==== 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 2PIV . 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, . 249 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12104.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 75.9 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 . 27 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 56.2 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 1 0 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 1 670 A Q 0 0 96 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 162.4 10.2 26.3 19.6 2 671 A P > - 0 0 53 0, 0.0 4,-1.9 0, 0.0 5,-0.1 -0.236 360.0-105.3 -68.4 169.9 11.4 24.9 23.0 3 672 A I H > S+ 0 0 129 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.924 119.4 58.3 -59.4 -46.4 15.1 25.0 23.8 4 673 A F H > S+ 0 0 21 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.891 107.5 46.5 -50.8 -46.0 15.4 21.3 23.2 5 674 A L H > S+ 0 0 15 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.880 107.5 56.2 -67.6 -39.9 14.2 21.7 19.6 6 675 A N H X S+ 0 0 76 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.903 108.8 48.9 -58.7 -41.0 16.4 24.7 18.9 7 676 A V H X S+ 0 0 41 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.933 109.4 50.0 -65.0 -48.6 19.5 22.6 19.9 8 677 A L H X S+ 0 0 2 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.888 113.9 45.0 -58.5 -41.4 18.6 19.6 17.7 9 678 A E H < S+ 0 0 81 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.810 114.2 50.9 -73.7 -28.9 18.0 21.8 14.6 10 679 A A H < S+ 0 0 83 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.849 112.7 42.2 -77.0 -36.9 21.2 23.7 15.3 11 680 A I H < S+ 0 0 37 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.514 80.2 128.4 -88.9 -5.7 23.6 20.8 15.7 12 681 A E < - 0 0 62 -4,-0.7 -3,-0.0 -5,-0.2 -4,-0.0 -0.307 67.1-113.6 -55.6 117.8 22.1 18.8 12.8 13 682 A P - 0 0 37 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.152 29.6-129.5 -52.9 146.9 25.2 17.8 10.6 14 683 A G - 0 0 58 1,-0.2 2,-0.1 -3,-0.1 31,-0.0 -0.042 47.9 -46.1 -85.6-166.4 25.4 19.4 7.2 15 684 A V - 0 0 114 1,-0.0 2,-0.5 81,-0.0 -1,-0.2 -0.385 54.3-162.5 -66.1 136.6 26.0 17.8 3.8 16 685 A V - 0 0 12 -3,-0.1 2,-0.2 -2,-0.1 26,-0.1 -0.980 5.7-147.5-126.9 122.4 28.7 15.2 3.7 17 686 A C - 0 0 65 -2,-0.5 24,-0.1 79,-0.1 79,-0.0 -0.570 8.5-147.2 -87.2 151.8 30.3 14.0 0.4 18 687 A A - 0 0 1 -2,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.643 31.3-130.2 -90.2 -18.4 31.7 10.5 -0.1 19 688 A G + 0 0 49 1,-0.2 2,-0.2 18,-0.1 80,-0.0 0.725 48.1 164.1 75.1 21.4 34.4 11.6 -2.4 20 689 A H - 0 0 13 1,-0.1 2,-1.3 14,-0.1 -1,-0.2 -0.525 41.2-128.9 -76.4 137.3 33.4 8.9 -4.9 21 690 A D > - 0 0 87 -2,-0.2 3,-2.4 1,-0.2 -1,-0.1 -0.689 21.7-173.8 -88.7 90.1 34.7 9.2 -8.4 22 691 A N T 3 S+ 0 0 81 -2,-1.3 -1,-0.2 1,-0.3 4,-0.1 0.537 76.9 78.8 -61.3 -4.6 31.6 8.9 -10.5 23 692 A N T 3 S+ 0 0 133 2,-0.1 -1,-0.3 -3,-0.0 -2,-0.1 0.558 82.5 81.3 -80.1 -8.7 33.9 8.9 -13.5 24 693 A Q S < S- 0 0 106 -3,-2.4 3,-0.0 1,-0.1 -4,-0.0 -0.785 94.1 -99.7-100.7 142.9 34.6 5.2 -12.7 25 694 A P - 0 0 100 0, 0.0 2,-1.5 0, 0.0 5,-0.1 -0.199 47.3 -95.6 -56.0 148.7 32.3 2.3 -13.7 26 695 A D + 0 0 38 -4,-0.1 2,-0.3 4,-0.1 3,-0.0 -0.531 61.1 163.6 -73.1 92.0 30.1 1.0 -11.0 27 696 A S > - 0 0 52 -2,-1.5 4,-2.8 1,-0.1 5,-0.3 -0.768 48.4-118.2-107.9 156.1 32.1 -1.9 -9.6 28 697 A F H > S+ 0 0 15 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.934 114.4 48.8 -56.5 -49.3 31.6 -3.7 -6.3 29 698 A A H > S+ 0 0 25 1,-0.2 4,-1.8 2,-0.2 192,-0.4 0.920 114.9 43.5 -58.0 -47.8 35.0 -2.7 -5.0 30 699 A A H > S+ 0 0 26 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.902 115.2 48.4 -66.7 -43.6 34.7 1.0 -6.0 31 700 A L H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.945 115.9 41.5 -63.4 -49.0 31.1 1.3 -4.7 32 701 A L H X S+ 0 0 7 -4,-2.6 4,-2.0 -5,-0.3 -1,-0.2 0.835 111.2 56.9 -70.3 -32.8 31.7 -0.3 -1.3 33 702 A S H X S+ 0 0 20 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.2 0.918 109.6 45.5 -63.9 -41.7 35.1 1.5 -0.9 34 703 A S H X S+ 0 0 15 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.877 109.8 55.0 -68.5 -37.3 33.3 4.8 -1.3 35 704 A L H X S+ 0 0 27 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.877 109.8 47.5 -62.7 -36.0 30.6 3.8 1.1 36 705 A N H X S+ 0 0 12 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.915 110.6 49.9 -71.0 -43.5 33.2 3.0 3.7 37 706 A E H X S+ 0 0 69 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.884 111.6 50.3 -61.5 -38.4 35.0 6.3 3.2 38 707 A L H X S+ 0 0 9 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.896 108.4 52.2 -65.3 -42.1 31.6 8.0 3.5 39 708 A G H X S+ 0 0 9 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.915 108.9 50.5 -61.0 -41.0 31.0 6.0 6.8 40 709 A E H X S+ 0 0 27 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.943 113.4 44.7 -61.3 -49.2 34.4 7.2 8.1 41 710 A R H X S+ 0 0 91 -4,-2.3 4,-1.3 1,-0.2 3,-0.5 0.929 113.6 49.3 -61.6 -47.5 33.5 10.9 7.3 42 711 A Q H X S+ 0 0 24 -4,-3.1 4,-2.8 1,-0.2 -1,-0.2 0.838 103.2 62.6 -61.6 -32.9 30.0 10.6 8.7 43 712 A L H X S+ 0 0 6 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.896 99.8 53.5 -60.8 -40.6 31.4 9.1 11.8 44 713 A V H X S+ 0 0 58 -4,-1.3 4,-1.8 -3,-0.5 -1,-0.2 0.914 111.9 44.6 -60.2 -44.2 33.4 12.3 12.6 45 714 A H H X S+ 0 0 64 -4,-1.3 4,-3.3 1,-0.2 -2,-0.2 0.894 110.2 55.0 -67.9 -41.2 30.2 14.3 12.3 46 715 A V H X S+ 0 0 11 -4,-2.8 4,-3.2 1,-0.2 5,-0.2 0.909 107.3 50.9 -57.7 -44.7 28.2 11.8 14.4 47 716 A V H X S+ 0 0 53 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.946 114.3 42.3 -58.3 -49.2 30.8 12.1 17.2 48 717 A K H X S+ 0 0 141 -4,-1.8 4,-0.8 1,-0.2 -2,-0.2 0.914 115.3 51.7 -64.3 -43.6 30.6 16.0 17.2 49 718 A W H >< S+ 0 0 12 -4,-3.3 3,-0.7 1,-0.2 4,-0.2 0.937 111.0 46.9 -57.2 -50.7 26.8 15.8 16.8 50 719 A A H >< S+ 0 0 0 -4,-3.2 3,-2.3 1,-0.2 6,-0.2 0.931 108.9 52.3 -59.2 -51.4 26.5 13.4 19.8 51 720 A K H 3< S+ 0 0 88 -4,-2.3 6,-0.3 1,-0.3 -1,-0.2 0.682 108.2 54.8 -61.1 -15.0 28.7 15.4 22.1 52 721 A A T << S+ 0 0 46 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.436 85.5 109.0 -96.7 -3.5 26.6 18.4 21.3 53 722 A L S X> S- 0 0 5 -3,-2.3 3,-1.9 -4,-0.2 4,-0.5 -0.548 85.7 -92.7 -77.0 138.0 23.4 16.6 22.3 54 723 A P T 34 S- 0 0 44 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.263 106.4 -2.2 -52.0 121.4 21.7 17.8 25.5 55 724 A G T >4 S+ 0 0 36 -4,-0.1 3,-1.5 1,-0.1 4,-0.4 0.275 95.6 117.0 80.6 -9.3 23.0 15.7 28.5 56 725 A F G X4 S+ 0 0 0 -3,-1.9 3,-2.1 1,-0.3 -5,-0.1 0.905 73.0 55.2 -57.2 -47.0 25.2 13.5 26.4 57 726 A R G 3< S+ 0 0 153 -4,-0.5 -1,-0.3 1,-0.3 4,-0.1 0.637 92.6 74.1 -61.7 -13.8 28.3 14.7 28.2 58 727 A N G < S+ 0 0 64 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.738 82.0 86.8 -71.0 -21.1 26.6 13.7 31.5 59 728 A L S < S- 0 0 4 -3,-2.1 5,-0.1 -4,-0.4 96,-0.1 -0.438 101.1 -85.6 -77.1 153.8 27.3 10.0 30.5 60 729 A H >> - 0 0 64 94,-0.2 4,-1.9 1,-0.1 3,-0.7 -0.324 39.6-117.8 -58.7 139.9 30.6 8.5 31.5 61 730 A V H 3> S+ 0 0 95 1,-0.3 4,-1.5 2,-0.2 5,-0.2 0.840 115.6 50.9 -48.6 -40.9 33.2 9.2 28.8 62 731 A D H 3> S+ 0 0 84 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.855 109.1 50.0 -67.5 -36.4 33.6 5.5 28.1 63 732 A D H <> S+ 0 0 7 -3,-0.7 4,-2.4 2,-0.2 5,-0.2 0.773 104.3 60.9 -72.0 -25.8 29.8 5.0 27.7 64 733 A Q H X S+ 0 0 26 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.926 109.8 39.7 -65.8 -45.4 29.8 8.0 25.3 65 734 A M H X S+ 0 0 108 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.836 114.0 56.2 -72.3 -34.1 32.1 6.2 22.9 66 735 A A H X S+ 0 0 14 -4,-1.8 4,-1.3 2,-0.2 5,-0.2 0.966 107.4 45.4 -61.9 -57.2 30.4 2.9 23.4 67 736 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.857 115.3 49.4 -57.3 -37.8 26.9 4.1 22.5 68 737 A I H X S+ 0 0 11 -4,-1.3 4,-1.5 -5,-0.2 -1,-0.2 0.925 109.2 50.6 -66.4 -45.8 28.3 5.9 19.4 69 738 A Q H < S+ 0 0 23 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.684 117.4 42.1 -67.6 -17.9 30.3 2.8 18.3 70 739 A Y H < S+ 0 0 18 -4,-1.3 4,-0.3 76,-0.2 -1,-0.2 0.770 120.5 36.3 -97.7 -32.4 27.2 0.7 18.6 71 740 A S H X S+ 0 0 5 -4,-2.1 4,-2.6 -5,-0.2 5,-0.2 0.468 83.3 98.6-104.1 1.7 24.5 3.0 17.1 72 741 A W H X S+ 0 0 11 -4,-1.5 4,-2.6 1,-0.2 5,-0.2 0.875 84.5 53.0 -56.2 -39.3 26.4 4.7 14.3 73 742 A M H > S+ 0 0 18 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.969 111.9 42.6 -60.9 -53.0 24.9 2.3 11.7 74 743 A G H > S+ 0 0 5 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.875 114.5 52.6 -61.1 -37.6 21.3 2.9 12.8 75 744 A L H X S+ 0 0 6 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.925 112.3 43.3 -64.6 -47.0 21.9 6.6 13.0 76 745 A M H X S+ 0 0 28 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.885 113.0 51.0 -67.8 -42.1 23.4 6.9 9.5 77 746 A V H X S+ 0 0 8 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.910 112.0 48.1 -61.9 -42.5 20.8 4.7 7.8 78 747 A F H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.936 113.6 46.3 -64.7 -46.5 17.9 6.7 9.4 79 748 A A H X S+ 0 0 15 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.903 112.0 51.9 -63.0 -40.7 19.5 10.0 8.4 80 749 A M H X S+ 0 0 4 -4,-2.7 4,-2.9 1,-0.2 14,-0.4 0.920 106.6 53.3 -62.4 -42.9 20.1 8.6 4.9 81 750 A G H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.906 109.9 48.3 -59.0 -41.7 16.5 7.5 4.6 82 751 A W H X S+ 0 0 44 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.912 111.3 49.4 -65.0 -43.3 15.4 11.0 5.5 83 752 A R H X S+ 0 0 60 -4,-2.4 4,-3.3 1,-0.2 5,-0.4 0.936 110.5 50.8 -59.5 -48.7 17.8 12.6 2.9 84 753 A S H X S+ 0 0 0 -4,-2.9 6,-2.7 1,-0.2 4,-1.4 0.889 111.4 48.0 -56.2 -43.0 16.5 10.2 0.2 85 754 A F H X S+ 0 0 51 -4,-2.1 4,-0.8 4,-0.3 -1,-0.2 0.943 117.8 40.8 -63.6 -48.1 12.9 11.1 1.0 86 755 A T H < S+ 0 0 83 -4,-2.5 -2,-0.2 2,-0.1 -1,-0.2 0.817 125.0 34.5 -71.6 -34.5 13.6 14.9 1.0 87 756 A N H < S+ 0 0 81 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.943 137.3 11.4 -88.4 -57.1 16.0 14.9 -2.0 88 757 A V H >< S- 0 0 17 -4,-1.4 3,-2.6 -5,-0.4 4,-0.2 0.042 100.6-109.7-113.1 25.7 14.8 12.3 -4.5 89 758 A N T 3< S- 0 0 100 -4,-0.8 -4,-0.3 1,-0.3 -3,-0.1 0.857 72.1 -64.3 49.3 41.1 11.4 11.5 -2.9 90 759 A S T 3 S+ 0 0 6 -6,-2.7 -1,-0.3 2,-0.2 -5,-0.2 0.552 107.8 125.1 62.9 9.2 12.7 8.1 -1.8 91 760 A R S < S+ 0 0 158 -3,-2.6 2,-0.3 -7,-0.4 -2,-0.1 0.859 81.1 8.8 -64.8 -36.1 13.1 7.1 -5.5 92 761 A M S S- 0 0 64 -8,-0.3 2,-0.8 -4,-0.2 -4,-0.2 -0.900 90.0 -92.2-138.1 168.6 16.7 6.3 -4.9 93 762 A L E -A 101 0A 0 8,-1.6 8,-2.6 -2,-0.3 2,-1.5 -0.748 32.9-158.3 -88.2 111.1 19.1 6.0 -1.9 94 763 A Y E +A 100 0A 44 -2,-0.8 6,-0.2 -14,-0.4 -10,-0.1 -0.540 28.6 157.5 -90.3 71.9 20.7 9.4 -1.4 95 764 A F E S- 0 0 20 -2,-1.5 -1,-0.2 4,-0.8 5,-0.2 0.932 74.5 -20.9 -60.0 -45.2 23.8 8.3 0.5 96 765 A A E > -A 99 0A 0 3,-1.1 3,-2.4 -3,-0.3 -1,-0.3 -0.977 68.4-100.5-160.3 157.9 25.6 11.4 -0.5 97 766 A P T 3 S+ 0 0 55 0, 0.0 3,-0.2 0, 0.0 -80,-0.1 0.812 128.3 38.4 -53.3 -31.1 25.3 14.1 -3.3 98 767 A D T 3 S+ 0 0 35 1,-0.2 -76,-0.1 -4,-0.0 -81,-0.1 0.230 117.8 52.8-104.5 11.9 28.2 12.3 -5.1 99 768 A L E < +A 96 0A 0 -3,-2.4 -3,-1.1 -80,-0.0 -4,-0.8 -0.492 64.5 158.4-147.2 71.3 27.0 8.8 -4.2 100 769 A V E -A 94 0A 30 -3,-0.2 2,-0.5 -6,-0.2 -6,-0.2 -0.863 31.8-139.9-101.0 124.8 23.4 8.2 -5.2 101 770 A F E +A 93 0A 0 -8,-2.6 -8,-1.6 -2,-0.5 2,-0.2 -0.742 21.8 179.7 -91.1 123.5 22.3 4.6 -5.6 102 771 A N > - 0 0 63 -2,-0.5 4,-2.3 -10,-0.2 5,-0.2 -0.449 51.1 -81.3-104.5-176.7 20.0 3.6 -8.4 103 772 A E H > S+ 0 0 97 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.937 129.9 51.0 -52.2 -51.8 18.7 0.2 -9.3 104 773 A Y H > S+ 0 0 125 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.917 111.9 45.8 -53.9 -49.5 21.9 -0.8 -11.1 105 774 A R H > S+ 0 0 22 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.843 106.3 59.7 -64.8 -34.6 24.1 0.3 -8.2 106 775 A M H <>S+ 0 0 1 -4,-2.3 5,-1.1 2,-0.2 -1,-0.2 0.917 111.6 41.1 -59.4 -42.0 21.9 -1.5 -5.7 107 776 A H H ><5S+ 0 0 111 -4,-1.9 3,-1.8 -5,-0.2 5,-0.2 0.934 114.4 50.9 -69.1 -49.4 22.6 -4.7 -7.6 108 777 A K H 3<5S+ 0 0 67 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.810 100.1 64.2 -58.6 -33.0 26.3 -4.0 -8.1 109 778 A S T 3<5S- 0 0 0 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.587 104.6-131.7 -68.6 -9.8 26.7 -3.3 -4.4 110 779 A R T < 5S+ 0 0 154 -3,-1.8 -3,-0.1 -4,-0.2 -2,-0.1 0.761 89.6 87.1 62.3 26.9 25.8 -6.9 -3.8 111 780 A M >< + 0 0 11 -5,-1.1 4,-2.2 2,-0.1 5,-0.2 -0.224 41.1 141.0-147.0 46.7 23.3 -5.9 -1.2 112 781 A Y H > S+ 0 0 86 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120.3 50.2 -53.3 -39.1 11.3 17.7 10.5 133 802 A Q H > S+ 0 0 63 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.881 110.5 48.7 -68.6 -39.3 11.0 18.0 14.3 134 803 A E H > S+ 0 0 5 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.907 110.1 52.3 -65.6 -42.4 9.8 14.4 14.6 135 804 A F H X S+ 0 0 4 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.939 110.1 48.2 -58.1 -50.7 12.7 13.2 12.5 136 805 A L H X S+ 0 0 16 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.934 113.6 45.6 -57.0 -49.2 15.3 15.0 14.7 137 806 A C H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.887 114.1 49.3 -64.7 -40.0 13.9 13.7 18.0 138 807 A M H X S+ 0 0 0 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.889 109.6 51.2 -65.7 -41.1 13.7 10.2 16.6 139 808 A K H X S+ 0 0 10 -4,-2.5 4,-0.6 2,-0.2 -2,-0.2 0.858 108.8 51.9 -65.0 -37.1 17.3 10.2 15.3 140 809 A A H >< S+ 0 0 0 -4,-2.0 3,-1.5 -5,-0.2 4,-0.5 0.943 106.6 53.2 -64.7 -43.1 18.5 11.4 18.7 141 810 A L H >< S+ 0 0 0 -4,-1.9 3,-1.2 1,-0.3 -1,-0.2 0.801 98.2 65.8 -63.0 -27.4 16.7 8.5 20.4 142 811 A L H >< S+ 0 0 2 -4,-1.2 3,-1.1 1,-0.3 -1,-0.3 0.760 90.7 63.5 -65.4 -25.5 18.5 6.1 18.0 143 812 A L T << S+ 0 0 0 -3,-1.5 -1,-0.3 -4,-0.6 3,-0.3 0.759 108.5 42.2 -67.8 -23.2 21.7 7.1 19.7 144 813 A F T < S+ 0 0 0 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 -0.171 91.6 90.9-115.5 39.5 20.3 5.6 22.9 145 814 A S S < S+ 0 0 3 -3,-1.1 100,-3.8 1,-0.2 2,-0.3 0.213 79.1 51.8-120.4 14.2 18.7 2.5 21.4 146 815 A I E +B 244 0B 3 98,-0.3 -1,-0.2 -3,-0.3 -76,-0.2 -0.860 58.1 149.0-156.6 117.0 21.5 -0.1 21.6 147 816 A I E -B 243 0B 20 96,-1.8 96,-1.8 -2,-0.3 5,-0.0 -0.944 48.6 -81.1-143.3 161.4 23.6 -1.1 24.6 148 817 A P E > -B 242 0B 27 0, 0.0 3,-1.9 0, 0.0 94,-0.3 -0.297 37.0-120.6 -64.6 150.1 25.4 -4.2 26.0 149 818 A V T 3 S+ 0 0 94 92,-2.7 93,-0.1 1,-0.3 3,-0.1 0.819 113.8 56.1 -59.3 -33.2 23.4 -6.8 27.8 150 819 A D T 3 S- 0 0 163 91,-0.4 -1,-0.3 1,-0.2 92,-0.1 0.226 114.9-118.3 -84.9 15.0 25.6 -6.3 30.9 151 820 A G < - 0 0 24 -3,-1.9 -1,-0.2 3,-0.1 2,-0.1 0.103 31.9 -70.5 72.8 171.2 24.7 -2.6 30.9 152 821 A L > - 0 0 22 -3,-0.1 3,-0.8 1,-0.1 4,-0.1 -0.357 50.2 -91.8 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17.0 8.0 27.3 163 832 A M H X S+ 0 0 90 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.911 107.5 52.3 -58.3 -45.7 13.7 8.6 29.3 164 833 A N H X S+ 0 0 66 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.839 109.9 48.8 -61.3 -34.4 14.1 12.3 28.9 165 834 A Y H X S+ 0 0 5 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.826 108.8 53.0 -75.4 -31.0 14.5 12.0 25.2 166 835 A I H X S+ 0 0 33 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.868 109.6 49.6 -69.7 -34.8 11.5 9.8 25.0 167 836 A K H X S+ 0 0 101 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.894 106.3 55.1 -69.5 -39.9 9.6 12.5 26.8 168 837 A E H X S+ 0 0 39 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.876 104.6 54.6 -60.2 -38.1 10.8 15.2 24.4 169 838 A L H X S+ 0 0 0 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.880 105.5 53.7 -62.5 -37.6 9.4 13.1 21.6 170 839 A D H X S+ 0 0 60 -4,-1.3 4,-3.1 2,-0.2 3,-0.3 0.939 106.5 50.5 -62.7 -48.6 6.1 13.1 23.3 171 840 A R H X S+ 0 0 113 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.907 107.7 53.4 -56.9 -43.8 6.0 16.9 23.6 172 841 A I H < S+ 0 0 26 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.853 113.9 43.5 -59.7 -34.9 6.8 17.2 19.9 173 842 A I H >X S+ 0 0 4 -4,-1.5 4,-1.3 -3,-0.3 3,-0.6 0.877 115.4 47.0 -77.1 -40.1 3.8 14.9 19.2 174 843 A A H 3< S+ 0 0 64 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.443 95.0 79.7 -81.4 -0.4 1.5 16.7 21.7 175 844 A C T 3< S+ 0 0 98 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.1 0.023 115.3 6.7 -96.2 28.0 2.5 20.1 20.3 176 845 A K T <4 S+ 0 0 181 -3,-0.6 2,-1.9 3,-0.1 3,-0.2 0.275 91.3 112.5-174.6 -24.0 0.2 19.9 17.3 177 846 A R < + 0 0 77 -4,-1.3 6,-0.1 1,-0.2 5,-0.1 -0.485 30.0 162.5 -69.9 85.0 -1.9 16.8 17.6 178 847 A K + 0 0 191 -2,-1.9 -1,-0.2 -3,-0.1 -4,-0.0 0.805 49.2 92.4 -73.8 -30.9 -5.3 18.6 18.1 179 848 A N S >> S- 0 0 85 -3,-0.2 4,-1.0 1,-0.1 3,-1.0 -0.490 70.6-148.3 -68.4 128.0 -7.1 15.4 17.1 180 849 A P T 34 S+ 0 0 118 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.689 95.8 50.7 -69.8 -20.3 -7.9 13.3 20.3 181 850 A T T 34 S+ 0 0 102 1,-0.1 -2,-0.1 2,-0.1 -3,-0.1 -0.179 108.3 50.8-111.6 39.1 -7.7 10.0 18.3 182 851 A S T <> S+ 0 0 2 -3,-1.0 4,-2.5 -5,-0.1 5,-0.1 0.488 88.0 73.7-141.0 -30.5 -4.3 10.6 16.7 183 852 A C H X S+ 0 0 45 -4,-1.0 4,-1.7 2,-0.2 3,-0.3 0.974 106.8 34.9 -55.1 -63.6 -1.9 11.7 19.5 184 853 A S H > S+ 0 0 93 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.891 117.3 55.9 -59.1 -40.3 -1.5 8.2 21.1 185 854 A R H > S+ 0 0 131 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.860 104.4 54.8 -60.7 -36.2 -1.7 6.6 17.7 186 855 A R H X S+ 0 0 12 -4,-2.5 4,-2.8 -3,-0.3 5,-0.2 0.933 104.9 50.5 -64.3 -47.7 1.2 8.8 16.6 187 856 A F H X S+ 0 0 65 -4,-1.7 4,-2.4 1,-0.2 5,-0.2 0.877 110.6 52.2 -58.4 -38.2 3.5 7.7 19.4 188 857 A Y H X S+ 0 0 128 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.937 110.4 47.0 -62.7 -48.7 2.7 4.1 18.4 189 858 A Q H X S+ 0 0 54 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.916 114.0 46.6 -60.1 -46.2 3.6 4.8 14.7 190 859 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.899 111.3 50.3 -65.8 -42.8 6.9 6.5 15.5 191 860 A T H X S+ 0 0 1 -4,-2.4 4,-1.9 -5,-0.2 56,-0.3 0.854 111.4 50.3 -64.6 -33.9 8.0 3.9 18.1 192 861 A K H X S+ 0 0 82 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.906 110.1 49.9 -68.4 -41.8 7.2 1.2 15.4 193 862 A L 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