NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 431 R 4.2670 8.2544 120.8691 56.2312 31.2641 173.8051 432 S 4.8130 8.2048 114.3381 54.7565 64.6284 171.6862 433 L 4.4308 9.8369 129.8789 54.4823 43.4181 175.7904 434 I 4.4182 9.2073 125.6671 60.7930 38.3686 175.0952 435 V 4.4544 8.7000 129.0566 61.4299 33.0052 174.8999 436 T 4.9359 8.5509 123.6005 61.9430 69.0965 173.8255 437 T 4.5159 7.6023 119.1308 62.8100 70.6742 171.1079 438 I 4.4003 7.6254 117.8957 59.9009 40.8125 175.1745 439 L 3.9878 8.5420 128.8891 55.0362 42.1533 176.5437 440 E 4.5888 9.0760 119.3576 55.3244 32.0738 174.8401 441 E 4.0061 8.9351 127.2978 56.2047 30.0870 175.3157 442 P 4.3868 0.0000 0.0000 62.6530 31.9745 177.2449 443 Y 3.8517 8.1176 119.7940 61.2472 38.1664 176.0324 444 V 4.7928 7.0905 118.3957 61.4026 35.3131 173.1930 445 L 4.6701 8.3519 124.9740 54.5308 44.1048 174.0089 446 F 4.8094 8.8810 120.1610 57.4913 39.2191 175.2520 447 K 4.5867 8.9293 126.3708 56.0539 32.8621 176.3204 448 K 4.3956 8.5781 125.5335 55.7425 33.1537 176.1700 449 S 4.6212 8.0359 116.2116 57.1563 65.2040 173.7414 450 D 4.4464 8.6273 123.8026 55.0500 39.7542 176.7009 451 K 4.3331 7.5165 119.2767 53.5475 33.1929 173.9772 452 P 3.8810 0.0000 0.0000 62.9621 31.3771 175.5975 453 L 4.1378 7.9435 123.2145 53.6614 43.0165 175.8321 454 Y 4.8027 8.0461 119.2781 56.7468 41.8777 176.9121 455 G 3.7911 8.4974 110.0312 47.1539 0.0000 175.9534 456 N 4.8363 8.6640 118.9771 54.9923 38.7646 176.3688 457 D 4.5195 7.7510 117.6709 56.4299 41.2872 177.8754 458 R 3.8660 7.6058 118.0711 57.9442 30.1758 176.2921 459 F 5.4973 7.3175 115.1097 55.4798 41.5686 174.0630 460 E 4.7531 9.3451 121.0403 54.3960 33.0178 173.5554 461 G 2.6442 8.6228 103.6087 42.8964 0.0000 174.1925 462 Y 3.6928 6.8905 122.0760 61.0697 38.5208 179.0557 463 C 4.0717 8.2260 117.3855 62.5685 28.2004 176.1165 464 I 3.5789 7.4473 121.0389 64.3422 36.7260 177.8509 465 D 4.3711 8.2058 119.9351 57.2999 40.6428 178.5247 466 L 3.6837 7.6986 120.7970 58.0382 42.0207 178.4724 467 L 3.7130 8.2109 120.7413 58.2220 41.8064 178.8324 468 R 3.9149 7.8909 118.2008 59.6209 30.0425 178.2122 469 E 3.9082 8.1901 118.1789 59.4387 29.4786 179.4305 470 L 3.9876 8.0735 119.0991 57.6764 41.7685 179.1282 471 S 2.7900 8.1422 113.5179 61.9333 62.1569 176.0340 472 T 3.7707 7.9725 118.1409 66.5552 67.8977 176.2665 473 I 3.7216 7.8494 122.9482 64.0462 37.4852 177.5177 474 L 4.7153 7.9385 116.4875 52.7970 43.8219 176.4352 475 G 4.0005 7.7094 107.6649 46.1400 0.0000 172.4787 476 F 5.2929 7.8586 113.8965 55.6186 41.6392 175.7795 477 T 4.8155 8.6557 110.0412 60.8653 71.4000 172.7891 478 Y 5.2582 7.7577 119.3161 55.8187 41.3568 173.3573 479 E 4.7134 9.3288 122.9586 54.5821 32.1040 174.6642 480 I 4.6214 8.8059 128.7151 60.8942 38.3273 175.6082 481 R 4.7375 8.9338 126.2058 54.0370 33.5490 174.9856 482 L 4.5433 8.5974 124.1149 54.0905 42.4098 177.2845 483 V 3.5176 8.7630 124.1538 62.5841 31.5560 177.2631 484 E 3.9157 9.0060 124.9295 59.4585 29.5796 178.1243 485 D 4.3975 8.0025 116.1872 54.4812 39.8393 176.9145 486 G 3.9039 7.8453 107.4551 45.8354 0.0000 173.1329 487 K 4.8617 8.0875 117.7310 54.3510 35.4782 176.9726 488 Y 3.7416 8.9925 119.3388 58.8993 38.2574 175.8546 489 G 5.2870 7.5360 119.1837 46.6018 0.0000 170.6355 490 A 4.8598 9.2090 127.8137 50.3212 23.5525 174.0353 491 Q 3.8396 7.6274 120.1441 54.1862 29.8650 174.2759 492 D 3.9499 9.5724 128.2873 58.3685 41.6791 176.7075 *496 G 3.8930 7.7333 105.1239 45.8566 0.0000 171.6225 497 Q 4.5867 7.9132 119.1184 54.9924 30.3656 175.0739 498 W 5.1035 8.8065 121.7760 55.4508 31.8206 174.6609 499 N 5.0062 8.7369 119.1533 51.7363 40.9099 174.2261 500 G 4.1630 9.4076 106.5152 46.1024 0.0000 173.8166 501 M 3.9153 8.2322 117.4455 58.6207 31.9197 178.7345 502 V 3.3823 7.7733 118.1449 65.8770 31.5993 177.7819 503 R 3.8949 7.8332 117.7851 59.8245 29.9238 178.0121 504 E 3.9209 8.0865 118.0513 59.6060 29.4318 179.6810 505 L 3.8769 7.8384 118.6890 57.8064 41.4870 179.4085 506 I 3.6424 7.3928 118.3648 64.4735 37.1693 177.4661 507 D 4.5731 8.0567 116.0574 54.0253 40.7701 176.0705 508 H 4.0984 7.9502 115.3179 56.8005 26.8387 175.9234 509 K 4.1877 8.1538 118.3859 57.7107 32.3027 176.8888 510 A 4.6590 7.3794 119.9046 50.8598 22.0981 175.2009 511 D 4.6233 9.0351 120.0363 55.5539 42.2758 177.3533 512 L 4.8808 7.5031 116.0045 52.8033 46.7653 175.3632 513 A 4.8334 9.1976 124.4825 50.3894 21.2384 175.7534 514 V 4.5134 8.1202 123.4919 62.1470 32.4688 174.3721 515 A 4.4075 8.0249 129.3401 50.8077 22.3195 174.1603 516 P 3.4059 0.0000 0.0000 61.6146 30.2718 177.2389 517 L 4.6004 7.3341 121.1899 54.1658 43.8184 176.0841 518 A 4.7425 8.7107 128.9178 51.6995 19.4021 177.0808 519 I 2.7350 8.3960 124.8388 60.8748 36.7775 175.6862 520 T 4.6737 7.8948 116.8456 59.1798 71.7806 174.8533 521 Y 4.0496 8.7502 123.3063 61.2828 38.6376 179.0468 522 V 3.8243 8.0580 111.2069 64.2867 31.9232 178.3389 523 R 3.9962 8.0090 118.0579 59.0419 29.9436 178.6103 524 E 4.3274 8.2882 117.0605 58.9462 29.4812 179.0993 525 K 4.0545 7.3980 116.1545 58.1395 32.1493 177.9671 526 V 4.1212 7.7845 111.2846 60.8597 33.8545 174.7605 527 I 4.4948 7.1015 110.5931 59.0713 41.0223 174.2297 528 D 4.9565 8.6193 121.7177 52.8607 43.6680 175.8855 529 F 5.4527 8.3832 117.5744 55.5427 42.7224 175.2225 530 S 4.4592 8.9554 117.8211 58.1993 63.5732 174.2004 531 K 4.2184 9.0997 120.9446 55.8950 32.6883 175.4001 532 P 4.9831 0.0000 0.0000 62.4349 31.7119 176.8458 533 F 4.7947 7.9269 116.0950 57.5226 39.0862 175.4827 534 M 4.7436 7.2134 121.2961 54.2069 35.1278 172.8884 535 T 4.7962 8.2974 115.8770 59.6648 71.4749 173.5368 536 L 4.4426 8.3255 127.9844 55.7290 41.9761 175.4380 537 G 3.8547 7.3529 103.4302 44.9757 0.0000 172.3881 538 I 4.1177 7.9900 122.6045 61.7030 38.3527 175.6921 539 S 4.8637 8.6794 118.9881 57.8244 66.1801 171.9088 540 I 4.7783 8.3401 119.2065 59.5059 40.2438 174.4923 541 L 5.1081 9.1978 129.2565 53.7823 43.9535 174.5312 542 Y 5.4676 8.7586 126.5202 56.0926 43.1556 174.1120 543 R 4.5436 7.4120 120.3831 55.5873 31.1000 177.0341 544 K 3.9666 8.5265 120.6214 56.1482 33.7902 178.2878 *555 G 4.0362 8.7204 109.8374 45.6658 0.0000 172.5131 *566 T 4.8991 7.3432 108.6058 61.0920 69.7039 172.7919 *667 P 4.5856 0.0000 0.0000 62.2978 33.3297 177.6299 668 I 3.8301 7.7379 119.0384 61.7974 37.2986 175.3812 669 D 4.7033 8.4757 120.5760 52.8497 43.8034 174.7921 670 S 4.5363 7.4955 111.3659 57.2076 66.4396 176.0084 671 A 3.9952 8.3109 123.8639 55.2383 18.0527 179.3368 672 D 4.2211 8.0353 115.9750 57.7940 41.1919 178.0584 673 D 4.4096 7.5886 117.7532 57.2391 40.7634 178.8003 674 L 3.9739 7.2073 117.2312 57.3293 41.9707 178.1457 675 A 4.1228 7.6744 121.9812 55.3137 18.3693 179.6973 676 K 4.1896 7.9181 112.0124 56.8766 32.2491 176.1216 677 Q 4.6746 7.8679 117.1661 56.1436 31.5816 173.8802 678 T 4.8150 8.2413 104.2971 61.3313 70.2277 174.7963 679 K 3.8659 8.3216 122.6749 59.9431 32.2386 176.1993 680 I 4.1960 8.2861 121.1528 61.2729 37.5624 175.7421 681 E 4.5195 8.9480 127.4271 56.3384 31.6490 174.9769 682 Y 4.8084 6.9137 116.3925 57.6012 41.2291 173.9878 683 G 5.1960 8.3339 105.1820 47.5499 0.0000 171.2886 684 A 4.9786 8.3389 120.1851 50.2233 23.6196 175.8953 685 V 4.2595 8.4123 119.1417 62.9262 32.5277 175.1427 686 E 4.2408 9.1874 130.3204 57.8243 29.8490 176.1617 687 D 4.5705 9.0850 124.3609 55.4440 38.3344 174.7466 688 G 3.9589 7.7318 106.9013 43.6117 0.0000 175.0971 689 A 4.0926 8.2649 121.4377 55.2351 18.1853 179.6627 690 T 3.9693 7.8040 113.7841 66.9681 68.6344 176.0753 691 M 4.1196 8.1048 119.3947 59.3074 32.2254 177.8517 692 T 3.7084 7.7943 115.5573 66.8134 68.3991 175.9148 693 F 3.9463 8.0332 120.7703 61.4681 39.6964 176.8269 694 F 3.9160 8.0527 116.0926 60.2059 38.5257 177.5343 695 K 2.0000 6.9598 118.1214 58.5057 31.8716 178.0199 696 K 4.1289 7.5477 115.5506 55.4556 32.6152 176.3515 697 S 4.2738 6.9108 114.9235 56.9683 63.1913 173.9025 698 K 4.3910 8.1994 124.9540 56.3362 32.9676 177.3275 699 I 3.7317 7.5509 122.1539 61.2818 38.3212 175.8861 700 S 3.9254 8.6840 118.7538 62.5050 62.1870 176.5334 701 T 3.8106 7.5151 117.0487 67.1006 68.3885 176.1514 702 Y 4.7669 7.3424 117.8324 60.7858 37.9839 177.3737 703 D 4.5421 8.6795 119.7176 57.3894 41.4961 178.1874 704 K 3.9883 8.1623 118.9748 60.2706 32.2402 179.1729 705 M 4.9170 8.3452 119.8424 57.3211 31.8758 178.7789 706 W 4.6662 9.2346 129.0310 60.6809 31.1741 177.6763 707 A 3.7792 8.6098 121.2265 55.1450 17.4884 179.2895 708 F 3.9270 7.9533 117.4540 61.7849 39.7522 177.0743 709 M 4.2584 8.0211 118.2186 58.3897 31.6608 178.9342 710 S 3.6627 7.3343 113.1548 60.3329 63.0247 175.7982 711 S 4.3253 7.0520 115.5118 59.3312 63.3600 174.7047 712 R 4.5374 7.5797 121.8052 55.6328 30.9733 176.9879 713 R 4.0726 8.0879 113.7439 58.0295 29.3313 176.9962 714 Q 4.2898 7.8831 117.4918 57.1666 29.4397 176.3685 715 S 4.6863 8.4196 110.1325 57.9193 64.6277 174.7188 716 V 4.5543 7.7113 112.6180 61.1471 34.5319 174.9240 717 L 5.0571 8.0591 120.7324 53.8350 42.6342 176.8898 718 V 4.3757 8.5800 116.9948 60.0588 34.2815 176.7916 719 K 4.4865 8.5677 119.6024 56.7908 32.8324 177.4658 720 S 4.7107 7.4976 112.6960 56.2632 66.7419 175.1550 721 N 4.6037 8.8709 120.8210 56.5581 38.2013 177.3517 722 E 3.9185 8.1375 120.2116 59.4021 29.9571 178.3259 723 E 3.9286 8.2955 119.4297 59.1715 29.5844 179.0438 724 G 2.4168 7.8070 105.9046 47.1814 0.0000 175.9237 725 I 3.7666 7.0658 120.8451 64.2223 37.3705 177.8351 726 Q 4.0420 8.1356 118.9253 59.3882 28.6312 179.3482 727 R 3.7250 7.8261 118.3487 59.6708 29.9288 179.1882 728 V 4.1723 7.3590 117.0896 65.3429 31.6501 177.2973 729 L 4.4658 8.0828 116.6132 55.5420 41.7756 177.2653 730 T 4.6414 7.1301 107.5747 60.4194 69.5373 173.1451 731 S 4.5386 7.5130 114.6784 58.4415 65.1992 176.3458 732 D 4.9069 8.0853 121.1274 53.5910 39.2697 172.9958 733 Y 5.3739 8.3747 122.1474 55.3236 43.2024 172.7715 734 A 5.1091 8.2990 127.4074 50.0571 22.1011 174.7325 735 F 5.2219 9.4587 124.3425 56.5339 42.1859 174.7388 736 L 5.0039 8.3709 126.4546 52.8707 42.0442 175.2140 737 M 4.6628 7.8212 120.8283 52.9342 35.5928 174.3410 738 E 4.5269 8.5775 117.7092 55.7941 30.7508 178.2691 739 S 4.1500 9.1223 119.2258 61.9350 62.8157 177.0886 740 T 4.0061 7.9462 113.1023 65.0425 68.4821 176.3740 741 T 4.2423 8.2133 118.2917 66.0797 68.4547 176.6177 742 I 3.7833 8.2955 122.2562 64.6496 37.0316 177.8496 743 E 4.0097 8.7667 118.8375 59.5160 29.0580 178.4631 744 F 4.3469 8.3599 120.4198 61.0901 39.5248 177.6010 745 V 3.6993 7.9956 118.2546 65.7798 31.1309 177.3153 746 T 4.1933 8.0682 106.6693 62.5739 68.6344 175.3367 747 Q 4.3361 7.2606 119.9784 58.1340 29.9750 177.3129 748 R 3.9123 7.6292 116.4316 57.9511 30.6760 176.1842 749 N 4.8383 8.0999 115.1112 51.7554 40.6858 174.5399 750 C 4.4988 8.7282 120.7798 60.2890 28.9750 174.1493 751 N 4.7010 7.9760 116.7668 52.6223 37.6735 174.2696 752 L 5.0891 7.0845 117.6741 54.3534 44.0903 175.2690 753 T 4.5803 8.8767 114.3004 61.1609 71.5949 172.0092 754 Q 4.7832 8.5811 126.6645 55.5997 29.6895 175.0130 755 I 3.9972 8.7397 128.7816 61.7258 38.0725 177.9667 756 G 3.8413 8.6407 116.0055 45.3168 0.0000 171.1104 757 G 4.2229 8.1475 108.9552 43.9294 0.0000 172.4963 758 L 4.2335 8.2293 119.8631 54.7458 42.2897 177.3074 759 I 3.9241 9.1859 126.5402 63.6536 37.6554 174.9958 760 D 4.6716 7.0917 118.3975 52.5399 42.1457 176.1050 761 S 4.8723 8.7009 108.1129 57.4363 63.3888 174.5649 762 K 4.3903 8.0920 125.2409 54.7439 36.0666 175.0418 763 G 4.1786 8.0362 106.0096 44.5233 0.0000 171.0366 764 Y 5.2799 7.9889 117.3230 56.4797 39.9992 175.5655 765 G 4.5493 8.3275 108.4882 44.6215 0.0000 171.8501 766 V 4.4216 9.2674 121.1148 61.9573 32.9616 175.1850 767 G 3.9773 9.2691 116.9107 45.9183 0.0000 172.5790 768 T 4.9788 8.1352 115.1795 58.7504 72.5720 171.9297 769 P 4.4958 0.0000 0.0000 62.6037 32.7518 175.6082 770 M 4.1838 8.3461 122.4134 57.1503 32.5785 176.6750 771 G 3.9021 9.0118 114.0350 45.2764 0.0000 173.3782 772 S 4.2574 7.7087 115.1127 57.2759 62.9364 173.4755 773 P 4.2799 0.0000 0.0000 65.3619 31.0081 178.3898 774 Y 4.0280 7.7347 115.9221 60.2417 37.6284 178.0632 775 R 3.9456 7.7440 120.3996 59.4114 30.1028 178.4361 776 K 3.9539 7.9400 118.6443 59.3728 32.3475 178.5060 777 K 3.9022 7.7070 118.8812 59.9154 32.0379 179.4116 778 I 3.9089 8.5649 120.2945 64.4691 36.9112 178.7099 779 T 3.9571 7.9893 116.8627 66.5999 68.1918 176.7290 780 I 3.6953 8.0871 121.6650 64.4145 37.1060 178.2467 781 A 4.0265 8.1788 121.5401 55.2988 18.0788 179.8655 782 I 3.7339 8.0369 118.2097 64.4497 37.2550 178.4380 783 L 3.9940 8.1248 119.9985 58.0736 41.3494 178.8985 784 Q 3.9231 8.3306 119.3380 59.8323 29.0242 178.8826 785 L 4.0403 8.2706 119.5810 57.8522 41.6441 179.8813 786 Q 4.0151 8.4999 118.3928 59.0735 28.5607 178.3819 787 E 4.1177 8.1636 118.7278 58.0198 29.6496 177.4828 788 E 4.5887 7.7653 115.6454 55.7047 30.2799 176.8543 789 G 4.0136 8.1105 108.0476 46.3846 0.0000 176.0943 790 K 4.0222 7.9769 119.9837 59.1562 31.9702 179.3016 791 L 4.0208 7.8850 118.9910 57.9241 41.6497 178.7311 792 H 4.1340 8.2471 117.6810 59.5078 29.8683 176.4744 793 M 3.9635 8.2414 120.0821 59.2533 31.8682 177.9965 794 M 4.1960 8.3555 118.6969 58.3452 32.0795 178.8022 795 K 4.2823 8.4068 119.6965 59.5779 32.1937 178.3887 796 E 3.9698 7.9912 117.8163 59.7039 29.5327 179.1164 797 K 3.9323 8.1122 117.7186 59.0149 32.3416 177.9778 798 W 4.7395 8.2403 116.1652 56.8803 29.6826 176.9598 799 W 4.7080 8.6157 124.1200 56.7978 29.0263 175.3121 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 4.27 0.00 1.82 1.96 0.00 3.15 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 432 S 8.20 4.81 0.00 3.98 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 0.00 433 L 9.84 4.43 0.00 1.48 1.26 -0.60 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 434 I 9.21 4.42 1.82 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 1.09 1.16 0.94 0.00 0.00 435 V 8.70 4.45 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 0.88 0.00 0.00 0.77 0.00 0.00 436 T 8.55 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 1.12 0.00 0.00 437 T 7.60 4.52 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 0.80 0.00 0.00 438 I 7.63 4.40 1.53 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.58 0.39 0.00 0.00 439 L 8.54 3.99 0.00 1.68 1.63 0.63 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 440 E 9.08 4.59 0.00 2.02 1.84 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 2.16 2.42 0.00 441 E 8.94 4.01 0.00 1.95 1.59 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 2.25 2.31 0.00 442 P 0.00 4.39 0.00 1.75 1.83 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 8.12 3.85 0.00 2.99 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 0.00 444 V 7.09 4.79 2.12 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 0.60 0.00 0.00 0.77 0.00 0.00 445 L 8.35 4.67 0.00 1.80 1.68 0.97 0.80 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 0.00 446 F 8.88 4.81 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.93 4.59 0.00 1.81 1.75 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.72 7.81 448 K 8.58 4.40 0.00 1.82 1.74 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.47 7.81 449 S 8.04 4.62 0.00 3.77 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 0.00 450 D 8.63 4.45 0.00 2.79 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 7.52 4.33 0.00 1.70 1.75 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.53 7.81 452 P 0.00 3.88 0.00 1.75 1.84 0.00 3.61 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 453 L 7.94 4.14 0.00 1.46 1.45 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 454 Y 8.05 4.80 0.00 3.01 2.81 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 0.00 455 G 8.50 3.79 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 0.00 0.00 0.00 456 N 8.66 4.84 0.00 2.88 3.03 0.00 0.00 6.88 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 7.75 4.52 0.00 2.61 2.72 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 0.00 0.00 0.00 0.00 458 R 7.61 3.87 0.00 0.67 1.45 0.00 3.07 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 459 F 7.32 5.50 0.00 3.02 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 0.00 460 E 9.35 4.75 0.00 2.44 2.19 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 469 E 8.19 3.91 0.00 2.08 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 2.37 2.44 0.00 470 L 8.07 3.99 0.00 1.91 1.91 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 471 S 8.14 2.79 0.00 3.80 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 0.00 472 T 7.97 3.77 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 1.18 0.00 0.00 473 I 7.85 3.72 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 1.52 0.76 0.98 0.00 0.00 474 L 7.94 4.72 0.00 2.02 1.99 1.22 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 475 G 7.71 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 0.00 476 F 7.86 5.29 0.00 3.01 3.12 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 0.00 477 T 8.66 4.82 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 1.22 0.00 0.00 478 Y 7.76 5.26 0.00 3.07 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 0.00 479 E 9.33 4.71 0.00 2.06 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 2.27 2.30 0.00 480 I 8.81 4.62 2.20 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 1.30 1.00 0.51 0.00 0.00 481 R 8.93 4.74 0.00 1.66 1.77 0.00 3.12 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 482 L 8.60 4.54 0.00 1.57 1.58 1.06 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 483 V 8.76 3.52 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.94 0.00 0.00 484 E 9.01 3.92 0.00 1.97 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 2.33 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 7.91 4.59 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.42 6.78 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 498 W 8.81 5.10 0.00 3.15 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 8.74 5.01 0.00 3.08 2.97 0.00 0.00 7.10 7.05 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 0.00 500 G 9.41 4.16 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 0.00 0.00 0.00 501 M 8.23 3.92 0.00 1.96 2.15 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 502 V 7.77 3.38 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.91 0.00 0.00 503 R 7.83 3.89 0.00 2.24 2.20 0.00 3.26 0.00 0.00 3.39 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.77 0.00 504 E 8.09 3.92 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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7.95 4.01 4.59 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 1.14 0.00 0.00 741 T 8.21 4.24 4.43 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 1.41 0.00 0.00 742 I 8.30 3.78 2.13 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 1.51 1.00 1.00 0.00 0.00 743 E 8.77 4.01 0.00 2.10 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.50 0.00 744 F 8.36 4.35 0.00 2.83 3.19 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 0.00 745 V 8.00 3.70 2.32 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 1.07 0.00 0.00 1.18 0.00 0.00 746 T 8.07 4.19 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 7.26 4.34 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.47 7.03 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 748 R 7.63 3.91 0.00 1.59 1.90 0.00 2.75 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.56 0.00 749 N 8.10 4.84 0.00 2.82 2.69 0.00 0.00 6.81 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 0.00 750 C 8.73 4.50 0.00 2.95 2.96 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 0.00 751 N 7.98 4.70 0.00 2.83 3.02 0.00 0.00 6.15 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 7.08 5.09 0.00 1.63 1.68 0.98 0.74 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 0.00 753 T 8.88 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 8.58 4.78 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.65 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 755 I 8.74 4.00 1.88 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.10 0.93 0.00 0.00 756 G 8.64 3.84 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 0.00 0.00 0.00 757 G 8.15 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 0.00 0.00 0.00 0.00 758 L 8.23 4.23 0.00 1.56 1.68 0.87 0.71 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 0.00 759 I 9.19 3.92 1.62 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.39 0.13 0.00 0.00 760 D 7.09 4.67 0.00 2.41 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 0.00 761 S 8.70 4.87 0.00 3.75 3.67 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 0.00 0.00 0.00 0.00 762 K 8.09 4.39 0.00 1.68 1.78 0.00 1.37 0.00 0.00 1.71 0.00 0.00 2.71 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.19 1.16 7.81 763 G 8.04 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 0.00 764 Y 7.99 5.28 0.00 2.02 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 0.00 0.00 0.00 0.00 765 G 8.33 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 766 V 9.27 4.42 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 0.96 0.00 0.00 1.12 0.00 0.00 767 G 9.27 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 0.00 0.00 0.00 768 T 8.14 4.98 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 1.17 0.00 0.00 769 P 0.00 4.50 0.00 1.93 2.04 0.00 3.48 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 1.92 2.06 0.00 770 M 8.35 4.18 0.00 1.91 2.05 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.49 0.00 771 G 9.01 3.90 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 0.00 0.00 0.00 772 S 7.71 4.26 0.00 3.92 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 0.00 773 P 0.00 4.28 0.00 1.91 1.94 0.00 3.61 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 774 Y 7.73 4.03 0.00 2.86 2.91 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 0.00 775 R 7.74 3.95 0.00 1.82 2.02 0.00 3.12 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 776 K 7.94 3.95 0.00 1.90 1.76 0.00 1.69 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.59 7.81 777 K 7.71 3.90 0.00 1.98 1.94 0.00 1.36 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.42 1.51 7.81 778 I 8.56 3.91 2.07 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 1.66 0.90 1.00 0.00 0.00 779 T 7.99 3.96 4.50 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 1.25 0.00 0.00 780 I 8.09 3.70 2.04 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 1.45 0.99 0.93 0.00 0.00 781 A 8.18 4.03 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 782 I 8.04 3.73 2.10 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.07 1.08 0.00 0.00 783 L 8.12 3.99 0.00 1.89 1.75 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 784 Q 8.33 3.92 0.00 2.26 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 785 L 8.27 4.04 0.00 1.97 1.74 0.97 0.95 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 0.00 786 Q 8.50 4.02 0.00 2.38 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 787 E 8.16 4.12 0.00 2.15 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 0.00 2.33 2.32 0.00 788 E 7.77 4.59 0.00 2.11 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 2.42 2.31 0.00 789 G 8.11 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 0.00 0.00 0.00 790 K 7.98 4.02 0.00 1.95 1.87 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.13 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.78 7.81 791 L 7.88 4.02 0.00 1.78 1.87 1.13 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 792 H 8.25 4.13 0.00 3.27 3.51 0.00 5.89 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 793 M 8.24 3.96 0.00 2.29 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.62 0.00 794 M 8.36 4.20 0.00 1.97 2.32 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.57 0.00 795 K 8.41 4.28 0.00 1.84 1.82 0.00 1.14 0.00 0.00 1.27 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.81 0.21 7.81 796 E 7.99 3.97 0.00 2.25 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 0.00 2.26 2.42 0.00 797 K 8.11 3.93 0.00 1.67 2.05 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.20 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.34 1.06 7.81 798 W 8.24 4.74 0.00 3.70 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 0.00 799 W 8.62 4.71 0.00 3.59 3.05 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 * Residues marked with a * may have inaccurate shift predictions.