NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 431 D 4.5685 8.2114 119.5474 53.0551 42.7825 177.1102 432 G 3.7644 8.3101 105.0844 48.2965 0.0000 174.6791 433 R 4.2133 8.2828 123.7021 61.3432 29.7484 179.6563 434 L 4.5274 7.8341 122.4301 60.0305 40.8054 184.2062 435 R 4.4854 7.9505 120.7019 62.3953 29.4669 184.7651 436 V 4.1098 7.6448 117.8168 64.6930 32.3477 180.1914 437 L 4.4567 7.8102 120.3041 55.1135 42.4286 177.0616 438 K 3.7565 6.1799 122.8103 51.6391 33.6356 175.1307 439 P 2.9700 0.0000 0.0000 64.2828 30.8662 178.4796 440 E 3.8736 7.6198 114.3641 59.1455 29.3309 178.8098 441 W 4.3438 7.7430 119.2543 58.7252 29.1269 177.1899 442 F 4.9613 8.3538 116.8490 57.8531 39.7497 175.0532 443 R 4.8484 7.4384 118.3709 57.5290 29.5174 176.0146 444 G 3.9715 9.2753 114.1304 45.5577 0.0000 172.3355 445 R 4.7809 8.5174 119.2150 54.6100 33.4764 174.6727 446 D 5.3789 9.6209 120.8568 53.3100 42.4958 176.0625 447 V 4.9867 9.2126 123.8489 60.9398 34.5917 174.2950 448 L 4.3152 8.6436 129.7554 53.2470 44.2429 174.7061 449 D 5.0130 9.0919 128.2577 52.8240 41.8083 174.9769 450 L 4.0482 8.8103 127.4360 54.5334 42.2465 177.8389 451 G 3.9377 8.3935 112.2169 46.8127 0.0000 173.0651 452 C 4.3374 8.7021 113.3449 58.2179 31.9284 175.3825 453 N 3.8739 8.1395 119.2574 55.2954 37.8865 175.2902 454 V 3.6661 8.2928 108.6450 61.2181 31.8113 177.2131 455 G 4.1828 8.6501 111.3602 45.0484 0.0000 175.9107 *456 H 4.0446 8.2860 121.1118 59.7855 27.6581 181.4525 457 L 4.0475 7.8344 122.6468 58.1467 41.9136 178.6871 458 T 3.8711 7.9843 115.2359 66.9286 68.3158 176.2957 459 L 4.1176 8.5024 120.9230 57.8743 41.6063 179.6859 460 S 3.7920 7.9059 115.0776 61.4920 62.6750 176.9497 461 I 3.0247 7.6543 122.3426 64.0307 36.6035 178.1908 462 A 4.0382 7.5468 120.3962 56.0527 18.6192 178.5711 463 C 3.8227 8.1481 120.3137 62.1420 31.2261 176.2415 464 K 3.8651 8.0679 124.2088 56.7829 31.8019 180.0743 465 W 4.9407 8.3023 116.8971 55.3576 30.2541 175.6297 466 G 4.3718 7.7634 106.0186 46.1884 0.0000 171.4917 467 P 5.1013 0.0000 0.0000 62.3868 32.7401 177.4572 468 S 4.3697 8.4651 116.8207 61.5366 63.7671 173.5216 469 R 4.6086 7.6239 118.5129 55.0260 34.2101 173.2919 *471 V 4.1470 8.3012 118.5213 62.7658 33.0348 174.2830 472 G 4.4078 8.6840 116.1205 44.7416 0.0000 171.9322 473 L 5.4763 8.8287 128.1159 53.4876 45.0272 174.5977 474 D 4.9660 8.8200 123.7671 52.9930 44.5948 175.9447 475 I 4.0869 8.5814 123.1478 62.1581 38.5879 175.5582 476 D 4.8010 8.3415 120.6586 52.5576 42.3354 176.9110 477 S 4.2440 8.5973 123.0318 61.1109 63.2995 176.5522 478 R 3.8824 8.5520 122.6721 59.1645 29.7204 178.8599 479 L 3.9237 7.7730 118.1895 57.8603 41.7331 179.3089 480 I 3.4827 7.4658 119.4675 64.5607 37.0305 177.8482 481 H 4.0330 8.3081 118.9249 59.4788 29.7583 177.2716 482 S 4.0157 7.9509 114.2166 61.2183 61.8946 175.9784 483 A 3.9083 7.5245 124.4327 54.4940 18.0029 179.5661 484 R 4.0554 7.5564 115.6900 59.3496 30.5224 178.9972 485 Q 4.1505 7.8514 117.6588 58.1493 28.3884 176.7963 486 N 4.9865 7.5093 116.2592 52.8878 39.5091 174.4568 487 I 4.4993 7.0886 122.4531 59.9421 40.5212 176.0604 *539 V 3.9742 7.9048 117.3921 59.8524 32.7932 172.7438 540 P 4.6615 0.0000 0.0000 62.1408 31.8769 176.9033 541 L 4.0872 9.2903 122.5814 57.5487 41.8822 176.7510 542 D 4.3724 7.4059 115.2361 53.0597 41.6023 176.5182 543 G 3.6254 8.8764 107.0934 48.3863 0.0000 174.4129 544 A 4.0703 8.5003 121.7954 53.2099 18.7140 176.9831 545 D 4.7109 8.1872 116.5252 52.9202 40.3607 175.1945 546 T 4.6129 8.1758 115.7594 61.2220 69.1538 176.5322 547 S 4.5735 7.8195 115.9505 59.1556 64.0204 174.1316 548 V 4.5058 7.2814 120.7983 60.3127 34.1470 174.1730 549 F 4.9094 9.1436 127.2379 57.7620 39.5686 172.9779 550 P 3.2277 0.0000 0.0000 62.4898 31.3377 176.0160 551 N 4.4989 8.1546 116.1523 54.4584 38.8824 175.1859 552 N 4.9989 8.2175 115.1788 51.4800 37.9966 174.1884 553 V 4.6905 7.3532 117.7594 60.3543 34.2464 175.0887 554 V 4.5103 7.9374 114.9545 59.8373 36.5920 173.7818 555 F 5.4640 8.6786 119.5832 55.8791 42.3047 175.0176 556 V 4.5911 9.1671 121.7269 61.5288 35.2113 174.0626 557 T 5.0285 8.4739 123.4643 62.2742 69.6630 174.4198 558 G 4.0658 8.6468 112.9202 45.9057 0.0000 171.6636 559 N 4.8995 8.7796 120.8474 52.3030 38.9469 174.6430 560 Y 4.0865 8.7258 127.9258 59.4777 39.3000 175.4991 561 V 3.6002 7.6863 120.3288 61.8591 31.5290 175.3832 562 L 4.2984 7.8642 127.4039 53.9191 42.6095 177.0434 563 D 4.4826 8.5439 121.5078 56.6378 41.3493 177.4684 564 R 4.7594 7.4671 115.9805 53.5588 35.3991 175.9648 565 D 4.4112 8.5513 120.6690 57.4697 40.6563 178.8270 566 D 4.4131 7.9719 118.5962 56.0362 39.7201 178.3389 567 L 4.0527 7.7771 120.1262 57.7923 41.8230 179.0379 568 V 3.4713 7.4636 117.6973 66.1845 31.1484 177.0486 569 E 4.1965 7.8643 115.6518 57.4026 29.7022 177.3300 570 A 4.3391 7.9009 119.3750 52.7948 19.3992 177.0889 571 Q 4.1150 7.3906 119.7244 56.3135 29.4249 175.7864 572 T 4.6837 8.2834 116.2257 59.1750 71.5379 172.4468 573 P 4.7422 0.0000 0.0000 63.2073 31.5646 176.3013 574 E 4.5830 9.7269 119.7568 55.7855 32.8284 174.7591 575 Y 4.8223 7.9508 116.1116 56.3790 41.9637 175.6550 576 D 4.6752 9.3537 120.2948 55.2472 43.3167 176.9407 577 V 4.8869 7.7435 117.6717 61.0658 35.3348 173.9954 578 V 4.6751 8.6049 127.2901 61.0695 34.3904 173.9411 579 L 4.7474 9.1057 128.6154 53.9368 43.3093 175.3529 580 C 4.7440 9.3035 125.1754 56.9478 32.1434 170.3157 581 L 4.9004 8.2001 120.7355 52.6682 43.5483 176.2384 582 S 4.0069 8.8851 121.3787 60.1132 61.3685 173.6261 583 L 4.8549 7.9537 121.4870 56.1305 43.7906 176.5617 584 T 3.8730 8.1524 109.4197 64.8514 68.2192 175.9510 585 K 3.5303 7.8279 123.4307 58.4961 32.0742 178.9101 586 W 4.2564 7.7162 118.5921 59.6833 28.9639 178.5851 587 V 4.3738 8.0248 117.9919 66.1712 30.9576 177.5264 588 H 4.2882 8.6566 118.4345 59.4742 29.6425 177.3246 589 L 3.9695 8.2423 121.0524 57.8237 41.2776 179.0130 590 N 4.1335 7.7362 114.5214 54.5339 38.7236 175.9946 591 W 4.9730 7.9633 116.9336 55.1684 32.1880 176.2957 592 G 4.1893 8.5785 110.5360 44.5835 0.0000 174.1522 593 D 4.4941 8.9689 119.6825 58.2920 40.5969 179.8481 594 E 4.0829 8.2542 118.0139 61.2099 29.6477 181.2185 595 G 3.8747 7.9213 105.7017 47.4935 0.0000 175.2041 596 L 3.8248 7.7994 124.1958 58.3275 42.4193 179.5612 597 K 4.3705 8.1876 123.8472 59.5587 31.4265 180.1859 598 R 4.4224 7.5992 116.7417 56.9071 30.3139 178.6405 *600 F 5.1496 7.9929 119.1506 57.8899 41.1642 177.6191 601 R 4.0126 8.3082 120.1086 59.3089 29.7237 178.4567 602 R 3.8784 8.3355 118.8154 59.4358 30.0090 178.3331 603 I 3.9740 8.1204 119.1493 64.7928 36.9657 177.3376 604 Y 3.7858 8.0041 118.6317 60.9974 38.6726 178.4530 605 R 3.9792 8.0834 117.0795 59.0600 30.4240 178.0701 606 H 4.6706 8.5135 118.2195 57.6195 30.0138 174.7994 607 L 4.8334 6.9754 119.7992 54.2732 42.5995 177.2303 608 R 4.3226 8.7360 121.3659 54.6126 32.0062 174.1910 609 P 4.4072 0.0000 0.0000 63.9028 31.4479 177.0808 610 G 3.9151 9.0317 112.7807 44.9570 0.0000 173.7713 611 G 4.0545 8.2831 108.0302 46.0385 0.0000 172.7933 612 I 5.3311 8.8728 113.4420 58.7656 41.4653 173.8667 613 L 5.0614 8.8387 126.0639 53.3812 44.6773 175.0711 614 V 4.5288 8.8196 127.2490 61.5780 33.0462 174.0736 615 L 5.1941 9.2586 130.9350 53.4389 44.9576 174.8215 616 E 5.0954 8.9886 126.9406 52.7292 30.0343 172.6212 617 P 5.2428 0.0000 0.0000 61.1384 32.7952 175.8843 618 Q 4.3739 8.7184 121.4029 54.8640 29.8098 174.5819 619 P 4.6192 0.0000 0.0000 61.8055 32.4816 177.1875 620 W 3.9433 9.1175 130.8689 60.8154 30.5668 178.2487 621 S 4.2155 8.8046 116.4193 62.6265 61.4747 177.5898 622 S 3.9576 8.4928 116.6069 61.2731 62.4227 177.6487 623 Y 3.6204 8.4195 119.1185 61.0301 37.7512 178.7593 624 G 3.8250 7.4642 109.2756 49.1046 0.0000 174.6676 625 K 3.5828 7.3398 123.3164 56.5581 32.3687 179.6882 626 R 3.7872 8.6424 125.2502 57.0764 26.3118 173.3600 627 K 4.5052 7.6636 118.8457 55.9030 32.2840 180.2684 628 T 4.7228 7.7165 111.4709 61.9780 69.9730 179.0577 629 L 4.2555 8.2299 126.7438 58.5044 41.4880 181.6332 630 T 4.8058 7.4417 112.9163 61.6834 73.4650 179.8714 631 E 4.2104 8.7145 122.1174 61.3293 29.7219 180.4622 632 T 4.0660 7.8724 117.6732 67.5306 68.6022 177.3393 633 I 4.1399 7.6731 125.2722 65.3015 35.6390 180.1295 *634 Y 4.4527 8.0926 126.3288 62.0714 36.3062 181.4045 635 K 4.3184 8.3310 126.0742 59.3124 31.5978 180.6779 636 N 4.6873 8.0344 118.1108 57.0133 38.4677 177.4343 *637 Y 3.9289 8.0499 120.7610 60.5018 36.9600 179.7969 *638 Y 4.4428 7.4681 118.2831 58.5690 37.6117 179.7559 639 R 4.2219 7.4697 115.0191 58.6368 29.8482 181.8827 640 I 4.0048 7.9301 117.9559 62.4760 36.9824 175.4714 641 Q 4.4223 9.4606 125.9275 55.2952 29.3119 174.7639 642 L 4.5272 8.1429 120.4902 53.8155 42.9949 176.5596 643 K 4.4809 8.1621 127.6202 53.0501 33.0322 173.3243 644 P 2.0000 0.0000 0.0000 66.2823 30.8766 179.3458 645 E 3.9619 8.0695 117.6846 61.1893 29.6800 180.7967 646 Q 4.6505 7.7683 117.5471 57.3646 28.8221 181.5527 647 F 4.7505 7.7811 119.2393 61.8479 39.1743 177.5458 648 S 4.0665 8.0877 115.4877 62.3187 62.3759 177.2673 649 S 4.2209 7.8287 120.7631 62.9475 62.4125 177.0870 650 Y 4.4478 8.4551 123.5146 60.5389 38.6005 177.7895 651 L 3.8368 8.3812 120.2926 56.6600 41.2609 178.3959 652 T 5.2324 7.2848 108.3983 59.9190 69.5398 174.5240 653 S 4.5794 6.9291 116.9930 56.5347 64.6139 173.3862 654 P 4.1474 0.0000 0.0000 66.0827 31.2642 178.4911 655 D 4.3587 7.4497 115.4732 55.3903 39.4173 181.6600 656 V 3.8238 7.8144 117.2378 63.1010 32.7260 175.2723 657 G 2.6558 7.8488 111.2137 44.8087 0.0000 173.8901 658 F 4.2820 7.8074 122.8886 59.1509 39.3068 177.1584 659 S 4.4581 9.2417 126.7273 62.3846 62.8935 171.5239 660 S 4.9072 8.1746 114.8641 59.0522 66.6512 177.1940 661 Y 5.4545 8.1818 117.5921 59.2015 40.5662 174.1380 662 E 4.3807 7.9374 114.9296 55.2526 33.9554 173.7848 663 L 4.3999 8.4084 123.7063 55.1681 42.9613 175.1091 664 V 4.0851 8.4779 121.2557 64.8123 33.7655 176.4860 *676 R 4.2529 7.5270 117.1624 54.8409 30.8830 175.6697 677 P 4.4342 0.0000 0.0000 63.2377 32.2437 175.2947 678 V 4.7800 7.8161 118.8758 61.4461 34.7586 173.7315 679 Y 5.3176 9.5030 126.7309 56.8045 42.3622 174.8097 680 L 5.0979 8.7116 124.0501 53.1028 44.2057 175.7473 681 F 5.0449 8.9474 122.5529 55.0411 41.8610 174.0643 682 H 5.4560 9.4198 121.0101 54.1053 31.4097 173.4669 683 K 4.9224 9.0851 124.2103 54.3776 33.9382 175.4869 684 A 4.3977 8.9019 131.2865 53.0150 19.7695 178.3181 685 R 4.1391 8.4506 117.8263 56.3943 29.6808 175.9499 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 431 D 8.21 4.57 0.00 2.62 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 0.00 432 G 8.31 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 0.00 433 R 8.28 4.21 0.00 1.83 1.95 0.00 3.26 0.00 0.00 3.37 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 434 L 7.83 4.53 0.00 1.76 1.62 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 435 R 7.95 4.49 0.00 1.94 1.87 0.00 3.23 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 436 V 7.64 4.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.93 0.00 0.00 437 L 7.81 4.46 0.00 2.09 2.10 1.15 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 438 K 6.18 3.76 0.00 1.65 1.66 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 0.99 7.81 439 P 0.00 2.97 0.00 1.60 1.04 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.92 0.00 440 E 7.62 3.87 0.00 2.09 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 2.10 2.33 0.00 441 W 7.74 4.34 0.00 2.69 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 442 F 8.35 4.96 0.00 3.31 3.29 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 0.00 443 R 7.44 4.85 0.00 1.97 1.96 0.00 3.10 0.00 0.00 3.89 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.93 0.00 444 G 9.28 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 0.00 0.00 0.00 445 R 8.52 4.78 0.00 1.86 2.01 0.00 3.28 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.02 0.00 446 D 9.62 5.38 0.00 2.67 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 0.00 447 V 9.21 4.99 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 1.00 0.00 0.00 1.29 0.00 0.00 448 L 8.64 4.32 0.00 0.27 0.78 0.64 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 449 D 9.09 5.01 0.00 2.81 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 0.00 450 L 8.81 4.05 0.00 1.60 1.43 0.39 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 451 G 8.39 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 0.00 0.00 0.00 452 C 8.70 4.34 0.00 3.26 3.46 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 N 8.14 3.87 0.00 2.84 2.46 0.00 0.00 7.19 7.92 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 0.00 454 V 8.29 3.67 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.89 0.00 0.00 455 G 8.65 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 H 8.29 4.04 0.00 2.93 3.11 0.00 7.19 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 457 L 7.83 4.05 0.00 1.73 1.69 0.84 0.86 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 0.00 458 T 7.98 3.87 4.63 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 0.00 0.00 1.14 0.00 0.00 459 L 8.50 4.12 0.00 1.82 1.74 1.07 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 460 S 7.91 3.79 0.00 3.73 3.54 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 0.00 461 I 7.65 3.02 1.67 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.41 0.63 0.00 0.00 462 A 7.55 4.04 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 463 C 8.15 3.82 0.00 1.51 2.30 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 0.00 464 K 8.07 3.87 0.00 1.80 1.72 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.30 7.81 465 W 8.30 4.94 0.00 3.48 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 0.00 466 G 7.76 4.37 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 0.00 467 P 0.00 5.10 0.00 2.19 2.21 0.00 3.89 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.27 0.00 468 S 8.47 4.37 0.00 3.94 4.05 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0.00 0.00 0.00 2.43 2.40 0.00 486 N 7.51 4.99 0.00 2.81 2.82 0.00 0.00 6.79 8.02 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 0.00 487 I 7.09 4.50 1.89 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.81 0.89 0.00 0.00 *539 V 7.90 3.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.93 0.00 0.00 540 P 0.00 4.66 0.00 2.02 2.23 0.00 3.64 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.30 0.00 541 L 9.29 4.09 0.00 1.60 1.73 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 542 D 7.41 4.37 0.00 2.83 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 0.00 543 G 8.88 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 544 A 8.50 4.07 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 621 S 8.80 4.22 0.00 3.99 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 0.00 622 S 8.49 3.96 0.00 3.64 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 623 Y 8.42 3.62 0.00 2.34 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 624 G 7.46 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 0.00 625 K 7.34 3.58 0.00 1.94 1.67 0.00 1.96 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.40 1.29 7.81 626 R 8.64 3.79 0.00 1.93 1.82 0.00 3.22 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.17 0.00 627 K 7.66 4.51 0.00 1.67 1.79 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 0.99 7.81 628 T 7.72 4.72 4.24 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 1.21 0.00 0.00 629 L 8.23 4.26 0.00 1.66 1.62 0.92 0.78 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 0.00 630 T 7.44 4.81 4.24 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 1.21 0.00 0.00 631 E 8.71 4.21 0.00 1.97 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 2.31 1.97 0.00 632 T 7.87 4.07 4.13 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 0.00 0.00 1.11 0.00 0.00 633 I 7.67 4.14 1.87 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 1.49 1.67 0.91 0.00 0.00 *634 Y 8.09 4.45 0.00 2.31 2.33 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 0.00 635 K 8.33 4.32 0.00 1.74 1.85 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.36 7.81 636 N 8.03 4.69 0.00 2.97 2.88 0.00 0.00 6.95 8.82 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 *637 Y 8.05 3.93 0.00 2.30 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *638 Y 7.47 4.44 0.00 2.44 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 0.00 0.00 0.00 0.00 639 R 7.47 4.22 0.00 1.85 1.87 0.00 3.24 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.47 0.00 640 I 7.93 4.00 1.98 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.14 1.10 0.00 0.00 641 Q 9.46 4.42 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 642 L 8.14 4.53 0.00 1.57 1.83 0.97 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 643 K 8.16 4.48 0.00 1.72 1.66 0.00 1.87 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.43 1.02 7.81 644 P 0.00 2.00 0.00 2.00 2.10 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 645 E 8.07 3.96 0.00 2.06 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.96 0.00 646 Q 7.77 4.65 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.71 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 647 F 7.78 4.75 0.00 2.96 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 0.00 648 S 8.09 4.07 0.00 3.01 3.47 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 0.00 649 S 7.83 4.22 0.00 3.73 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 0.00 650 Y 8.46 4.45 0.00 3.09 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 0.00 651 L 8.38 3.84 0.00 1.11 1.07 -0.64 -0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 652 T 7.28 5.23 4.33 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 1.50 0.00 0.00 653 S 6.93 4.58 0.00 3.97 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 654 P 0.00 4.15 0.00 2.00 2.11 0.00 3.62 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 2.00 2.05 0.00 655 D 7.45 4.36 0.00 2.76 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 3.82 1.88 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 0.91 0.00 0.00 0.61 0.00 0.00 657 G 7.85 2.66 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 0.00 658 F 7.81 4.28 0.00 3.40 3.22 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 0.00 659 S 9.24 4.46 0.00 3.40 3.78 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 0.00 660 S 8.17 4.91 0.00 3.36 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 0.00 661 Y 8.18 5.45 0.00 1.50 2.36 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.94 4.38 0.00 1.64 1.78 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 2.22 1.86 0.00 663 L 8.41 4.40 0.00 1.69 1.56 0.36 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 664 V 8.48 4.09 2.26 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 1.06 0.00 0.00 1.04 0.00 0.00 *676 R 7.53 4.25 0.00 1.90 1.74 0.00 3.32 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 677 P 0.00 4.43 0.00 1.83 2.15 0.00 3.70 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.11 0.00 678 V 7.82 4.78 2.11 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 1.14 0.00 0.00 1.00 0.00 0.00 679 Y 9.50 5.32 0.00 3.17 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 0.00 680 L 8.71 5.10 0.00 1.29 1.50 0.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 681 F 8.95 5.04 0.00 2.10 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 682 H 9.42 5.46 0.00 3.15 3.26 0.00 5.59 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 683 K 9.09 4.92 0.00 1.66 1.71 0.00 0.61 0.00 0.00 1.46 0.00 0.00 2.52 0.00 0.00 2.25 0.00 0.00 0.00 0.00 1.20 1.19 7.81 684 A 8.90 4.40 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 0.00 685 R 8.45 4.14 0.00 1.84 1.70 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.18 0.00 * Residues marked with a * may have inaccurate shift predictions.