NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 431 R 4.3145 8.2549 120.8693 55.8313 31.2824 174.9697 432 S 4.5644 8.3518 119.9623 57.6700 63.6206 172.5927 433 L 4.4074 10.0534 125.3250 54.5062 43.7892 175.5334 434 I 4.6353 9.2507 123.4333 60.0446 39.1233 174.8177 435 V 4.6028 8.7274 128.2210 61.3431 33.5612 174.5572 436 T 5.1308 8.7287 123.6323 61.5580 69.2183 173.4024 437 T 4.7240 7.7039 119.7758 61.7639 70.9415 171.1723 438 I 4.7302 7.6998 120.9729 58.9140 41.2941 174.7650 439 L 3.9779 8.4084 127.9062 54.9856 41.9399 176.6559 440 E 4.5992 8.9631 120.4919 55.4359 31.7052 174.6019 441 E 4.0645 8.8075 126.9860 55.8340 30.2241 175.2744 442 P 4.2330 0.0000 0.0000 62.6008 31.9146 177.2475 443 Y 3.8414 7.3130 118.7233 61.1477 38.2378 175.9603 444 V 4.7409 8.1199 120.3940 61.2462 35.1116 173.6515 445 L 4.8638 8.8179 127.0413 54.1575 44.5119 174.8443 446 F 4.7643 8.6821 119.0844 57.0239 39.4373 175.5030 447 K 4.1574 9.2574 126.7570 56.5878 32.5889 176.2284 448 K 4.5087 8.6250 126.9991 55.2887 33.4895 175.8619 449 S 4.5792 7.9787 115.7968 57.2462 65.5945 174.3740 450 D 4.3587 8.7806 120.7350 57.0723 41.1006 176.5397 451 K 4.3720 7.6326 118.2772 54.1152 33.3809 174.2218 452 P 4.1549 0.0000 0.0000 62.7737 31.7727 175.6765 453 L 4.4825 7.6536 119.9452 53.3096 44.1245 175.3129 454 Y 4.8249 7.5141 116.5897 57.0728 42.8419 176.5190 455 G 4.0673 8.7753 109.3828 46.2775 0.0000 175.0405 456 N 4.7019 8.8300 115.3023 56.4563 38.8193 176.7525 457 D 4.5355 7.6796 117.1743 56.8315 41.2403 178.0200 458 R 3.8695 7.9229 118.5505 57.9581 30.1949 176.4405 459 F 5.3524 7.5682 115.7597 55.7616 41.1387 174.4555 460 E 4.6503 9.0752 120.3965 55.0482 32.8448 174.1783 461 G 2.8562 8.3463 104.9526 42.5012 0.0000 173.8400 462 Y 3.6503 7.1952 120.5289 60.9917 38.4844 178.1730 463 C 4.0911 8.2370 117.3770 62.4535 28.1068 176.2195 464 I 3.6351 7.4194 121.3720 64.2484 36.7978 177.8256 465 D 4.3491 8.0839 119.8050 57.2545 40.5861 178.5834 466 L 3.7132 7.6350 120.7915 57.9920 41.9571 178.8172 467 L 3.7478 7.8831 120.3331 58.0709 41.9991 179.0966 468 R 3.9118 8.0275 118.0908 59.2897 30.0239 178.9094 469 E 3.9164 8.1259 118.2717 59.4290 29.3986 179.4455 470 L 4.0229 8.0646 119.2209 57.7538 41.6826 179.4306 471 S 2.7900 8.0555 113.4666 61.1547 61.9843 176.4974 472 T 3.8621 7.4203 117.3140 66.4912 68.2960 176.7804 473 I 3.8703 7.6026 120.7082 64.1322 37.3324 177.8698 474 L 4.4999 8.1006 117.2790 54.0669 42.2899 176.6398 475 G 3.8135 8.1583 106.8940 46.8283 0.0000 173.4212 476 F 5.1280 7.5895 112.5635 54.7126 40.6823 174.5816 477 T 4.7953 8.3778 112.1961 61.1087 71.1425 172.7522 478 Y 5.2300 7.7355 119.3899 55.8640 41.7801 173.6490 479 E 4.7720 9.4041 120.8628 54.4828 32.6833 174.5310 480 I 4.5102 9.0793 129.0470 61.1431 38.2207 175.8731 481 R 4.6387 9.0577 125.9464 54.0038 33.5969 174.9079 482 L 4.5256 8.6549 124.8025 54.2104 42.7929 177.4874 483 V 3.5326 8.6416 123.9660 62.3647 31.6821 176.7371 484 E 3.9174 9.1403 125.3976 59.6962 29.4200 177.8651 485 D 4.5219 8.1318 114.0923 53.0890 39.6919 176.1822 486 G 3.9462 7.8153 107.0752 46.6723 0.0000 173.7439 487 K 4.7211 7.9305 117.5402 54.2355 35.3200 177.1008 488 Y 3.8253 8.6258 119.0663 60.4710 38.2566 174.7163 489 G 4.9527 6.7829 111.8442 44.2695 0.0000 171.7956 490 A 4.2251 8.6603 127.8509 50.8987 22.3731 175.3704 491 Q 3.7690 6.8493 118.6894 55.2065 27.8510 175.1318 492 D 4.3887 8.2003 119.6642 52.6261 41.0148 175.8938 *496 G 3.7298 8.3356 112.6102 46.1651 0.0000 170.2402 497 Q 4.4219 8.3776 120.8808 55.3521 30.1036 175.8769 498 W 4.9226 8.8270 122.0380 56.7738 30.5227 175.1147 499 N 5.0583 8.6938 118.6391 51.9711 40.5388 173.9886 500 G 4.1200 9.2131 105.4869 45.7082 0.0000 174.1672 501 M 3.9964 8.1324 117.3330 58.3636 32.5740 178.9202 502 V 3.4136 7.8658 117.9958 65.9649 31.5083 178.0657 503 R 3.8966 8.0065 117.8048 59.4717 29.9601 177.9210 504 E 3.9261 7.8930 118.4848 59.5669 29.4083 179.5658 505 L 3.8549 7.7079 118.3839 57.7387 41.4870 179.3251 506 I 3.6277 7.4217 118.5363 64.4507 37.1443 177.2893 507 D 4.6780 8.0159 116.1636 53.5517 40.8772 175.9402 508 H 3.9919 8.0226 115.4591 56.8770 26.7960 175.7678 509 K 4.2539 8.3537 117.7889 57.1057 32.5089 177.1173 510 A 4.6547 7.2819 120.5764 50.5696 22.1501 175.7276 511 D 4.4724 8.7724 121.9507 56.4537 41.7114 177.0636 512 L 4.8986 7.5792 115.7555 52.6708 46.7668 175.7744 513 A 5.3511 8.8396 123.5338 49.6400 21.1837 175.8298 514 V 4.4855 7.8621 122.6311 62.5678 32.5613 174.4761 515 A 4.2642 8.0251 128.8296 50.9625 22.0086 174.8692 516 P 3.3634 0.0000 0.0000 61.5910 29.5787 176.2522 517 L 4.5875 7.2698 122.1033 53.9937 43.8553 176.0807 518 A 4.5846 8.6125 129.0602 52.0968 19.2323 176.7011 519 I 2.6947 8.3613 124.4291 60.5700 37.4304 175.8336 520 T 4.6914 7.9075 116.8452 58.8858 71.7607 174.5805 521 Y 4.1678 8.6527 121.4020 60.3111 37.7466 178.7172 522 V 3.5833 6.8594 113.8329 64.3556 31.6626 178.5767 523 R 3.8248 8.1281 117.8575 59.1437 29.7224 178.8690 524 E 4.3733 8.3328 119.0440 58.5219 29.5115 178.9656 525 K 4.2875 7.6941 116.3951 58.0691 32.2614 177.8343 526 V 4.3189 7.8255 110.0147 60.3769 33.4093 174.6433 527 I 4.5755 7.1378 111.7719 59.5648 41.6021 173.3888 528 D 5.0161 8.4555 121.2203 52.6865 43.7503 175.8446 529 F 5.4167 8.4805 118.1532 55.4826 42.6725 175.1281 530 S 4.5201 9.1012 117.7301 57.8559 63.8136 173.9988 531 K 4.1463 8.5330 120.1926 56.0140 32.6303 175.5677 532 P 4.4972 0.0000 0.0000 62.8677 31.6840 176.7197 533 F 4.8301 8.2577 117.0282 57.4457 38.8947 175.3121 534 M 4.8469 7.0565 120.6438 54.6724 35.4101 173.0371 535 T 4.8505 7.9566 114.7360 60.2999 71.9460 173.3297 536 L 4.2138 8.4415 121.9581 56.6165 44.1389 173.2347 537 G 4.3454 7.8490 103.2984 46.3309 0.0000 173.1469 538 I 4.2268 8.9627 122.5704 61.6072 38.4437 175.8472 539 S 4.3740 9.0103 119.5997 57.5320 66.1462 171.4104 540 I 4.9167 8.3637 118.5432 59.6542 40.2863 174.2579 541 L 5.0455 9.0953 129.8883 54.0112 43.8733 174.7070 542 Y 5.2506 8.6839 126.0438 56.7974 43.0277 173.5402 543 R 4.5369 6.8470 119.9791 55.5932 30.7182 176.9899 544 K 4.0227 8.2797 120.1354 55.7755 34.0415 178.1476 *555 G 3.9609 8.6438 108.9404 45.6887 0.0000 172.6019 *566 T 4.9523 7.3774 108.4929 61.1066 69.6609 172.7630 *667 P 4.5298 0.0000 0.0000 62.0764 33.2209 177.1022 668 I 3.8425 7.5579 120.0103 61.4650 36.8572 175.1746 669 D 4.8497 8.8146 123.8422 53.1835 42.5390 175.2399 670 S 4.5408 7.4048 111.4200 57.1067 66.5113 175.5305 671 A 3.8989 8.3992 123.6859 55.3821 17.7754 179.2335 672 D 4.2138 8.0879 115.9814 57.6864 41.0286 178.1919 673 D 4.3249 7.5462 118.5888 57.1247 40.9449 178.4492 674 L 3.8850 7.5165 119.1197 57.6771 41.3646 179.4435 675 A 4.0182 7.9775 119.9668 54.0214 18.2351 178.5904 676 K 4.5567 7.3335 115.8138 56.0492 33.5827 175.7284 677 Q 4.6238 7.4992 117.1886 55.8586 31.7720 173.9907 678 T 4.6166 8.1824 108.4342 61.4802 69.2927 174.5530 679 K 4.0250 8.4218 121.5794 59.5798 32.2853 176.5126 680 I 4.3979 8.3974 120.6859 60.4547 37.5061 176.0814 681 E 4.4810 8.8289 127.6026 56.5814 31.3770 175.2685 682 Y 4.9070 6.9829 117.2454 57.3110 41.4440 174.2162 683 G 4.7953 8.3478 104.1020 47.9625 0.0000 171.2861 684 A 5.0616 8.3146 120.9111 50.7728 23.1385 176.1256 685 V 4.3986 8.4242 119.4747 63.0049 32.1095 175.4855 686 E 4.1066 9.4131 130.1590 56.8621 30.5062 176.0812 687 D 4.4703 9.1148 125.3819 56.1107 38.4105 173.3073 688 G 4.5987 7.7833 103.5612 42.2174 0.0000 173.4588 689 A 4.0578 8.2866 120.9555 55.3129 18.2627 180.0618 690 T 3.8184 7.7847 113.7752 66.9470 68.5787 176.1945 691 M 4.2445 8.2021 119.5981 59.3899 32.3808 178.2927 692 T 3.6567 7.9400 115.5860 66.2366 68.2812 176.4157 693 F 3.9772 8.0667 122.1166 61.3113 39.7342 177.0124 694 F 4.0148 8.1175 116.8071 60.3307 38.5926 177.3318 695 K 2.0000 7.1400 118.1177 58.4176 31.7693 177.8376 696 K 4.1670 7.0443 114.4484 55.2880 32.9633 176.8507 697 S 3.9491 6.9170 114.9795 58.1724 62.6864 173.8623 698 K 4.3937 8.2715 124.8228 56.4481 32.9692 177.2528 699 I 3.8808 7.5743 122.2310 60.9775 38.4088 175.7317 700 S 3.9684 8.7812 119.0548 62.5858 62.0729 176.4599 701 T 3.7934 7.5737 117.0261 67.0670 68.2894 175.9936 702 Y 4.8216 7.3815 117.7399 60.7952 38.1148 177.1265 703 D 4.5740 8.7227 119.6506 57.3367 41.3982 178.3102 704 K 4.0198 8.3585 120.0017 60.0376 32.2691 178.7536 705 M 4.8244 8.2855 120.3098 57.6173 31.8845 178.5412 706 W 4.5275 9.2120 128.9570 60.4832 30.8009 177.6568 707 A 3.8055 8.3346 120.8742 55.1537 17.5528 179.3175 708 F 3.8513 7.8966 117.3598 61.7011 39.8933 177.0154 709 M 4.0569 7.9612 118.3928 58.3747 31.5708 179.0227 710 S 3.5477 7.0764 113.5903 60.9728 63.1016 176.2760 711 S 4.1822 7.2425 116.5200 59.7421 63.1095 174.7102 712 R 4.5010 7.1710 121.8706 55.4704 30.6997 177.6715 713 R 3.9728 7.9672 116.9963 59.0568 29.6197 178.6860 714 Q 3.8226 8.0574 117.4323 58.1931 28.9698 176.9872 715 S 4.4974 8.0540 111.0950 59.2142 64.3837 175.2408 716 V 4.3871 7.5846 112.8117 61.8777 33.5622 176.0345 717 L 4.9845 7.4712 120.3648 54.1517 42.6824 176.8683 718 V 4.4996 8.6608 115.8858 59.4554 34.9159 176.9084 719 K 4.3873 8.6326 121.0071 58.9500 32.5537 177.9988 720 S 4.8149 7.5846 111.8777 56.1309 66.9999 174.7435 721 N 4.7209 8.9198 119.4480 56.4704 38.2360 177.3157 722 E 3.9485 8.2340 120.3955 59.2920 29.9025 178.3285 723 E 3.9618 8.1430 119.1878 59.1172 29.7268 179.0839 724 G 2.4108 7.5614 105.4950 47.2406 0.0000 175.9127 725 I 3.8096 7.6342 122.3291 64.1413 37.1157 178.3259 726 Q 3.9949 8.2596 120.6419 58.9316 28.8274 178.4429 727 R 3.7858 7.6706 118.8494 59.1630 29.8368 178.9537 728 V 4.2649 7.4751 117.8152 65.7096 31.5664 177.8115 729 L 4.2363 7.8660 117.7433 56.6874 41.5654 177.8291 730 T 4.5197 7.4820 106.2368 61.0194 69.3269 173.3288 731 S 4.5605 7.9079 115.4575 57.6914 65.9812 175.1381 732 D 4.8976 8.4104 121.3256 53.7436 39.8326 172.4129 733 Y 5.2221 8.3702 122.3799 55.7551 42.7561 172.7239 734 A 4.9691 8.8241 129.1454 50.5166 21.6981 175.2807 735 F 5.2082 9.1178 123.8701 56.2961 42.0313 174.2985 736 L 4.7561 8.4616 127.7462 54.5682 42.1454 176.0858 737 M 4.5335 8.4194 120.7770 54.0292 35.5197 173.7661 738 E 4.6058 8.6529 118.1562 55.7256 30.6038 178.4904 739 S 4.2290 8.9332 118.7866 61.5350 62.8198 177.0392 740 T 3.9285 7.9145 113.0444 65.3805 68.5332 176.4862 741 T 4.3096 8.2670 118.4685 65.9988 68.4984 176.8227 742 I 3.8911 8.0392 122.1425 64.3251 36.9101 177.8442 743 E 4.0663 8.5413 119.5039 59.3479 29.3768 178.4587 744 F 4.3036 8.4904 120.6834 61.2896 39.4458 177.2355 745 V 3.5605 8.1008 118.1207 66.2517 31.2191 177.9008 746 T 4.0509 8.1680 107.5415 63.8671 68.8196 175.2193 747 Q 4.2177 7.5987 119.4289 57.1296 29.1685 176.5257 748 R 4.3622 7.5655 114.3309 55.6897 32.2806 175.4806 749 N 4.8283 8.0949 115.1638 51.2271 39.3419 174.5989 750 C 4.3889 8.5420 119.5436 60.9183 28.5604 174.3183 751 N 4.6679 8.0063 116.8928 52.7421 37.7352 174.2872 752 L 5.0674 7.5920 119.0980 54.1906 44.3374 175.2614 753 T 4.5770 8.6717 113.7480 61.2917 71.3956 171.8589 754 Q 4.9130 8.6478 126.8553 55.5433 30.1954 174.7388 755 I 4.1720 8.9722 128.1897 60.8724 38.3599 177.3455 756 G 3.8629 8.7007 117.9478 44.8077 0.0000 171.4290 757 G 4.0658 8.1427 108.3381 44.5063 0.0000 172.6862 758 L 4.3458 8.2179 120.2366 54.4571 42.4091 177.2688 759 I 3.9160 8.8177 125.3969 63.6911 37.4951 174.9461 760 D 4.5977 7.1282 117.5352 52.2427 42.7657 173.5997 761 S 4.8234 8.2710 112.1432 56.7999 65.3513 173.5125 762 K 4.4177 8.8799 125.3129 56.1764 36.4993 174.2533 763 G 4.1749 8.0996 105.5528 44.5912 0.0000 171.0659 764 Y 5.1270 8.1035 118.5227 56.7819 39.4118 175.3077 765 G 4.6389 8.5419 109.6605 44.2132 0.0000 172.1690 766 V 4.2560 9.0005 121.6628 62.5578 32.7791 175.3900 767 G 4.0179 8.9558 115.9194 45.5927 0.0000 172.6404 768 T 4.9442 8.2885 112.5308 58.6355 72.9778 171.5760 769 P 4.5110 0.0000 0.0000 62.3566 32.7292 175.7612 770 M 4.2905 8.3934 122.8705 57.4005 32.4235 176.5743 771 G 3.9249 9.6717 114.6575 45.1316 0.0000 173.4116 772 S 4.1828 7.9368 115.6977 57.6469 62.7091 173.0288 773 P 4.5238 0.0000 0.0000 64.2898 31.6210 177.0723 774 Y 4.1470 7.8981 117.0978 59.8556 37.9396 177.2958 775 R 3.9055 7.6283 119.1472 59.4632 30.1253 178.3617 776 K 3.9634 7.9849 118.6066 59.4931 32.3041 178.7408 777 K 4.0266 8.0036 118.2949 59.5551 31.9731 179.3031 778 I 3.8328 8.2022 120.3587 64.5125 37.0233 178.3885 779 T 3.9261 8.0930 116.6709 66.9168 68.3583 176.3800 780 I 3.7098 7.8896 121.1374 64.6060 37.1801 178.4193 781 A 4.0704 8.2592 121.4076 55.0931 18.0815 179.8241 782 I 3.7492 8.2932 118.8731 64.5474 37.2149 178.5781 783 L 4.0345 8.1358 119.8646 57.8809 41.4176 179.6338 784 Q 4.0143 8.1188 117.9036 59.0763 28.6959 178.8716 785 L 4.0328 8.0848 119.9499 57.6724 41.6148 179.4329 786 Q 3.9644 8.3859 119.7918 59.4894 28.9266 178.3068 787 E 4.0983 8.5231 118.6715 58.6575 29.5464 178.1658 788 E 4.4265 8.0652 115.5050 55.9033 30.4548 177.1312 789 G 3.9446 8.0706 108.4785 46.5556 0.0000 175.6866 790 K 4.0360 8.1615 122.9207 59.0842 32.0224 179.0598 791 L 4.0794 7.9268 118.9599 58.1472 41.6347 178.7841 792 H 4.1976 8.2979 117.7292 59.3877 29.8738 176.8397 793 M 4.0545 8.0992 119.6742 58.9076 32.1862 178.0903 794 M 4.2644 8.5311 119.2793 58.2358 32.0936 178.6584 795 K 4.2753 8.6828 119.9350 59.7838 32.2090 178.6054 796 E 4.0481 8.1392 117.5161 59.3211 29.4382 178.9301 797 K 3.9599 8.0476 118.4956 59.2521 32.3840 178.2757 798 W 4.6400 8.3578 116.0955 57.3969 29.4964 177.0393 799 W 4.7177 8.6019 123.7027 56.7868 28.9529 175.6177 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 R 8.25 4.31 0.00 1.81 1.94 0.00 3.21 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 432 S 8.35 4.56 0.00 3.90 3.81 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 0.00 433 L 10.05 4.41 0.00 1.33 1.22 -0.55 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 434 I 9.25 4.64 1.81 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 1.09 0.96 0.94 0.00 0.00 435 V 8.73 4.60 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 0.73 0.00 0.00 0.83 0.00 0.00 436 T 8.73 5.13 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 1.15 0.00 0.00 437 T 7.70 4.72 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 0.81 0.00 0.00 438 I 7.70 4.73 1.46 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.74 0.44 0.00 0.00 439 L 8.41 3.98 0.00 1.67 1.62 0.71 0.81 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 0.00 440 E 8.96 4.60 0.00 2.00 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 2.25 2.50 0.00 441 E 8.81 4.06 0.00 1.94 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 442 P 0.00 4.23 0.00 1.59 1.09 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 443 Y 7.31 3.84 0.00 3.03 2.99 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 0.00 0.00 0.00 444 V 8.12 4.74 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 0.63 0.00 0.00 0.79 0.00 0.00 445 L 8.82 4.86 0.00 1.74 1.65 1.01 0.91 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 0.00 446 F 8.68 4.76 0.00 2.99 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 447 K 9.26 4.16 0.00 1.77 1.74 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.69 7.81 448 K 8.63 4.51 0.00 1.81 1.72 0.00 1.90 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.47 7.81 449 S 7.98 4.58 0.00 3.92 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 0.00 450 D 8.78 4.36 0.00 2.63 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 0.00 451 K 7.63 4.37 0.00 1.74 1.66 0.00 1.86 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.43 7.81 452 P 0.00 4.15 0.00 1.74 1.88 0.00 3.76 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 453 L 7.65 4.48 0.00 1.41 1.43 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 454 Y 7.51 4.82 0.00 2.93 2.74 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 0.00 0.00 0.00 455 G 8.78 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 456 N 8.83 4.70 0.00 2.81 3.08 0.00 0.00 6.87 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 0.00 457 D 7.68 4.54 0.00 2.90 2.74 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 0.00 0.00 0.00 458 R 7.92 3.87 0.00 0.87 1.48 0.00 3.05 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.42 0.00 459 F 7.57 5.35 0.00 3.03 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 E 9.08 4.65 0.00 2.35 2.14 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.98 0.00 469 E 8.13 3.92 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 470 L 8.06 4.02 0.00 1.88 1.92 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 471 S 8.06 2.79 0.00 3.50 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 0.00 472 T 7.42 3.86 4.32 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 1.19 0.00 0.00 473 I 7.60 3.87 1.89 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 1.53 0.56 0.94 0.00 0.00 474 L 8.10 4.50 0.00 2.12 2.04 1.22 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 475 G 8.16 3.81 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 0.00 0.00 0.00 0.00 476 F 7.59 5.13 0.00 3.14 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 477 T 8.38 4.80 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 1.22 0.00 0.00 478 Y 7.74 5.23 0.00 3.04 3.23 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 0.00 479 E 9.40 4.77 0.00 2.01 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 480 I 9.08 4.51 1.99 0.00 0.00 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 1.27 1.05 0.31 0.00 0.00 481 R 9.06 4.64 0.00 1.62 1.77 0.00 3.12 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 482 L 8.65 4.53 0.00 1.55 1.56 1.11 0.63 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 0.00 483 V 8.64 3.53 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 0.65 0.00 0.00 0.96 0.00 0.00 484 E 9.14 3.92 0.00 1.96 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 0.00 2.32 2.38 0.00 485 D 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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 0.00 497 Q 8.38 4.42 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.02 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 498 W 8.83 4.92 0.00 3.16 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 499 N 8.69 5.06 0.00 3.19 2.96 0.00 0.00 7.10 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 500 G 9.21 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 0.00 501 M 8.13 4.00 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.36 0.00 502 V 7.87 3.41 2.18 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 0.15 0.00 0.00 1.03 0.00 0.00 503 R 8.01 3.90 0.00 2.11 2.13 0.00 3.36 0.00 0.00 3.66 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.82 0.00 504 E 7.89 3.93 0.00 2.09 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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7.91 3.93 4.62 0.00 0.00 0.00 0.00 0.00 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 0.00 741 T 8.27 4.31 4.48 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 1.46 0.00 0.00 742 I 8.04 3.89 2.14 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 1.53 0.99 1.00 0.00 0.00 743 E 8.54 4.07 0.00 2.17 2.52 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 2.63 2.45 0.00 744 F 8.49 4.30 0.00 2.61 3.18 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 0.00 745 V 8.10 3.56 2.34 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 1.07 0.00 0.00 1.18 0.00 0.00 746 T 8.17 4.05 4.27 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 1.34 0.00 0.00 747 Q 7.60 4.22 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 748 R 7.57 4.36 0.00 1.41 1.76 0.00 2.21 0.00 0.00 2.72 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.32 0.00 749 N 8.09 4.83 0.00 2.77 2.88 0.00 0.00 6.84 7.18 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 0.00 750 C 8.54 4.39 0.00 2.95 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 0.00 751 N 8.01 4.67 0.00 2.83 3.02 0.00 0.00 6.12 6.67 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 0.00 752 L 7.59 5.07 0.00 1.66 1.67 0.97 0.62 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 0.00 753 T 8.67 4.58 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 1.27 0.00 0.00 754 Q 8.65 4.91 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.54 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 755 I 8.97 4.17 1.88 0.00 0.00 1.00 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 1.11 0.96 0.00 0.00 756 G 8.70 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 0.00 0.00 0.00 757 G 8.14 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 758 L 8.22 4.35 0.00 1.56 1.70 0.87 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 759 I 8.82 3.92 1.61 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 1.36 0.40 0.09 0.00 0.00 760 D 7.13 4.60 0.00 2.41 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 0.00 0.00 0.00 0.00 761 S 8.27 4.82 0.00 3.74 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 0.00 762 K 8.88 4.42 0.00 1.62 1.71 0.00 1.12 0.00 0.00 1.50 0.00 0.00 2.70 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.08 1.11 7.81 763 G 8.10 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 0.00 0.00 0.00 764 Y 8.10 5.13 0.00 1.79 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 0.00 0.00 0.00 765 G 8.54 4.64 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 0.00 0.00 0.00 766 V 9.00 4.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.02 0.00 0.00 767 G 8.96 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 0.00 768 T 8.29 4.94 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 1.14 0.00 0.00 769 P 0.00 4.51 0.00 1.82 1.81 0.00 3.46 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.02 0.00 770 M 8.39 4.29 0.00 1.93 2.06 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 2.82 2.53 0.00 771 G 9.67 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 0.00 772 S 7.94 4.18 0.00 3.92 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 773 P 0.00 4.52 0.00 2.06 2.09 0.00 3.87 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 1.94 1.96 0.00 774 Y 7.90 4.15 0.00 2.96 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 775 R 7.63 3.91 0.00 1.92 1.95 0.00 3.24 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 776 K 7.98 3.96 0.00 1.91 1.78 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.60 7.81 777 K 8.00 4.03 0.00 2.03 1.90 0.00 1.43 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.50 1.47 7.81 778 I 8.20 3.83 2.07 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 1.62 0.94 0.98 0.00 0.00 779 T 8.09 3.93 4.51 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 1.25 0.00 0.00 780 I 7.89 3.71 2.06 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 1.48 0.78 0.94 0.00 0.00 781 A 8.26 4.07 1.43 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 0.00 0.00 782 I 8.29 3.75 2.17 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.91 1.06 0.00 0.00 783 L 8.14 4.03 0.00 1.86 1.75 0.96 0.91 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 0.00 784 Q 8.12 4.01 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 785 L 8.08 4.03 0.00 1.90 1.75 0.91 0.63 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 0.00 786 Q 8.39 3.96 0.00 2.20 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 787 E 8.52 4.10 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 2.36 2.47 0.00 788 E 8.07 4.43 0.00 2.15 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 0.00 2.61 2.33 0.00 789 G 8.07 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 0.00 790 K 8.16 4.04 0.00 1.92 1.95 0.00 1.56 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.52 7.81 791 L 7.93 4.08 0.00 1.86 1.94 1.20 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 792 H 8.30 4.20 0.00 3.28 3.36 0.00 5.87 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 0.00 793 M 8.10 4.05 0.00 2.34 2.09 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 2.61 0.00 794 M 8.53 4.26 0.00 2.02 2.27 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.57 0.00 795 K 8.68 4.28 0.00 1.89 2.01 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.14 1.29 7.81 796 E 8.14 4.05 0.00 2.14 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 2.31 2.41 0.00 797 K 8.05 3.96 0.00 1.77 2.03 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.13 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.47 1.11 7.81 798 W 8.36 4.64 0.00 3.76 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 799 W 8.60 4.72 0.00 3.65 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 * Residues marked with a * may have inaccurate shift predictions.