==== 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 2PIW . 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, . 248 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12163.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 78.6 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 . 6 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 56.9 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 1 0 2 1 0 1 0 0 1 0 0 0 1 0 0 1 0 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 1 671 A P > 0 0 91 0, 0.0 4,-1.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.4 11.0 25.6 22.3 2 672 A I H >> + 0 0 130 1,-0.2 4,-2.0 2,-0.2 3,-1.2 0.948 360.0 51.7 -49.7 -64.1 14.6 25.3 23.3 3 673 A F H 3> S+ 0 0 20 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.878 109.6 50.3 -42.2 -51.7 15.1 21.6 22.7 4 674 A L H 3> S+ 0 0 25 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.819 107.8 54.2 -61.3 -32.0 13.7 21.8 19.2 5 675 A N H - 0 0 93 -2,-0.3 3,-2.5 1,-0.2 -1,-0.1 -0.679 20.3-174.4 -92.2 83.9 34.8 9.1 -8.8 21 691 A N T 3 S+ 0 0 83 -2,-1.4 -1,-0.2 1,-0.3 4,-0.1 0.430 74.8 76.9 -59.3 3.0 31.6 8.7 -10.9 22 692 A N T 3 S+ 0 0 153 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.679 82.7 75.2 -87.1 -19.6 33.9 8.7 -13.9 23 693 A Q S < S- 0 0 129 -3,-2.5 3,-0.0 1,-0.1 -4,-0.0 -0.659 98.8 -91.7 -92.0 148.9 34.9 5.1 -13.3 24 694 A P - 0 0 96 0, 0.0 2,-1.7 0, 0.0 -1,-0.1 -0.182 47.6 -96.8 -56.5 150.6 32.6 2.1 -14.1 25 695 A D + 0 0 31 -4,-0.1 2,-0.3 4,-0.1 3,-0.0 -0.530 59.3 168.9 -74.0 87.2 30.3 1.0 -11.2 26 696 A S > - 0 0 53 -2,-1.7 4,-2.8 1,-0.1 5,-0.2 -0.721 44.5-118.5-100.2 151.8 32.4 -1.9 -9.9 27 697 A F H > S+ 0 0 22 -2,-0.3 4,-2.4 1,-0.2 5,-0.4 0.949 113.5 47.1 -50.1 -58.5 31.7 -3.7 -6.6 28 698 A A H > S+ 0 0 24 1,-0.2 4,-2.3 2,-0.2 192,-0.3 0.915 114.3 46.8 -50.9 -51.1 35.1 -2.8 -5.1 29 699 A A H > S+ 0 0 33 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.900 112.9 49.4 -60.8 -44.3 34.8 0.9 -6.1 30 700 A L H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 3,-0.4 0.965 115.8 39.2 -61.6 -56.3 31.2 1.2 -4.9 31 701 A L H X S+ 0 0 7 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.894 111.0 58.5 -62.6 -41.7 31.6 -0.2 -1.4 32 702 A S H X S+ 0 0 24 -4,-2.3 4,-1.5 -5,-0.4 -1,-0.2 0.834 108.5 48.1 -56.7 -31.9 35.0 1.4 -0.9 33 703 A S H X S+ 0 0 15 -4,-1.3 4,-2.8 -3,-0.4 -1,-0.2 0.873 108.5 52.6 -75.5 -39.3 33.2 4.7 -1.4 34 704 A L H X S+ 0 0 27 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.893 109.3 50.0 -63.4 -39.5 30.5 3.8 1.0 35 705 A N H X S+ 0 0 12 -4,-2.7 4,-3.1 2,-0.2 -1,-0.2 0.909 111.0 48.8 -64.7 -42.1 33.1 3.0 3.7 36 706 A E H X S+ 0 0 68 -4,-1.5 4,-2.9 -5,-0.2 -2,-0.2 0.930 112.2 48.8 -62.7 -44.9 34.8 6.3 3.0 37 707 A L H X S+ 0 0 9 -4,-2.8 4,-3.3 1,-0.2 -2,-0.2 0.913 111.7 50.2 -60.0 -42.7 31.4 8.0 3.3 38 708 A G H X S+ 0 0 9 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.941 109.7 49.7 -60.8 -48.2 30.8 6.1 6.5 39 709 A E H X S+ 0 0 27 -4,-3.1 4,-1.1 2,-0.2 -2,-0.2 0.948 114.9 44.1 -54.4 -52.9 34.1 7.2 7.9 40 710 A R H >X S+ 0 0 90 -4,-2.9 4,-1.1 1,-0.2 3,-0.9 0.923 112.6 51.1 -58.7 -48.1 33.4 10.8 7.0 41 711 A Q H 3X S+ 0 0 22 -4,-3.3 4,-1.7 1,-0.3 -1,-0.2 0.832 101.6 63.7 -59.3 -33.0 29.8 10.7 8.3 42 712 A L H 3X S+ 0 0 6 -4,-2.3 4,-2.0 1,-0.2 -1,-0.3 0.859 98.5 55.0 -60.2 -36.0 31.2 9.2 11.6 43 713 A V H < S+ 0 0 0 -4,-2.7 3,-1.9 1,-0.2 6,-0.2 0.928 109.1 52.4 -65.8 -47.6 26.3 13.8 19.5 50 720 A K H 3< S+ 0 0 57 -4,-2.4 6,-0.4 1,-0.3 -1,-0.2 0.877 108.2 52.4 -56.9 -39.0 28.6 16.0 21.7 51 721 A A T 3< S+ 0 0 51 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.462 89.2 111.5 -77.1 -0.7 26.4 19.0 20.9 52 722 A L S X> S- 0 0 4 -3,-1.9 3,-1.6 -5,-0.1 4,-0.6 -0.521 83.8 -94.5 -77.6 140.9 23.4 17.0 21.9 53 723 A P T 34 S- 0 0 42 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.340 104.9 -4.6 -57.2 116.5 21.5 18.1 25.1 54 724 A G T >4 S+ 0 0 33 -2,-0.2 3,-1.4 -4,-0.1 4,-0.2 0.323 98.2 113.5 83.7 -9.0 22.8 16.1 28.1 55 725 A F G X4 S+ 0 0 0 -3,-1.6 3,-1.8 1,-0.3 -5,-0.1 0.898 70.2 60.7 -62.7 -40.9 25.0 13.9 26.1 56 726 A R G 3< S+ 0 0 172 -4,-0.6 -1,-0.3 -6,-0.4 4,-0.1 0.303 94.4 68.4 -70.6 12.6 28.2 15.3 27.7 57 727 A N G < S+ 0 0 106 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.500 79.2 91.5-107.3 -8.8 26.8 14.1 31.1 58 728 A L S < S- 0 0 6 -3,-1.8 5,-0.1 -4,-0.2 -4,-0.0 -0.476 97.9 -79.2 -82.0 158.2 27.2 10.4 30.4 59 729 A H >> - 0 0 74 1,-0.1 4,-2.1 94,-0.1 3,-1.0 -0.333 43.1-118.0 -57.6 137.4 30.4 8.6 31.4 60 730 A V H 3> S+ 0 0 93 1,-0.3 4,-1.2 2,-0.2 -1,-0.1 0.807 115.6 53.4 -47.4 -34.9 33.1 9.3 28.8 61 731 A D H 3> S+ 0 0 76 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.868 107.5 49.3 -70.7 -36.9 33.2 5.6 28.0 62 732 A D H <> S+ 0 0 6 -3,-1.0 4,-2.9 2,-0.2 5,-0.4 0.867 103.8 60.5 -69.8 -36.7 29.4 5.3 27.4 63 733 A Q H X S+ 0 0 11 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.893 111.8 39.0 -57.0 -41.3 29.5 8.3 25.1 64 734 A M H X S+ 0 0 116 -4,-1.2 4,-1.5 -5,-0.2 -1,-0.2 0.788 115.8 54.4 -79.5 -28.6 31.9 6.5 22.8 65 735 A A H >X S+ 0 0 11 -4,-1.6 4,-1.3 2,-0.2 3,-0.7 0.989 107.6 45.5 -67.9 -61.9 30.0 3.2 23.3 66 736 A V H 3X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.3 -1,-0.2 0.800 115.0 51.2 -52.1 -32.0 26.5 4.4 22.3 67 737 A I H 3X S+ 0 0 9 -4,-0.8 4,-0.8 -5,-0.4 -1,-0.3 0.837 109.7 47.9 -75.8 -35.1 28.1 6.1 19.3 68 738 A Q H << S+ 0 0 35 -4,-1.5 -2,-0.2 -3,-0.7 -1,-0.2 0.586 115.4 46.6 -81.6 -11.2 30.0 2.9 18.2 69 739 A Y H < S+ 0 0 21 -4,-1.3 4,-0.2 76,-0.2 -2,-0.2 0.741 121.6 30.5-100.1 -29.8 26.8 0.8 18.6 70 740 A S H X S+ 0 0 7 -4,-1.5 4,-2.3 -5,-0.2 5,-0.2 0.336 82.5 103.3-113.9 7.1 24.2 3.0 16.8 71 741 A W H X S+ 0 0 11 -4,-0.8 4,-2.3 1,-0.2 5,-0.2 0.862 84.7 53.1 -57.3 -35.0 26.2 4.8 14.2 72 742 A M H > S+ 0 0 19 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.966 109.2 45.8 -64.8 -53.8 24.8 2.4 11.6 73 743 A G H > S+ 0 0 4 -4,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.880 114.0 50.2 -57.3 -41.1 21.1 3.0 12.5 74 744 A L H X S+ 0 0 6 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.973 112.5 43.8 -62.2 -58.1 21.6 6.8 12.6 75 745 A M H X S+ 0 0 25 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.884 114.4 51.2 -55.6 -42.7 23.3 7.1 9.2 76 746 A V H X S+ 0 0 8 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.904 111.3 48.3 -62.2 -41.7 20.8 4.7 7.7 77 747 A F H X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.955 113.5 45.3 -63.8 -51.7 17.9 6.8 9.1 78 748 A A H X S+ 0 0 14 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.854 110.3 57.1 -60.5 -35.9 19.3 10.1 7.9 79 749 A M H X S+ 0 0 3 -4,-2.4 4,-2.8 -5,-0.3 14,-0.4 0.939 105.1 49.3 -61.9 -48.1 20.0 8.5 4.6 80 750 A G H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.899 109.8 53.0 -58.2 -41.3 16.4 7.5 4.1 81 751 A W H X S+ 0 0 39 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.952 110.1 46.1 -59.4 -51.7 15.3 11.0 5.0 82 752 A R H X S+ 0 0 51 -4,-2.4 4,-2.2 1,-0.2 5,-0.4 0.947 111.4 52.3 -55.9 -50.5 17.6 12.6 2.4 83 753 A S H X S+ 0 0 0 -4,-2.8 6,-3.2 1,-0.2 4,-1.4 0.831 112.6 47.7 -54.8 -34.2 16.4 10.1 -0.2 84 754 A F H X S+ 0 0 50 -4,-1.8 4,-0.6 4,-0.3 -1,-0.2 0.896 119.8 35.0 -75.0 -42.8 12.9 11.1 0.7 85 755 A T H < S+ 0 0 72 -4,-2.7 -2,-0.2 2,-0.1 -1,-0.2 0.509 124.5 43.2 -91.3 -5.8 13.4 14.9 0.5 86 756 A N H < S+ 0 0 79 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.2 0.788 134.6 4.2-107.0 -39.4 15.9 14.8 -2.3 87 757 A V H >< S- 0 0 17 -4,-1.4 3,-2.3 -5,-0.4 4,-0.2 0.025 98.7-102.5-138.9 29.7 14.6 12.3 -4.9 88 758 A N T 3< S- 0 0 116 -4,-0.6 -4,-0.3 1,-0.3 -3,-0.1 0.855 73.8 -68.0 50.3 40.9 11.2 11.3 -3.5 89 759 A S T 3 S+ 0 0 7 -6,-3.2 -1,-0.3 -7,-0.2 -5,-0.2 0.559 104.2 128.2 59.1 9.1 12.7 8.0 -2.3 90 760 A R S < S+ 0 0 151 -3,-2.3 2,-0.3 -7,-0.4 -2,-0.1 0.894 78.8 7.9 -60.0 -40.7 13.1 6.9 -5.9 91 761 A M S S- 0 0 50 -8,-0.3 2,-0.8 -4,-0.2 -4,-0.2 -0.874 90.1 -90.3-136.1 168.1 16.8 6.1 -5.2 92 762 A L E -A 100 0A 0 8,-1.5 8,-2.6 -2,-0.3 2,-1.4 -0.735 33.8-159.4 -84.8 110.9 19.1 5.8 -2.2 93 763 A Y E +A 99 0A 43 -2,-0.8 6,-0.2 -14,-0.4 -10,-0.1 -0.577 29.4 155.1 -91.6 72.9 20.7 9.3 -1.8 94 764 A F E S- 0 0 21 -2,-1.4 -1,-0.2 4,-0.7 5,-0.2 0.943 74.1 -15.6 -62.1 -48.3 23.7 8.3 0.3 95 765 A A E > -A 98 0A 0 3,-0.9 3,-2.2 -3,-0.3 -1,-0.3 -0.985 68.0-105.1-155.3 153.6 25.6 11.4 -0.9 96 766 A P T 3 S+ 0 0 56 0, 0.0 3,-0.2 0, 0.0 -80,-0.1 0.748 127.5 38.1 -52.4 -23.9 25.3 14.0 -3.7 97 767 A D T 3 S+ 0 0 30 1,-0.2 -76,-0.1 -4,-0.0 2,-0.1 0.360 117.2 52.6-108.4 1.5 28.2 12.2 -5.4 98 768 A L E < +A 95 0A 0 -3,-2.2 -3,-0.9 -80,-0.0 -4,-0.7 -0.535 66.0 159.2-139.1 70.8 27.1 8.7 -4.5 99 769 A V E -A 93 0A 33 -3,-0.2 2,-0.5 -6,-0.2 -6,-0.2 -0.799 30.6-139.5 -96.6 134.9 23.5 8.1 -5.5 100 770 A F E -A 92 0A 0 -8,-2.6 -8,-1.5 -2,-0.4 2,-0.2 -0.835 20.3-178.3-101.2 123.6 22.3 4.5 -5.9 101 771 A N > - 0 0 63 -2,-0.5 4,-2.6 -10,-0.2 5,-0.3 -0.542 51.3 -82.8-106.3 175.8 20.0 3.5 -8.8 102 772 A E H > S+ 0 0 96 1,-0.2 4,-1.0 2,-0.2 5,-0.1 0.873 131.1 49.7 -46.2 -43.5 18.5 0.0 -9.5 103 773 A Y H >> S+ 0 0 114 1,-0.2 4,-2.3 2,-0.2 3,-1.2 0.971 111.3 45.6 -61.9 -57.1 21.8 -0.9 -11.3 104 774 A R H 3> S+ 0 0 17 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.818 105.6 61.9 -57.5 -33.0 24.1 0.2 -8.5 105 775 A M H 3<>S+ 0 0 1 -4,-2.6 5,-1.0 1,-0.2 -1,-0.3 0.829 110.3 41.4 -62.6 -30.3 21.9 -1.5 -5.9 106 776 A H H X<5S+ 0 0 125 -3,-1.2 3,-1.7 -4,-1.0 5,-0.2 0.887 112.0 53.3 -81.7 -44.1 22.7 -4.8 -7.7 107 777 A K H 3<5S+ 0 0 76 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.795 97.9 65.6 -62.2 -30.3 26.4 -4.0 -8.3 108 778 A S T 3<5S- 0 0 0 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.1 0.582 106.4-128.4 -69.8 -8.0 26.9 -3.3 -4.6 109 779 A R T < 5S+ 0 0 154 -3,-1.7 -3,-0.1 -5,-0.1 -2,-0.1 0.826 90.8 86.6 62.7 32.9 26.1 -7.0 -4.0 110 780 A M >< + 0 0 10 -5,-1.0 4,-1.3 2,-0.0 -4,-0.1 -0.238 41.0 143.2-155.9 52.3 23.5 -6.0 -1.4 111 781 A Y H > S+ 0 0 88 -5,-0.2 4,-2.2 2,-0.2 3,-0.5 0.947 72.2 51.6 -61.9 -54.1 20.3 -5.4 -3.4 112 782 A S H > S+ 0 0 71 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.913 108.3 51.9 -51.8 -49.0 17.8 -6.8 -0.8 113 783 A Q H > S+ 0 0 25 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.857 109.0 51.9 -57.3 -35.6 19.3 -4.6 2.0 114 784 A C H X S+ 0 0 0 -4,-1.3 4,-2.5 -3,-0.5 -1,-0.2 0.887 104.2 57.1 -67.6 -39.7 18.9 -1.6 -0.3 115 785 A V H X S+ 0 0 29 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.941 109.0 44.9 -56.0 -49.5 15.2 -2.5 -0.9 116 786 A R H X S+ 0 0 91 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.889 110.9 54.4 -63.0 -39.2 14.5 -2.4 2.9 117 787 A M H X S+ 0 0 3 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.875 110.5 46.6 -62.1 -37.0 16.5 0.9 3.1 118 788 A R H X S+ 0 0 49 -4,-2.5 4,-3.2 2,-0.2 5,-0.2 0.881 107.7 55.8 -72.1 -38.4 14.2 2.3 0.4 119 789 A H H X S+ 0 0 85 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.909 108.5 48.8 -58.4 -41.0 11.2 1.0 2.2 120 790 A L H X S+ 0 0 4 -4,-2.3 4,-0.9 2,-0.2 -1,-0.2 0.888 111.0 51.1 -63.9 -39.9 12.4 2.9 5.2 121 791 A S H >< S+ 0 0 0 -4,-1.7 3,-0.9 1,-0.2 4,-0.2 0.943 109.3 48.3 -63.0 -49.6 12.8 5.9 3.0 122 792 A Q H >X S+ 0 0 64 -4,-3.2 3,-2.7 1,-0.3 4,-1.1 0.828 98.6 70.9 -60.7 -33.1 9.3 5.7 1.5 123 793 A E H 3X S+ 0 0 54 -4,-1.8 4,-2.1 1,-0.3 -1,-0.3 0.886 86.6 64.7 -50.7 -42.5 8.0 5.3 5.1 124 794 A F H <<>S+ 0 0 0 -3,-0.9 5,-1.3 -4,-0.9 -1,-0.3 0.666 104.5 51.2 -56.8 -15.3 8.8 9.0 5.6 125 795 A G H X45S+ 0 0 25 -3,-2.7 3,-2.3 -4,-0.2 -2,-0.2 0.956 109.8 37.8 -87.1 -66.9 6.2 9.7 3.0 126 796 A W H 3<5S+ 0 0 168 -4,-1.1 -2,-0.2 1,-0.3 -3,-0.1 0.840 118.7 52.8 -55.3 -35.2 3.0 7.8 3.9 127 797 A L T 3<5S- 0 0 26 -4,-2.1 -1,-0.3 -5,-0.3 3,-0.2 0.502 101.4-139.4 -78.9 -4.4 3.6 8.7 7.5 128 798 A Q T < 5 - 0 0 153 -3,-2.3 2,-0.3 -5,-0.2 -3,-0.2 0.905 25.2-162.5 44.0 52.1 4.0 12.4 6.6 129 799 A I < - 0 0 8 -5,-1.3 -1,-0.2 -6,-0.2 -2,-0.0 -0.499 6.8-139.3 -68.8 124.0 6.9 12.7 9.0 130 800 A T > - 0 0 57 -2,-0.3 4,-2.4 -3,-0.2 3,-0.4 -0.497 22.9-109.0 -83.1 154.0 7.6 16.3 9.8 131 801 A P H > S+ 0 0 69 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.796 120.4 55.1 -50.4 -31.3 11.2 17.7 10.1 132 802 A Q H > S+ 0 0 62 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.927 107.6 46.3 -69.9 -46.6 10.6 18.0 13.8 133 803 A E H > S+ 0 0 11 -3,-0.4 4,-2.8 2,-0.2 5,-0.2 0.886 111.6 53.6 -63.0 -40.5 9.6 14.4 14.3 134 804 A F H X S+ 0 0 4 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.969 108.6 47.5 -57.9 -57.8 12.6 13.3 12.2 135 805 A L H X S+ 0 0 16 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.892 116.0 44.7 -51.7 -47.0 15.2 15.2 14.2 136 806 A C H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.921 114.1 48.5 -67.3 -44.9 13.8 13.9 17.5 137 807 A M H X S+ 0 0 0 -4,-2.8 4,-0.9 1,-0.2 -2,-0.2 0.911 109.9 52.3 -61.6 -44.1 13.5 10.3 16.3 138 808 A K H >X S+ 0 0 12 -4,-3.1 3,-0.7 1,-0.2 4,-0.6 0.916 110.5 47.6 -59.0 -45.0 17.0 10.3 14.9 139 809 A A H >X S+ 0 0 0 -4,-1.9 3,-1.4 1,-0.3 4,-0.6 0.901 107.6 56.2 -63.1 -40.5 18.4 11.5 18.2 140 810 A L H 3< S+ 0 0 0 -4,-2.2 3,-0.4 1,-0.3 -1,-0.3 0.707 97.6 64.8 -64.7 -19.6 16.4 8.9 20.1 141 811 A L H X< S+ 0 0 2 -4,-0.9 3,-1.5 -3,-0.7 -1,-0.3 0.753 88.9 66.2 -74.1 -25.2 18.1 6.4 17.9 142 812 A L H << S+ 0 0 0 -3,-1.4 3,-0.3 -4,-0.6 -1,-0.2 0.812 105.8 43.5 -65.1 -29.4 21.4 7.3 19.5 143 813 A F T 3< S+ 0 0 0 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.1 -0.163 91.3 93.9-106.8 36.5 20.0 5.8 22.7 144 814 A S S < S+ 0 0 6 -3,-1.5 100,-3.0 1,-0.2 2,-0.3 0.250 79.8 46.2-112.9 11.5 18.5 2.7 21.0 145 815 A I E +B 243 0B 4 -3,-0.3 -1,-0.2 98,-0.3 -76,-0.2 -0.874 59.0 147.3-158.8 121.5 21.3 0.2 21.5 146 816 A I E -B 242 0B 17 96,-1.8 96,-2.0 -2,-0.3 2,-0.1 -0.924 50.8 -73.5-145.9 167.8 23.4 -0.8 24.5 147 817 A P E > -B 241 0B 16 0, 0.0 3,-2.0 0, 0.0 94,-0.3 -0.377 38.8-122.8 -67.2 144.2 25.1 -3.9 26.0 148 818 A V T 3 S+ 0 0 89 92,-2.6 93,-0.1 1,-0.3 3,-0.1 0.779 114.0 56.2 -56.7 -27.6 22.9 -6.5 27.6 149 819 A D T 3 S- 0 0 140 91,-0.4 -1,-0.3 1,-0.2 92,-0.1 0.060 116.9-113.4 -94.1 25.3 24.9 -6.0 30.8 150 820 A G < - 0 0 17 -3,-2.0 -1,-0.2 3,-0.1 -2,-0.1 0.257 34.0 -76.8 64.7 166.0 24.2 -2.2 30.9 151 821 A L > - 0 0 24 -3,-0.1 3,-0.7 1,-0.0 4,-0.1 -0.153 53.9 -84.2 -87.3-174.8 26.6 0.7 30.4 152 822 A K T 3 S+ 0 0 136 1,-0.3 2,-0.3 -93,-0.1 -1,-0.0 0.913 127.7 14.8 -57.8 -43.2 29.0 2.2 32.9 153 823 A N T 3> + 0 0 57 1,-0.1 4,-1.6 -94,-0.1 3,-0.5 -0.680 69.2 168.3-136.5 80.7 26.2 4.2 34.3 154 824 A Q H <> S+ 0 0 41 -3,-0.7 4,-3.2 -2,-0.3 5,-0.3 0.875 72.4 69.8 -58.3 -42.1 22.8 2.9 33.2 155 825 A K H > S+ 0 0 171 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.884 105.4 39.3 -44.0 -50.6 20.9 5.1 35.7 156 826 A F H > S+ 0 0 57 -3,-0.5 4,-3.1 2,-0.2 3,-0.2 0.938 114.2 52.7 -68.6 -48.6 21.8 8.3 33.8 157 827 A F H X S+ 0 0 0 -4,-1.6 4,-2.9 1,-0.2 5,-0.2 0.888 107.9 52.6 -54.3 -42.5 21.4 6.8 30.3 158 828 A D H X S+ 0 0 80 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.876 113.6 42.9 -62.6 -38.6 17.9 5.6 31.2 159 829 A E H X S+ 0 0 86 -4,-1.3 4,-2.4 -5,-0.3 -2,-0.2 0.886 113.3 51.3 -75.0 -39.4 16.9 9.1 32.4 160 830 A L H X S+ 0 0 8 -4,-3.1 4,-1.1 2,-0.2 -2,-0.2 0.939 113.9 45.1 -61.3 -47.1 18.6 10.8 29.5 161 831 A R H >X S+ 0 0 25 -4,-2.9 4,-2.1 -5,-0.2 3,-1.0 0.952 111.6 52.0 -60.3 -51.2 16.7 8.5 27.1 162 832 A M H 3X S+ 0 0 89 -4,-2.2 4,-1.7 1,-0.3 -1,-0.2 0.868 107.9 52.6 -53.7 -40.0 13.4 8.9 29.0 163 833 A N H 3X S+ 0 0 67 -4,-2.4 4,-0.7 1,-0.2 -1,-0.3 0.761 109.2 49.7 -69.6 -24.7 13.9 12.7 28.7 164 834 A Y H < S+ 0 0 22 -4,-2.9 3,-1.4 1,-0.2 -1,-0.2 0.945 112.9 45.0 -58.9 -50.9 6.6 17.4 19.7 172 842 A I H >X S+ 0 0 9 -4,-3.1 4,-0.9 1,-0.3 3,-0.7 0.894 116.9 46.2 -61.1 -41.1 3.8 14.9 18.8 173 843 A A T 3< S+ 0 0 64 -4,-3.5 -1,-0.3 1,-0.2 -2,-0.2 -0.051 92.3 83.7 -93.9 32.3 1.4 16.8 21.1 174 844 A C T <4 S+ 0 0 100 -3,-1.4 -1,-0.2 -5,-0.1 -2,-0.1 0.391 106.8 18.5-111.4 -0.7 2.4 20.2 19.8 175 845 A K T <4 S+ 0 0 190 -3,-0.7 -2,-0.2 -4,-0.2 -3,-0.1 0.499 101.1 98.6-136.9 -31.0 0.1 20.2 16.8 176 846 A R < - 0 0 88 -4,-0.9 -3,-0.0 1,-0.1 -4,-0.0 0.042 43.2-173.5 -56.0 172.2 -2.5 17.5 17.5 177 847 A K + 0 0 188 1,-0.2 -1,-0.1 -3,-0.0 -4,-0.0 0.433 61.9 63.3-142.4 -24.0 -6.0 18.4 18.8 178 848 A N S > S- 0 0 101 1,-0.1 4,-0.9 0, 0.0 -1,-0.2 -0.756 72.0-132.4-110.8 156.9 -7.6 15.1 19.5 179 849 A P H > S+ 0 0 110 0, 0.0 4,-0.7 0, 0.0 -1,-0.1 0.557 102.0 57.3 -81.7 -8.9 -6.6 12.3 22.0 180 850 A T H > S+ 0 0 99 2,-0.2 4,-1.7 3,-0.1 5,-0.2 0.955 108.2 38.0 -84.8 -63.5 -7.0 9.6 19.3 181 851 A S H > S+ 0 0 11 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.821 115.5 57.4 -58.0 -33.2 -4.6 10.6 16.6 182 852 A C H X S+ 0 0 27 -4,-0.9 4,-1.6 2,-0.2 -1,-0.2 0.942 109.8 41.2 -64.9 -49.4 -2.1 11.8 19.2 183 853 A S H X S+ 0 0 90 -4,-0.7 4,-0.8 1,-0.2 -1,-0.2 0.752 117.6 50.7 -70.4 -23.5 -1.8 8.4 20.9 184 854 A R H X S+ 0 0 139 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.839 103.7 57.3 -81.4 -36.3 -1.8 6.7 17.5 185 855 A R H X S+ 0 0 22 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.918 103.5 53.5 -60.1 -45.1 0.9 8.9 16.1 186 856 A F H X S+ 0 0 58 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.876 108.4 51.6 -57.4 -38.8 3.2 7.9 18.9 187 857 A Y H X S+ 0 0 123 -4,-0.8 4,-1.6 2,-0.2 -1,-0.2 0.923 109.0 49.1 -64.2 -46.6 2.5 4.3 18.0 188 858 A Q H X S+ 0 0 58 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.930 115.1 43.9 -59.0 -49.2 3.4 4.8 14.3 189 859 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.954 110.6 52.2 -63.5 -52.9 6.7 6.6 15.1 190 860 A T H X S+ 0 0 1 -4,-2.6 4,-1.6 1,-0.3 56,-0.4 0.827 111.9 50.1 -53.7 -31.5 7.8 4.1 17.8 191 861 A K H X S+ 0 0 88 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.3 0.914 107.9 51.6 -72.1 -45.1 7.1 1.4 15.2 192 862 A L H X S+ 0 0 6 -4,-2.2 4,-0.6 1,-0.2 -2,-0.2 0.909 109.4 50.9 -57.8 -44.2 9.1 3.3 12.5 193 863 A L H >X S+ 0 0 3 -4,-2.8 3,-1.0 1,-0.2 4,-0.7 0.898 109.7 49.7 -61.5 -42.4 12.1 3.6 14.9 194 864 A D H >< S+ 0 0 16 -4,-1.6 3,-0.6 1,-0.2 -1,-0.2 0.830 100.8 63.3 -66.8 -32.4 12.0 -0.2 15.7 195 865 A S H 3X S+ 0 0 46 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.689 94.5 64.7 -65.8 -16.8 11.9 -1.0 12.0 196 866 A V H S+ 0 0 40 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.882 112.2 46.7 -52.9 -40.9 16.3 -5.0 11.7 199 869 A I H >X S+ 0 0 7 -4,-0.8 4,-2.0 -3,-0.3 3,-0.5 0.955 110.9 49.1 -67.0 -51.8 17.9 -3.1 8.8 200 870 A A H 3X S+ 0 0 3 -4,-2.5 4,-2.3 1,-0.3 -1,-0.2 0.813 107.5 58.5 -57.7 -30.8 21.0 -2.0 10.7 201 871 A R H 3X S+ 0 0 107 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.3 0.894 106.0 46.9 -67.0 -40.1 21.4 -5.6 11.8 202 872 A E H < S+ 0 0 25 -4,-2.6 3,-1.7 1,-0.2 4,-0.4 0.933 107.2 52.5 -60.2 -48.4 35.7 -6.5 6.2 212 882 A I H 3< S+ 0 0 112 -4,-2.0 3,-0.3 1,-0.3 -1,-0.2 0.859 118.9 36.2 -56.7 -38.3 36.9 -10.1 6.7 213 883 A K T >X S+ 0 0 99 -4,-1.7 4,-1.2 1,-0.2 3,-1.0 0.208 84.1 117.0 -99.8 13.6 37.1 -10.6 3.0 214 884 A S H X>>S+ 0 0 13 -3,-1.7 5,-2.1 1,-0.3 3,-0.8 0.892 77.6 46.1 -46.4 -51.2 38.2 -7.0 2.3 215 885 A H H 345S+ 0 0 173 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.735 110.1 54.9 -67.4 -23.6 41.6 -8.2 0.9 216 886 A M H <45S+ 0 0 159 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.629 117.5 33.7 -85.6 -14.5 39.9 -10.8 -1.3 217 887 A V H <<5S- 0 0 31 -4,-1.2 -2,-0.2 -3,-0.8 -1,-0.2 0.326 108.0-116.7-119.9 3.5 37.5 -8.4 -3.0 218 888 A S T <5 + 0 0 85 -4,-0.8 2,-0.5 -5,-0.2 -3,-0.2 0.812 61.5 151.2 64.8 32.8 39.8 -5.3 -3.0 219 889 A V < - 0 0 5 -5,-2.1 2,-0.4 -6,-0.2 -1,-0.2 -0.846 35.8-143.2 -99.7 128.4 37.5 -3.3 -0.8 220 890 A D - 0 0 113 -2,-0.5 -185,-0.2 -192,-0.3 -184,-0.1 -0.731 9.7-162.1 -95.4 137.8 39.2 -0.7 1.4 221 891 A F - 0 0 30 -2,-0.4 5,-0.1 -10,-0.1 -189,-0.1 -0.970 21.8-123.2-120.0 121.4 38.1 0.1 5.0 222 892 A P > - 0 0 20 0, 0.0 4,-2.3 0, 0.0 5,-0.2 -0.025 33.2-101.1 -53.5 165.4 39.2 3.4 6.6 223 893 A E H > S+ 0 0 145 1,-0.2 4,-1.8 2,-0.2 3,-0.4 0.979 120.7 36.8 -53.8 -69.1 41.1 3.2 9.9 224 894 A M H > S+ 0 0 77 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.822 114.9 58.3 -55.0 -34.7 38.2 4.0 12.3 225 895 A M H > S+ 0 0 3 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.921 109.6 41.8 -62.9 -45.7 35.8 2.1 10.1 226 896 A A H X S+ 0 0 28 -4,-2.3 4,-0.9 -3,-0.4 -1,-0.2 0.775 112.3 55.8 -73.4 -27.1 37.8 -1.2 10.4 227 897 A E H < S+ 0 0 113 -4,-1.8 4,-0.4 -5,-0.2 5,-0.3 0.856 112.8 40.2 -74.0 -36.2 38.4 -0.6 14.1 228 898 A I H >X>S+ 0 0 10 -4,-1.9 4,-2.2 2,-0.2 5,-1.7 0.924 114.8 50.0 -77.9 -47.5 34.7 -0.3 15.0 229 899 A I H 3<5S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.713 114.1 46.8 -65.1 -21.2 33.4 -3.1 12.7 230 900 A S T 3<5S+ 0 0 67 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.573 129.0 20.7 -97.7 -10.8 36.0 -5.5 14.1 231 901 A V T <>5S+ 0 0 64 -3,-0.8 4,-0.6 -4,-0.4 -3,-0.2 0.713 131.4 30.9-121.0 -51.5 35.5 -4.7 17.7 232 902 A Q H >X5S+ 0 0 26 -4,-2.2 3,-1.0 -5,-0.3 4,-0.9 0.951 115.8 53.1 -78.0 -54.1 32.0 -3.1 18.3 233 903 A V H >> S+ 0 0 35 0, 0.0 4,-1.3 0, 0.0 6,-0.3 0.847 99.6 59.4 -51.0 -36.3 30.9 -8.3 16.6 235 905 A K H <<>S+ 0 0 63 -3,-1.0 6,-2.1 -4,-0.6 5,-1.7 0.815 108.4 45.3 -63.1 -30.4 29.5 -7.6 20.0 236 906 A I H X<5S+ 0 0 9 -3,-1.7 3,-0.6 -4,-0.9 -1,-0.2 0.896 112.6 48.3 -79.4 -43.0 26.1 -6.9 18.4 237 907 A L H 3<5S+ 0 0 31 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.643 112.7 50.9 -72.4 -14.3 26.2 -10.0 16.1 238 908 A S T 3<5S- 0 0 80 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.557 117.5-110.7 -97.8 -12.2 27.2 -12.1 19.0 239 909 A G T < 5S+ 0 0 29 -3,-0.6 -3,-0.2 -4,-0.4 -91,-0.2 0.470 88.8 113.6 97.1 1.8 24.4 -10.9 21.2 240 910 A K S