==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE RECEPTOR 13-APR-07 2PIT . COMPND 2 MOLECULE: ANDROGEN RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.ESTEBANEZ-PERPINA,A.A.ARNOLD,J.D.BAXTER,P.WEBB,R.K.GUY, . 250 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12213.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 75.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 7 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 56.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 1 1 0 0 2 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 1 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 669 A a 0 0 126 0, 0.0 172,-0.1 0, 0.0 171,-0.0 0.000 360.0 360.0 360.0 176.6 5.6 24.6 19.9 2 670 A Q - 0 0 91 1,-0.1 5,-0.0 174,-0.1 171,-0.0 0.927 360.0-173.6 49.6 53.0 9.1 25.3 18.6 3 671 A P > - 0 0 25 0, 0.0 4,-1.9 0, 0.0 3,-0.4 -0.127 42.1 -96.4 -69.8 172.1 10.8 24.7 21.9 4 672 A I H > S+ 0 0 131 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.905 124.7 61.1 -54.0 -42.2 14.4 25.3 22.7 5 673 A F H > S+ 0 0 19 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.892 104.1 46.0 -52.6 -47.6 15.0 21.6 22.0 6 674 A L H > S+ 0 0 10 -3,-0.4 4,-2.4 1,-0.2 5,-0.3 0.895 107.6 57.3 -65.8 -40.8 13.7 21.9 18.4 7 675 A N H X S+ 0 0 77 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.921 109.1 48.5 -54.0 -44.4 15.8 25.0 17.8 8 676 A V H X S+ 0 0 38 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.948 108.9 49.3 -63.3 -52.5 18.8 22.9 18.8 9 677 A L H X S+ 0 0 4 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.912 113.3 47.4 -55.2 -45.0 18.2 19.9 16.6 10 678 A E H < S+ 0 0 74 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.857 112.6 51.4 -65.9 -33.4 17.6 22.0 13.5 11 679 A A H < S+ 0 0 84 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.836 112.3 42.4 -74.3 -34.5 20.8 24.0 14.3 12 680 A I H < S+ 0 0 39 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.465 78.8 130.7 -92.9 -1.8 23.2 21.1 14.7 13 681 A E < - 0 0 66 -4,-0.8 -3,-0.0 -3,-0.3 124,-0.0 -0.303 65.0-110.4 -56.2 124.4 21.9 19.0 11.8 14 682 A P - 0 0 37 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.138 30.1-132.6 -55.6 150.1 24.9 17.9 9.6 15 683 A G - 0 0 57 1,-0.2 2,-0.2 -3,-0.1 31,-0.0 -0.053 47.8 -45.9 -88.6-163.7 25.4 19.4 6.2 16 684 A V - 0 0 116 81,-0.0 2,-0.4 -2,-0.0 -1,-0.2 -0.445 52.7-166.0 -70.4 136.0 26.1 17.7 2.9 17 685 A V - 0 0 12 -2,-0.2 2,-0.2 79,-0.2 26,-0.1 -0.992 7.2-149.2-126.5 125.1 28.9 15.1 2.9 18 686 A C - 0 0 57 -2,-0.4 24,-0.1 79,-0.2 79,-0.0 -0.618 10.1-144.8 -92.2 154.7 30.4 13.8 -0.3 19 687 A A - 0 0 1 -2,-0.2 -1,-0.1 2,-0.1 23,-0.1 0.703 31.2-129.1 -89.9 -22.4 31.8 10.3 -0.8 20 688 A G + 0 0 49 1,-0.2 2,-0.1 18,-0.1 80,-0.1 0.693 48.6 164.1 80.0 19.6 34.6 11.3 -3.1 21 689 A H - 0 0 17 78,-0.1 2,-1.0 1,-0.1 -1,-0.2 -0.438 42.2-124.5 -73.8 143.8 33.6 8.6 -5.6 22 690 A D > - 0 0 81 1,-0.1 3,-0.7 -2,-0.1 -1,-0.1 -0.769 27.9-179.9 -90.0 98.6 34.9 8.7 -9.1 23 691 A N T 3 S+ 0 0 76 -2,-1.0 -1,-0.1 1,-0.2 4,-0.1 0.435 73.5 70.1 -80.8 2.6 31.8 8.7 -11.3 24 692 A N T 3 S+ 0 0 158 2,-0.1 -1,-0.2 -3,-0.0 3,-0.1 0.755 86.3 76.6 -87.9 -26.8 33.9 8.8 -14.5 25 693 A Q S < S- 0 0 128 -3,-0.7 3,-0.1 1,-0.1 0, 0.0 -0.586 97.8 -96.8 -85.3 145.1 35.1 5.3 -14.1 26 694 A P - 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.316 52.7 -94.0 -59.0 141.8 32.8 2.3 -14.9 27 695 A D + 0 0 35 -4,-0.1 2,-0.3 4,-0.1 3,-0.1 -0.209 49.3 174.4 -59.0 147.8 31.1 1.0 -11.7 28 696 A S > - 0 0 47 1,-0.1 4,-2.8 -3,-0.1 5,-0.3 -0.976 41.4-118.1-153.3 145.2 32.8 -2.0 -9.9 29 697 A F H > S+ 0 0 12 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.928 114.8 49.0 -49.7 -52.1 32.0 -3.8 -6.7 30 698 A A H > S+ 0 0 27 1,-0.2 4,-2.3 2,-0.2 192,-0.3 0.911 113.8 44.2 -56.5 -48.2 35.3 -2.8 -5.2 31 699 A A H > S+ 0 0 36 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.903 114.2 49.3 -66.5 -42.2 35.1 0.9 -6.1 32 700 A L H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.936 116.4 41.0 -63.4 -48.4 31.4 1.3 -5.0 33 701 A L H X S+ 0 0 6 -4,-2.6 4,-2.7 -5,-0.3 -2,-0.2 0.880 112.9 53.7 -68.9 -38.8 32.0 -0.4 -1.6 34 702 A S H X S+ 0 0 21 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.923 111.2 47.4 -61.0 -43.0 35.3 1.4 -1.0 35 703 A S H X S+ 0 0 16 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.888 110.9 51.0 -65.4 -38.2 33.5 4.7 -1.7 36 704 A L H X S+ 0 0 29 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.901 111.0 49.3 -65.0 -38.9 30.6 3.7 0.6 37 705 A N H X S+ 0 0 12 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.894 111.1 48.4 -66.2 -40.4 33.2 2.9 3.3 38 706 A E H X S+ 0 0 68 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.895 110.8 51.9 -66.0 -39.7 35.0 6.2 2.8 39 707 A L H X S+ 0 0 9 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.913 107.8 52.4 -61.7 -42.7 31.6 7.9 3.0 40 708 A G H X S+ 0 0 9 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.907 109.4 48.6 -59.1 -43.6 30.9 6.1 6.3 41 709 A E H X S+ 0 0 27 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.922 114.1 46.1 -62.3 -46.5 34.2 7.3 7.7 42 710 A R H X S+ 0 0 98 -4,-2.5 4,-1.2 1,-0.2 3,-0.3 0.922 113.6 48.4 -63.9 -44.7 33.5 10.9 6.7 43 711 A Q H X S+ 0 0 22 -4,-3.1 4,-2.9 1,-0.2 -1,-0.2 0.831 103.6 62.2 -64.6 -33.3 29.9 10.7 8.0 44 712 A L H X S+ 0 0 4 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.894 99.7 54.3 -61.2 -39.9 31.1 9.3 11.3 45 713 A V H X S+ 0 0 58 -4,-1.4 4,-1.8 -3,-0.3 -1,-0.2 0.921 112.0 44.4 -59.8 -42.7 33.2 12.4 12.0 46 714 A H H X S+ 0 0 65 -4,-1.2 4,-2.9 2,-0.2 -2,-0.2 0.908 110.7 53.9 -68.2 -41.8 30.0 14.5 11.5 47 715 A V H X S+ 0 0 11 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.898 108.4 50.4 -59.4 -41.5 27.9 12.1 13.6 48 716 A V H X S+ 0 0 49 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.933 113.0 44.4 -62.8 -46.8 30.4 12.4 16.5 49 717 A K H X S+ 0 0 141 -4,-1.8 4,-0.7 -5,-0.2 -2,-0.2 0.901 115.0 50.5 -63.8 -41.3 30.3 16.3 16.3 50 718 A W H >< S+ 0 0 12 -4,-2.9 3,-0.8 1,-0.2 4,-0.2 0.933 110.5 48.1 -60.8 -50.4 26.5 16.2 16.0 51 719 A A H >< S+ 0 0 0 -4,-2.9 3,-1.6 1,-0.2 6,-0.2 0.879 106.8 55.0 -61.4 -41.1 26.0 13.9 19.0 52 720 A K H 3< S+ 0 0 91 -4,-2.1 6,-0.3 1,-0.3 -1,-0.2 0.710 107.7 53.0 -67.1 -16.5 28.3 15.9 21.3 53 721 A A T << S+ 0 0 46 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.438 85.3 111.1 -96.1 -2.1 26.1 18.9 20.5 54 722 A L S X> S- 0 0 4 -3,-1.6 3,-1.9 -4,-0.2 4,-0.5 -0.489 85.8 -89.8 -74.7 141.4 22.9 17.1 21.4 55 723 A P T 34 S- 0 0 43 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.268 108.1 -4.3 -52.6 125.6 21.1 18.3 24.5 56 724 A G T >4 S+ 0 0 32 -4,-0.1 3,-1.6 1,-0.1 4,-0.4 0.295 95.7 117.4 75.7 -8.3 22.4 16.4 27.5 57 725 A F G X4 S+ 0 0 0 -3,-1.9 3,-1.6 1,-0.3 -5,-0.1 0.886 71.1 57.6 -58.5 -42.2 24.6 14.0 25.6 58 726 A R G 3< S+ 0 0 154 -4,-0.5 -1,-0.3 -6,-0.3 4,-0.1 0.525 94.0 70.2 -67.7 -5.5 27.8 15.3 27.2 59 727 A N G < S+ 0 0 121 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.706 79.6 92.2 -83.6 -21.7 26.3 14.3 30.6 60 728 A L S < S- 0 0 5 -3,-1.6 5,-0.1 -4,-0.4 96,-0.1 -0.354 99.7 -84.9 -68.3 153.6 26.6 10.6 29.8 61 729 A H >> - 0 0 75 94,-0.2 4,-2.0 1,-0.1 3,-0.8 -0.321 41.6-117.3 -57.3 143.4 29.8 8.9 31.0 62 730 A V H 3> S+ 0 0 93 1,-0.3 4,-1.8 2,-0.2 5,-0.2 0.821 115.6 52.3 -54.8 -34.8 32.5 9.5 28.4 63 731 A D H 3> S+ 0 0 74 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.820 109.1 50.3 -72.3 -29.5 32.8 5.7 27.7 64 732 A D H <> S+ 0 0 5 -3,-0.8 4,-2.8 2,-0.2 5,-0.2 0.830 105.9 56.4 -75.6 -32.8 29.0 5.5 27.2 65 733 A Q H X S+ 0 0 28 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.954 111.8 41.6 -62.0 -50.1 29.1 8.4 24.8 66 734 A M H X S+ 0 0 105 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.893 114.8 53.5 -64.6 -39.5 31.7 6.6 22.6 67 735 A A H X S+ 0 0 14 -4,-1.8 4,-1.8 2,-0.2 5,-0.2 0.940 107.4 47.5 -62.4 -50.9 29.8 3.3 23.0 68 736 A V H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.871 114.0 49.1 -62.2 -34.0 26.3 4.6 21.9 69 737 A I H X S+ 0 0 12 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.2 0.928 110.1 50.8 -68.9 -44.1 27.9 6.2 18.9 70 738 A Q H < S+ 0 0 15 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.778 117.8 39.4 -64.6 -27.6 29.8 3.1 18.0 71 739 A Y H < S+ 0 0 20 -4,-1.8 4,-0.3 76,-0.2 3,-0.3 0.818 120.8 40.4 -91.1 -33.9 26.6 1.0 18.2 72 740 A S H X S+ 0 0 4 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.547 82.9 94.9 -95.7 -8.9 24.1 3.3 16.6 73 741 A W H X S+ 0 0 10 -4,-1.7 4,-2.7 1,-0.2 5,-0.2 0.843 83.3 54.4 -53.4 -38.9 25.9 4.9 13.7 74 742 A M H > S+ 0 0 18 -3,-0.3 4,-2.4 2,-0.2 5,-0.2 0.961 112.6 41.9 -62.2 -50.3 24.6 2.4 11.1 75 743 A G H > S+ 0 0 6 -4,-0.3 4,-2.4 1,-0.2 5,-0.2 0.911 115.1 51.3 -62.4 -42.4 21.0 3.1 12.0 76 744 A L H X S+ 0 0 6 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.937 113.7 43.8 -59.1 -47.8 21.5 6.8 12.3 77 745 A M H X S+ 0 0 30 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.857 113.7 49.1 -68.3 -38.0 23.2 7.0 8.8 78 746 A V H X S+ 0 0 8 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.901 111.8 50.1 -68.1 -40.3 20.7 4.7 7.1 79 747 A F H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.926 112.6 45.9 -64.0 -45.7 17.8 6.8 8.5 80 748 A A H X S+ 0 0 16 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.885 112.6 51.8 -65.2 -37.4 19.4 10.1 7.4 81 749 A M H X S+ 0 0 3 -4,-2.1 4,-2.5 1,-0.2 14,-0.4 0.898 106.5 53.0 -65.5 -41.5 20.1 8.5 4.0 82 750 A G H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.882 110.7 48.5 -60.3 -37.9 16.5 7.4 3.6 83 751 A W H X S+ 0 0 39 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.930 110.7 49.3 -68.1 -46.6 15.4 11.0 4.4 84 752 A R H X S+ 0 0 58 -4,-2.5 4,-2.4 1,-0.2 5,-0.4 0.870 111.4 50.8 -58.8 -40.7 17.9 12.5 1.8 85 753 A S H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 6,-2.0 0.899 111.2 47.4 -65.2 -43.0 16.7 10.0 -0.8 86 754 A F H X S+ 0 0 49 -4,-1.9 4,-1.1 4,-0.3 -2,-0.2 0.935 118.2 39.6 -64.9 -48.0 13.0 10.9 -0.2 87 755 A T H < S+ 0 0 71 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.827 124.5 37.4 -73.7 -31.9 13.5 14.6 -0.3 88 756 A N H < S+ 0 0 78 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.919 137.4 7.7 -87.8 -46.5 16.0 14.7 -3.1 89 757 A V H >< S- 0 0 17 -4,-2.0 3,-2.3 -5,-0.4 -3,-0.2 0.137 95.4-111.2-125.0 21.1 14.8 12.0 -5.5 90 758 A N T 3< S- 0 0 102 -4,-1.1 -4,-0.3 1,-0.3 -3,-0.1 0.863 75.2 -62.3 51.2 40.5 11.5 10.9 -4.1 91 759 A S T 3 S+ 0 0 9 -6,-2.0 -1,-0.3 2,-0.2 -5,-0.2 0.568 106.8 125.8 64.6 11.3 13.0 7.5 -3.2 92 760 A R S < S+ 0 0 164 -3,-2.3 2,-0.3 -7,-0.4 -2,-0.1 0.848 81.4 7.3 -66.4 -33.7 13.7 6.7 -6.8 93 761 A M S S- 0 0 59 -8,-0.2 2,-0.8 -4,-0.1 -4,-0.2 -0.903 87.5 -96.2-140.8 167.1 17.3 6.1 -5.9 94 762 A L E -A 102 0A 0 8,-2.0 8,-2.7 -2,-0.3 2,-1.5 -0.816 32.3-155.9 -92.9 111.1 19.4 5.8 -2.8 95 763 A Y E +A 101 0A 50 -2,-0.8 6,-0.2 -14,-0.4 -11,-0.1 -0.594 30.3 156.8 -87.5 75.4 21.0 9.2 -2.3 96 764 A F E S- 0 0 19 -2,-1.5 -1,-0.2 4,-0.9 5,-0.2 0.934 74.6 -19.6 -64.7 -46.5 24.1 8.2 -0.2 97 765 A A E > S-A 100 0A 1 3,-1.5 3,-2.4 -3,-0.3 -1,-0.3 -0.966 70.6 -99.8-155.5 160.5 25.9 11.4 -1.2 98 766 A P T 3 S+ 0 0 56 0, 0.0 3,-0.2 0, 0.0 -80,-0.1 0.836 128.7 39.8 -54.2 -32.3 25.7 13.9 -4.1 99 767 A D T 3 S+ 0 0 32 1,-0.2 -78,-0.1 -4,-0.0 2,-0.1 0.143 116.0 53.8-103.3 17.2 28.5 12.0 -5.7 100 768 A L E < +A 97 0A 0 -3,-2.4 -3,-1.5 -80,-0.1 -4,-0.9 -0.563 64.0 156.6-152.2 80.2 27.3 8.6 -4.8 101 769 A V E -A 95 0A 30 -3,-0.2 2,-0.6 -6,-0.2 -6,-0.2 -0.929 30.9-141.4-110.6 129.6 23.7 7.9 -5.9 102 770 A F E -A 94 0A 0 -8,-2.7 -8,-2.0 -2,-0.5 2,-0.2 -0.819 18.2-179.2 -98.7 119.7 22.5 4.3 -6.4 103 771 A N > - 0 0 68 -2,-0.6 4,-2.1 -10,-0.2 3,-0.3 -0.459 54.5 -84.7 -96.9 179.0 20.2 3.4 -9.2 104 772 A E H > S+ 0 0 94 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.866 129.4 57.9 -54.9 -39.4 19.0 -0.2 -9.6 105 773 A Y H > S+ 0 0 127 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.932 109.0 43.5 -58.2 -47.5 22.1 -1.1 -11.6 106 774 A R H > S+ 0 0 22 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.862 107.3 59.7 -67.5 -34.8 24.4 0.0 -8.7 107 775 A M H <>S+ 0 0 2 -4,-2.1 5,-0.9 1,-0.2 -1,-0.2 0.885 112.8 41.0 -58.5 -36.0 22.2 -1.7 -6.2 108 776 A H H ><5S+ 0 0 132 -4,-1.8 3,-1.8 -5,-0.2 -2,-0.2 0.924 113.3 50.7 -75.8 -48.1 23.0 -4.8 -8.1 109 777 A K H 3<5S+ 0 0 75 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.810 103.1 62.5 -60.0 -31.4 26.7 -4.1 -8.8 110 778 A S T 3<5S- 0 0 0 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.568 103.0-132.9 -71.3 -11.1 27.1 -3.4 -5.0 111 779 A R T < 5S+ 0 0 153 -3,-1.8 -3,-0.1 -5,-0.1 -2,-0.1 0.678 88.0 90.5 64.6 17.8 26.1 -7.1 -4.3 112 780 A M >< + 0 0 9 -5,-0.9 4,-2.1 1,-0.1 5,-0.2 -0.310 41.6 139.4-135.2 48.9 23.7 -5.9 -1.6 113 781 A Y H > S+ 0 0 89 -5,-0.2 4,-2.1 2,-0.2 5,-0.1 0.933 71.1 50.0 -59.9 -50.8 20.6 -5.5 -3.7 114 782 A S H > S+ 0 0 70 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.912 111.2 49.9 -57.5 -42.5 18.2 -6.9 -1.1 115 783 A Q H > S+ 0 0 28 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.898 109.4 51.3 -63.9 -38.8 19.6 -4.6 1.5 116 784 A C H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.845 105.6 57.4 -65.9 -32.9 19.2 -1.6 -0.8 117 785 A V H X S+ 0 0 45 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.947 107.6 45.7 -62.0 -48.6 15.6 -2.7 -1.4 118 786 A R H X S+ 0 0 90 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.904 113.6 50.6 -61.2 -40.8 14.8 -2.5 2.3 119 787 A M H X S+ 0 0 3 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.882 110.6 47.8 -65.7 -38.5 16.6 0.9 2.5 120 788 A R H X S+ 0 0 50 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.865 110.3 54.0 -69.6 -32.8 14.6 2.2 -0.5 121 789 A H H X S+ 0 0 86 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.922 107.3 49.9 -64.7 -42.9 11.5 0.9 1.2 122 790 A L H X S+ 0 0 2 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5,-0.2 -0.495 20.1-112.0 -87.8 159.1 7.7 16.2 8.8 133 801 A P H > S+ 0 0 68 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.889 120.5 49.9 -55.1 -40.2 11.3 17.6 9.0 134 802 A Q H > S+ 0 0 64 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.914 110.3 48.5 -65.8 -44.3 10.8 18.1 12.8 135 803 A E H > S+ 0 0 7 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.941 112.3 50.1 -61.3 -45.5 9.5 14.5 13.2 136 804 A F H X S+ 0 0 3 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.943 110.2 50.6 -55.9 -50.6 12.5 13.2 11.2 137 805 A L H X S+ 0 0 17 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.903 113.1 43.9 -56.9 -45.2 14.9 15.3 13.4 138 806 A C H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.880 113.1 51.5 -70.5 -36.7 13.5 14.0 16.7 139 807 A M H X S+ 0 0 0 -4,-2.5 4,-1.5 -5,-0.2 -2,-0.2 0.907 108.9 51.3 -65.1 -41.8 13.3 10.4 15.5 140 808 A K H X S+ 0 0 10 -4,-2.7 4,-0.9 -5,-0.2 3,-0.3 0.923 108.5 50.7 -62.9 -43.1 16.9 10.5 14.4 141 809 A A H >X S+ 0 0 0 -4,-1.9 3,-1.3 1,-0.2 4,-0.5 0.943 108.8 52.7 -58.8 -45.1 18.1 11.9 17.7 142 810 A L H >< S+ 0 0 0 -4,-2.2 3,-1.0 1,-0.3 -1,-0.2 0.804 98.3 65.8 -61.3 -28.6 16.2 9.1 19.4 143 811 A L H >< S+ 0 0 3 -4,-1.5 3,-1.5 -3,-0.3 -1,-0.3 0.796 91.0 63.0 -64.3 -28.2 18.0 6.5 17.2 144 812 A L H << S+ 0 0 0 -3,-1.3 3,-0.3 -4,-0.9 -1,-0.3 0.794 107.7 44.0 -66.0 -25.4 21.3 7.5 18.9 145 813 A F T << S+ 0 0 0 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 -0.056 92.2 90.7-108.1 31.1 19.8 6.1 22.1 146 814 A S S < S+ 0 0 4 -3,-1.5 100,-2.9 1,-0.2 2,-0.3 0.224 78.0 50.9-113.8 15.5 18.2 3.0 20.6 147 815 A I E +B 245 0B 4 -3,-0.3 -1,-0.2 98,-0.3 -76,-0.2 -0.881 59.2 148.9-155.7 119.8 20.9 0.3 21.0 148 816 A I E -B 244 0B 20 96,-1.8 96,-2.1 -2,-0.3 5,-0.1 -0.951 49.6 -73.6-146.0 164.6 22.9 -0.7 24.0 149 817 A P E > -B 243 0B 25 0, 0.0 3,-2.3 0, 0.0 94,-0.3 -0.286 38.1-125.4 -61.5 142.2 24.6 -3.7 25.7 150 818 A V T 3 S+ 0 0 84 92,-2.9 93,-0.1 1,-0.3 3,-0.1 0.820 113.3 52.2 -57.2 -31.4 22.3 -6.3 27.2 151 819 A D T 3 S- 0 0 162 91,-0.5 -1,-0.3 1,-0.3 92,-0.1 0.318 118.2-113.1 -88.6 8.3 24.2 -5.9 30.5 152 820 A G < - 0 0 25 -3,-2.3 -1,-0.3 3,-0.1 2,-0.1 -0.026 30.9 -72.5 86.2 169.1 23.7 -2.2 30.4 153 821 A L > - 0 0 22 -3,-0.1 3,-0.7 -5,-0.1 4,-0.1 -0.323 51.4 -91.3 -92.9 179.1 26.0 0.8 30.1 154 822 A K T 3 S+ 0 0 132 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.912 125.5 15.1 -57.4 -45.3 28.5 2.3 32.6 155 823 A N T 3> S+ 0 0 54 1,-0.1 4,-1.5 -94,-0.1 -1,-0.3 -0.693 72.0 169.6-134.3 79.3 25.7 4.6 33.9 156 824 A Q H <> S+ 0 0 42 -3,-0.7 4,-4.0 -2,-0.3 5,-0.3 0.839 73.3 66.1 -57.9 -39.6 22.4 3.2 32.7 157 825 A K H > S+ 0 0 162 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.934 104.8 42.9 -48.6 -55.6 20.4 5.6 35.0 158 826 A F H > S+ 0 0 93 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.873 116.1 48.5 -60.9 -41.1 21.6 8.7 33.1 159 827 A F H X S+ 0 0 0 -4,-1.5 4,-3.1 2,-0.2 5,-0.3 0.948 110.4 51.2 -64.8 -48.1 21.1 7.0 29.7 160 828 A D H X S+ 0 0 84 -4,-4.0 4,-2.1 1,-0.2 -2,-0.2 0.900 112.3 46.9 -54.9 -43.8 17.6 5.9 30.7 161 829 A E H X S+ 0 0 107 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.917 112.9 48.4 -65.5 -44.6 16.7 9.4 31.8 162 830 A L H X S+ 0 0 21 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.937 112.1 48.9 -62.5 -46.0 18.2 11.0 28.7 163 831 A R H X S+ 0 0 26 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.903 109.2 53.5 -60.6 -41.4 16.3 8.5 26.4 164 832 A M H X S+ 0 0 94 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.915 108.1 50.2 -59.9 -43.2 13.1 9.2 28.3 165 833 A N H X S+ 0 0 56 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.855 108.3 51.7 -65.8 -34.8 13.5 12.9 27.7 166 834 A Y H X S+ 0 0 4 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.862 108.8 51.2 -70.3 -33.6 14.1 12.5 24.0 167 835 A I H X S+ 0 0 33 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.920 108.7 52.3 -66.0 -42.2 10.9 10.3 23.8 168 836 A K H X S+ 0 0 110 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.885 105.0 55.0 -60.2 -39.7 9.1 13.1 25.6 169 837 A E H X S+ 0 0 32 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.896 106.0 51.7 -62.1 -38.7 10.3 15.6 23.0 170 838 A L H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.898 107.2 54.1 -63.8 -39.0 8.9 13.5 20.2 171 839 A D H X S+ 0 0 68 -4,-1.9 4,-3.1 1,-0.2 5,-0.3 0.952 107.8 49.4 -58.0 -50.9 5.6 13.5 22.1 172 840 A R H X S+ 0 0 124 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.913 110.2 50.6 -54.9 -46.6 5.6 17.3 22.2 173 841 A I H < S+ 0 0 24 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.891 113.2 46.2 -60.7 -39.9 6.3 17.5 18.5 174 842 A I H < S+ 0 0 2 -4,-2.3 3,-0.4 1,-0.2 4,-0.4 0.947 110.9 50.4 -67.8 -49.3 3.4 15.1 17.8 175 843 A A H >< S+ 0 0 57 -4,-3.1 2,-0.9 1,-0.3 3,-0.6 0.707 91.2 83.9 -62.6 -19.8 0.9 16.9 20.0 176 844 A a T 3< S+ 0 0 51 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.1 -0.032 107.2 18.4 -77.5 35.9 1.9 20.1 18.3 177 845 A K T 3 S+ 0 0 181 -2,-0.9 2,-0.8 -3,-0.4 -1,-0.2 0.302 98.7 95.7-179.0 -1.3 -0.6 19.5 15.4 178 846 A R < + 0 0 66 -3,-0.6 6,-0.1 -4,-0.4 -1,-0.1 -0.787 37.6 172.3-109.3 88.9 -3.0 16.9 16.6 179 847 A K + 0 0 207 -2,-0.8 -1,-0.2 -3,-0.1 -4,-0.0 0.939 67.5 66.9 -58.4 -48.4 -6.1 18.7 17.9 180 848 A N S > S- 0 0 87 -3,-0.2 4,-1.0 1,-0.1 3,-0.4 -0.568 82.0-137.1 -78.7 135.8 -8.0 15.4 18.2 181 849 A P H > S+ 0 0 98 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.587 99.4 61.8 -66.7 -12.2 -6.7 12.9 20.9 182 850 A T H > S+ 0 0 101 2,-0.2 4,-2.0 1,-0.1 5,-0.1 0.893 100.6 48.3 -82.1 -43.8 -7.1 10.0 18.5 183 851 A S H > S+ 0 0 24 -3,-0.4 4,-2.1 1,-0.2 -1,-0.1 0.771 107.1 59.0 -68.0 -26.7 -4.7 11.1 15.8 184 852 A C H X S+ 0 0 39 -4,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.917 107.7 44.1 -68.8 -44.4 -2.0 11.8 18.4 185 853 A S H X S+ 0 0 85 -4,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.930 113.4 51.1 -65.4 -46.9 -2.0 8.2 19.7 186 854 A R H X S+ 0 0 102 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.913 107.9 53.8 -56.6 -45.4 -2.0 6.9 16.1 187 855 A R H X S+ 0 0 11 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.921 107.4 48.1 -58.3 -49.0 1.0 9.1 15.2 188 856 A F H X S+ 0 0 57 -4,-1.8 4,-2.5 1,-0.2 5,-0.3 0.921 112.1 51.6 -58.6 -43.3 3.2 7.9 18.1 189 857 A Y H X S+ 0 0 128 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.956 111.7 46.9 -56.6 -51.7 2.3 4.3 17.1 190 858 A Q H X S+ 0 0 50 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.923 113.5 46.5 -57.2 -50.4 3.3 5.0 13.5 191 859 A L H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.873 111.1 51.0 -64.2 -38.0 6.5 6.7 14.3 192 860 A T H X S+ 0 0 2 -4,-2.5 4,-2.2 -5,-0.2 56,-0.3 0.836 110.4 51.2 -68.9 -30.2 7.7 4.1 16.8 193 861 A K H X S+ 0 0 85 -4,-1.8 4,-1.9 -5,-0.3 -2,-0.2 0.911 111.0 47.7 -70.0 -41.7 6.9 1.4 14.2 194 862 A L H X S+ 0 0 5 -4,-2.3 4,-0.6 2,-0.2 -2,-0.2 0.943 111.2 50.7 -63.4 -46.6 9.0 3.3 11.7 195 863 A L H >X S+ 0 0 4 -4,-2.9 3,-1.3 1,-0.2 4,-0.6 0.915 110.0 49.9 -56.6 -46.2 11.8 3.7 14.2 196 864 A D H >< S+ 0 0 15 -4,-2.2 3,-1.0 1,-0.3 -1,-0.2 0.867 100.9 64.2 -60.8 -37.9 11.8 -0.0 14.9 197 865 A S H 3X S+ 0 0 42 -4,-1.9 4,-0.7 1,-0.3 -1,-0.3 0.658 92.3 65.8 -62.1 -15.6 11.9 -0.8 11.2 198 866 A V H S+ 0 0 38 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.879 113.2 50.0 -62.8 -34.0 16.5 -5.0 11.1 201 869 A I H X S+ 0 0 7 -4,-0.7 4,-2.0 2,-0.2 -2,-0.2 0.927 110.8 48.4 -68.0 -44.6 17.9 -3.0 8.2 202 870 A A H X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.873 109.6 53.9 -63.7 -36.0 20.9 -1.9 10.3 203 871 A R H X S+ 0 0 101 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.922 107.5 49.0 -65.5 -43.0 21.4 -5.5 11.4 204 872 A E H X S+ 0 0 55 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.889 113.1 47.8 -63.7 -37.3 21.5 -6.8 7.8 205 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