00 3.08 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 0.00 460 V 9.02 5.18 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 0.68 0.00 0.00 0.96 0.00 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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 1.60 0.69 0.94 0.00 0.00 546 A 8.19 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 547 C 8.03 3.55 0.00 2.92 3.14 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 0.00 0.00 0.00 548 L 8.44 4.01 0.00 1.85 1.70 0.91 0.86 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 0.00 549 I 7.99 3.73 2.28 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 1.61 0.86 1.03 0.00 0.00 550 R 8.14 4.00 0.00 2.17 2.14 0.00 3.23 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.88 0.00 551 Q 8.11 3.94 0.00 2.42 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 552 S 8.18 4.13 0.00 4.04 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 0.00 553 V 7.99 3.59 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.91 0.00 0.00 0.99 0.00 0.00 562 L 8.88 5.32 0.00 1.61 1.76 0.89 0.89 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 0.00 563 F 9.00 5.40 0.00 3.00 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 0.00 564 Y 9.51 4.21 0.00 3.08 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 565 H 9.02 5.59 0.00 2.96 3.24 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 566 T 7.35 4.47 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 0.92 0.00 0.00 567 P 0.00 4.37 0.00 2.06 2.17 0.00 3.58 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.89 0.00 568 D 8.86 4.75 0.00 2.86 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 0.00 569 Q 8.65 3.98 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 7.24 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 570 N 8.15 4.65 0.00 2.69 2.83 0.00 0.00 7.08 8.41 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 0.00 571 H 7.63 4.12 0.00 3.22 3.31 0.00 5.85 0.00 0.00 0.00 0.00 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 572 I 6.93 4.56 1.88 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 1.34 1.14 0.89 0.00 0.00 573 E 8.83 4.41 0.00 1.85 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 2.25 2.21 0.00 574 Q 8.43 4.79 0.00 1.78 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.12 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 575 P 0.00 4.90 0.00 1.85 1.84 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.77 0.00 576 F 7.80 5.41 0.00 3.24 3.17 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 0.00 577 Y 9.31 4.87 0.00 3.08 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 0.00 578 L 8.85 5.20 0.00 2.07 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 595 N 8.36 4.07 0.00 2.71 2.88 0.00 0.00 7.15 7.11 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 0.00 596 S 7.77 4.58 0.00 4.03 3.94 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 0.00 597 G 8.31 3.52 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 0.00 598 Y 8.08 4.67 0.00 3.01 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 0.00 599 I 7.90 5.35 2.07 0.00 0.00 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 1.43 0.89 1.31 0.00 0.00 600 K 9.52 5.04 0.00 1.88 1.75 0.00 1.45 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.60 7.81 601 A 8.35 4.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 602 S 8.07 5.17 0.00 4.27 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 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0.00 651 D 8.15 4.39 0.00 2.82 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 652 L 7.60 3.90 0.00 1.60 1.62 1.16 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 653 I 7.52 3.51 1.70 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.88 0.81 0.00 0.00 654 I 7.65 3.43 1.80 0.00 0.00 0.80 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 0.46 0.78 0.00 0.00 655 A 7.75 4.01 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 656 V 7.67 3.44 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 1.07 0.00 0.00 1.03 0.00 0.00 657 I 7.36 3.38 1.67 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 -0.27 0.72 0.00 0.00 658 M 7.72 3.93 0.00 0.83 0.57 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.25 0.00 659 A 7.50 4.08 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 0.00 660 T 7.38 3.87 4.22 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 0.00 0.00 0.00 1.24 0.00 0.00 661 Y 8.08 4.38 0.00 3.06 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 0.00 662 L 7.69 4.04 0.00 1.77 1.95 0.89 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 663 C 7.45 3.11 0.00 2.47 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 664 D 7.19 4.56 0.00 2.54 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 665 D 8.58 4.21 0.00 2.78 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 0.00 666 I 7.77 3.61 1.48 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.34 0.84 0.00 0.00 667 H 7.62 4.80 0.00 3.42 3.37 0.00 5.65 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 668 A 7.97 4.38 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 0.00 669 I 7.57 4.45 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.60 0.94 0.00 0.00 670 R 7.95 3.81 0.00 1.17 0.81 0.00 3.13 0.00 0.00 3.03 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 671 F 7.76 5.24 0.00 3.04 2.98 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 0.00 672 R 8.93 4.63 0.00 1.80 1.59 0.00 2.76 0.00 0.00 2.96 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.50 0.00 673 V 8.64 3.86 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 0.83 0.00 0.00 0.96 0.00 0.00 674 S 8.35 4.44 0.00 3.96 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 * Residues marked with a * may have inaccurate shift predictions.