==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE RECEPTOR 04-JUN-11 2YLP . COMPND 2 MOLECULE: ANDROGEN RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.A.LACK,P.AXERIO,P.TAVASSOLI,K.KUCHENBECKER,F.Q.HAN,K.H.CHA . 249 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12018.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 75.5 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 . 25 10.0 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 0 1 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 0 125 0, 0.0 4,-2.1 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 52.2 11.8 -25.3 -22.7 2 672 A I H > + 0 0 137 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.885 360.0 57.9 -54.4 -51.9 15.4 -24.8 -24.0 3 673 A F H > S+ 0 0 28 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.899 113.7 38.9 -49.4 -46.7 15.6 -21.1 -23.3 4 674 A L H > S+ 0 0 38 -3,-0.3 4,-3.4 2,-0.2 5,-0.3 0.836 107.3 62.1 -72.8 -37.1 14.8 -21.5 -19.6 5 675 A N H X S+ 0 0 85 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.943 110.5 44.0 -51.1 -46.7 16.8 -24.7 -19.1 6 676 A V H X S+ 0 0 41 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.948 114.1 46.0 -67.4 -52.7 19.8 -22.5 -20.1 7 677 A L H X S+ 0 0 2 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.901 116.8 46.7 -54.0 -44.1 19.0 -19.4 -17.9 8 678 A E H < S+ 0 0 127 -4,-3.4 3,-0.4 1,-0.2 -2,-0.2 0.888 113.6 50.2 -68.5 -34.2 18.2 -21.7 -15.1 9 679 A A H < S+ 0 0 81 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.904 112.6 42.5 -69.4 -44.6 21.5 -23.7 -15.7 10 680 A I H < S+ 0 0 40 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.429 79.6 128.4 -88.2 -4.4 24.0 -20.7 -15.9 11 681 A E < - 0 0 67 -4,-0.7 -3,-0.0 -3,-0.4 124,-0.0 -0.395 62.8-116.0 -52.7 123.2 22.6 -18.7 -12.9 12 682 A P - 0 0 47 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.163 25.2-134.9 -57.9 147.7 25.5 -17.8 -10.5 13 683 A G - 0 0 60 1,-0.2 2,-0.1 31,-0.0 31,-0.0 0.014 50.7 -40.7 -84.0-158.0 25.5 -19.2 -7.0 14 684 A V - 0 0 111 81,-0.0 2,-0.4 -2,-0.0 -1,-0.2 -0.420 52.5-161.7 -67.1 138.0 26.2 -17.4 -3.8 15 685 A V - 0 0 22 -2,-0.1 2,-0.3 -3,-0.1 26,-0.1 -0.998 11.5-143.0-121.2 131.0 29.1 -14.8 -3.9 16 686 A C - 0 0 61 -2,-0.4 24,-0.1 79,-0.1 79,-0.0 -0.692 6.4-145.0 -93.3 147.7 30.5 -13.8 -0.5 17 687 A A - 0 0 1 -2,-0.3 -1,-0.1 2,-0.1 23,-0.1 0.841 29.1-130.9 -77.5 -34.6 31.6 -10.2 0.2 18 688 A G + 0 0 50 1,-0.3 2,-0.2 18,-0.0 80,-0.1 0.530 48.5 162.5 89.5 11.0 34.6 -11.1 2.4 19 689 A H - 0 0 13 14,-0.1 2,-1.1 1,-0.1 -1,-0.3 -0.411 41.2-134.5 -67.9 133.4 33.4 -8.6 5.0 20 690 A D > - 0 0 104 1,-0.2 3,-1.9 -2,-0.2 -1,-0.1 -0.776 16.7-166.8 -89.4 98.5 34.8 -9.0 8.5 21 691 A N T 3 S+ 0 0 77 -2,-1.1 -1,-0.2 1,-0.3 4,-0.1 0.492 83.1 70.7 -67.3 -6.0 31.6 -8.6 10.6 22 692 A N T 3 S+ 0 0 148 2,-0.1 -1,-0.3 -3,-0.0 3,-0.1 0.716 79.1 89.9 -77.7 -29.9 33.9 -8.3 13.6 23 693 A Q S < S- 0 0 30 -3,-1.9 2,-0.2 1,-0.1 3,-0.0 -0.339 94.4-106.2 -52.5 143.2 35.0 -4.9 12.3 24 694 A P - 0 0 109 0, 0.0 2,-0.2 0, 0.0 5,-0.1 -0.579 43.4 -92.7 -73.4 150.5 32.6 -2.2 13.7 25 695 A D + 0 0 37 -2,-0.2 2,-0.3 -4,-0.1 3,-0.1 -0.457 63.7 154.3 -62.0 123.9 30.2 -0.8 11.1 26 696 A S > - 0 0 44 -2,-0.2 4,-3.1 1,-0.1 5,-0.3 -0.965 54.0-113.8-145.6 159.3 31.8 2.2 9.6 27 697 A F H > S+ 0 0 9 -2,-0.3 4,-2.5 1,-0.2 5,-0.4 0.946 115.6 49.7 -55.7 -52.2 31.5 4.0 6.2 28 698 A A H > S+ 0 0 29 1,-0.2 4,-1.9 2,-0.2 192,-0.4 0.909 118.0 38.9 -55.9 -44.7 35.0 3.2 5.1 29 699 A A H > S+ 0 0 27 2,-0.2 4,-2.0 3,-0.2 -1,-0.2 0.903 116.4 49.7 -78.8 -40.4 34.7 -0.5 6.0 30 700 A L H X S+ 0 0 0 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.964 117.0 41.0 -61.6 -51.2 31.0 -1.0 4.8 31 701 A L H X S+ 0 0 7 -4,-2.5 4,-2.7 -5,-0.3 -2,-0.2 0.862 111.2 55.3 -66.1 -42.0 31.7 0.7 1.4 32 702 A S H X S+ 0 0 27 -4,-1.9 4,-1.9 -5,-0.4 -1,-0.2 0.905 111.0 47.1 -54.6 -45.1 35.1 -1.0 0.9 33 703 A S H X S+ 0 0 17 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.843 109.9 51.0 -62.9 -39.4 33.3 -4.4 1.3 34 704 A L H X S+ 0 0 25 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.900 110.8 51.5 -66.2 -43.5 30.5 -3.4 -1.1 35 705 A N H X S+ 0 0 8 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.847 110.8 46.2 -55.9 -43.7 33.3 -2.5 -3.6 36 706 A E H X S+ 0 0 67 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.907 111.2 52.9 -68.7 -40.2 35.0 -5.9 -3.2 37 707 A L H X S+ 0 0 7 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.895 108.4 51.1 -56.7 -44.2 31.6 -7.5 -3.5 38 708 A G H X S+ 0 0 7 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.945 108.7 49.8 -61.3 -47.2 31.2 -5.6 -6.7 39 709 A E H X S+ 0 0 26 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.936 114.1 46.4 -53.5 -48.3 34.6 -6.7 -8.1 40 710 A R H X S+ 0 0 95 -4,-2.6 4,-1.3 1,-0.2 3,-0.3 0.917 110.6 51.0 -65.2 -45.0 33.6 -10.4 -7.2 41 711 A Q H X S+ 0 0 19 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.867 103.3 62.0 -61.9 -29.5 30.1 -10.2 -8.7 42 712 A L H X S+ 0 0 5 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.888 98.9 53.5 -65.2 -42.6 31.7 -8.8 -12.0 43 713 A V H X S+ 0 0 59 -4,-1.3 4,-2.0 -3,-0.3 -1,-0.2 0.950 113.6 44.0 -53.0 -48.2 33.7 -11.9 -12.6 44 714 A H H X S+ 0 0 72 -4,-1.3 4,-2.4 1,-0.2 -2,-0.2 0.894 111.1 52.7 -69.6 -41.6 30.5 -14.0 -12.3 45 715 A V H X S+ 0 0 15 -4,-2.7 4,-3.4 2,-0.2 5,-0.2 0.900 109.1 51.1 -54.3 -44.2 28.4 -11.6 -14.5 46 716 A V H X S+ 0 0 55 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.983 112.6 44.4 -62.2 -55.6 31.0 -11.8 -17.2 47 717 A K H X S+ 0 0 145 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.854 116.4 48.1 -57.1 -37.2 31.0 -15.6 -17.2 48 718 A W H >X S+ 0 0 14 -4,-2.4 3,-1.2 2,-0.2 4,-0.5 0.957 109.6 50.8 -71.5 -48.1 27.2 -15.7 -17.1 49 719 A A H >< S+ 0 0 0 -4,-3.4 3,-1.8 1,-0.3 -2,-0.2 0.922 107.8 54.0 -54.2 -48.6 26.6 -13.1 -19.9 50 720 A K H 3< S+ 0 0 93 -4,-2.4 -1,-0.3 1,-0.3 6,-0.2 0.693 107.1 50.7 -65.2 -17.9 29.0 -15.0 -22.2 51 721 A A H << S+ 0 0 49 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.449 86.3 112.8 -93.0 -0.2 27.0 -18.3 -21.7 52 722 A L S X< S- 0 0 6 -3,-1.8 3,-1.4 -4,-0.5 4,-0.4 -0.360 83.7 -89.6 -71.0 150.8 23.6 -16.6 -22.5 53 723 A P T 3 S+ 0 0 44 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.406 109.1 0.5 -58.1 128.9 21.8 -17.7 -25.7 54 724 A G T > S+ 0 0 26 -2,-0.2 3,-1.3 -3,-0.1 4,-0.4 0.355 93.5 122.5 81.2 -8.4 22.9 -15.5 -28.7 55 725 A F G X S+ 0 0 0 -3,-1.4 3,-1.1 1,-0.2 -5,-0.1 0.838 70.9 51.8 -60.6 -36.4 25.4 -13.4 -26.6 56 726 A R G 3 S+ 0 0 166 -4,-0.4 -1,-0.2 1,-0.2 4,-0.1 0.552 89.1 79.4 -85.8 -0.4 28.5 -14.2 -28.7 57 727 A N G < S+ 0 0 118 -3,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.759 81.7 91.2 -60.1 -25.9 26.6 -13.2 -31.9 58 728 A L S < S- 0 0 5 -3,-1.1 5,-0.1 -4,-0.4 96,-0.1 -0.445 97.5 -91.9 -75.5 147.2 27.5 -9.7 -30.7 59 729 A H > - 0 0 77 94,-0.2 4,-1.9 1,-0.1 3,-0.3 -0.237 38.6-118.3 -47.5 141.4 30.6 -7.9 -31.8 60 730 A V H > S+ 0 0 97 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.845 114.5 49.0 -56.8 -42.9 33.3 -8.6 -29.2 61 731 A D H > S+ 0 0 82 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.812 110.1 53.4 -66.6 -32.7 33.7 -4.9 -28.2 62 732 A D H > S+ 0 0 3 -3,-0.3 4,-2.6 2,-0.2 5,-0.2 0.837 102.8 57.9 -70.6 -35.3 29.9 -4.7 -27.9 63 733 A Q H X S+ 0 0 24 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.961 110.3 41.7 -58.5 -53.9 30.0 -7.7 -25.5 64 734 A M H X S+ 0 0 123 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.923 114.5 55.1 -60.4 -43.7 32.4 -5.8 -23.1 65 735 A A H X S+ 0 0 15 -4,-2.3 4,-1.7 2,-0.2 5,-0.2 0.889 107.4 45.1 -53.3 -52.2 30.4 -2.6 -23.6 66 736 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.912 114.8 49.5 -70.0 -37.0 26.9 -4.0 -22.6 67 737 A I H X S+ 0 0 12 -4,-1.8 4,-1.3 -5,-0.2 -1,-0.2 0.937 112.0 48.2 -58.9 -48.5 28.4 -5.8 -19.6 68 738 A Q H < S+ 0 0 18 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.737 116.0 43.5 -72.2 -22.3 30.2 -2.6 -18.4 69 739 A Y H < S+ 0 0 18 -4,-1.7 4,-0.3 -5,-0.2 3,-0.3 0.808 120.3 38.0 -83.4 -33.8 27.1 -0.4 -18.8 70 740 A S H X S+ 0 0 5 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.495 81.4 97.0-107.2 1.4 24.6 -2.7 -17.2 71 741 A W H X S+ 0 0 7 -4,-1.3 4,-2.9 1,-0.2 5,-0.3 0.844 83.0 55.9 -56.2 -41.0 26.3 -4.4 -14.3 72 742 A M H > S+ 0 0 20 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.949 111.4 42.9 -58.5 -51.7 24.9 -2.0 -11.7 73 743 A G H > S+ 0 0 5 -4,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.913 114.5 51.6 -60.4 -40.5 21.3 -2.6 -12.8 74 744 A L H X S+ 0 0 4 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.957 113.9 42.4 -59.3 -55.6 21.9 -6.4 -13.0 75 745 A M H X S+ 0 0 21 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.824 113.1 52.0 -62.3 -41.6 23.4 -6.6 -9.5 76 746 A V H X S+ 0 0 9 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.945 111.6 47.6 -60.6 -44.2 20.8 -4.4 -7.9 77 747 A F H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.907 114.4 45.1 -65.1 -41.2 18.0 -6.4 -9.4 78 748 A A H X S+ 0 0 14 -4,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.866 110.8 53.1 -72.6 -39.5 19.5 -9.8 -8.3 79 749 A M H X S+ 0 0 5 -4,-2.3 4,-3.3 2,-0.2 14,-0.4 0.918 107.8 52.6 -61.5 -44.4 20.3 -8.5 -4.8 80 750 A G H X S+ 0 0 1 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.877 110.1 48.6 -56.0 -42.4 16.6 -7.4 -4.6 81 751 A W H X S+ 0 0 41 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.955 112.5 46.9 -64.1 -50.5 15.7 -11.0 -5.5 82 752 A R H X S+ 0 0 56 -4,-3.0 4,-2.9 1,-0.2 5,-0.4 0.928 112.1 51.2 -51.4 -50.2 18.1 -12.4 -2.9 83 753 A S H X S+ 0 0 0 -4,-3.3 6,-2.4 1,-0.2 4,-1.7 0.904 111.1 49.9 -55.7 -40.7 16.7 -10.0 -0.4 84 754 A F H X S+ 0 0 46 -4,-2.0 4,-0.7 4,-0.3 -1,-0.2 0.917 116.5 37.5 -67.7 -44.4 13.2 -11.1 -1.3 85 755 A T H < S+ 0 0 74 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.830 122.5 40.7 -79.0 -31.7 13.8 -14.9 -1.0 86 756 A N H < S+ 0 0 85 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.692 135.4 7.4 -91.9 -24.3 16.2 -14.9 2.1 87 757 A V H >< S- 0 0 39 -4,-1.7 3,-2.6 -5,-0.4 4,-0.3 0.006 97.8-105.8-150.0 31.7 14.7 -12.3 4.4 88 758 A N T 3< S- 0 0 127 -4,-0.7 -4,-0.3 1,-0.3 -3,-0.1 0.763 73.8 -68.8 36.4 38.8 11.3 -11.2 2.9 89 759 A S T 3 S+ 0 0 3 -6,-2.4 -1,-0.3 -7,-0.1 -5,-0.2 0.568 104.8 124.8 69.1 11.4 12.9 -7.9 1.8 90 760 A R S < S+ 0 0 71 -3,-2.6 2,-0.3 -7,-0.3 -2,-0.1 0.785 80.4 15.2 -75.0 -25.5 13.2 -6.7 5.4 91 761 A M S S- 0 0 68 -4,-0.3 2,-0.7 -8,-0.2 10,-0.2 -0.853 90.8 -96.5-139.3 169.5 17.0 -6.1 5.0 92 762 A L E -A 100 0A 0 8,-2.1 8,-2.9 -2,-0.3 2,-1.4 -0.843 28.8-157.4-101.2 116.1 19.3 -5.8 2.0 93 763 A Y E +A 99 0A 46 -2,-0.7 6,-0.2 -14,-0.4 -10,-0.1 -0.534 28.0 159.0 -91.7 65.7 21.0 -9.2 1.4 94 764 A F E S- 0 0 19 -2,-1.4 -1,-0.2 4,-0.8 5,-0.2 0.940 76.3 -27.1 -49.0 -46.6 24.1 -8.0 -0.5 95 765 A A E > -A 98 0A 1 3,-1.1 3,-2.4 -3,-0.3 -1,-0.2 -0.953 69.8 -93.7-162.5 165.3 25.7 -11.3 0.5 96 766 A P T 3 S+ 0 0 59 0, 0.0 3,-0.2 0, 0.0 -80,-0.1 0.853 130.7 40.9 -57.6 -29.6 25.5 -13.9 3.3 97 767 A D T 3 S+ 0 0 33 1,-0.2 2,-0.1 -4,-0.1 -81,-0.1 0.227 116.6 50.0-100.6 12.7 28.3 -12.0 5.0 98 768 A L E < +A 95 0A 0 -3,-2.4 -3,-1.1 -80,-0.1 -4,-0.8 -0.520 63.7 157.6-150.2 75.2 27.0 -8.5 4.2 99 769 A V E -A 93 0A 30 -3,-0.2 2,-0.6 -6,-0.2 -6,-0.2 -0.902 33.8-139.4-100.9 123.1 23.4 -8.1 5.1 100 770 A F E -A 92 0A 0 -8,-2.9 -8,-2.1 -2,-0.5 2,-0.2 -0.788 22.2-179.6 -88.8 119.1 22.4 -4.4 5.7 101 771 A N > - 0 0 68 -2,-0.6 4,-2.1 -10,-0.2 -10,-0.1 -0.339 53.3 -79.9 -92.7-170.4 20.0 -3.7 8.6 102 772 A E H > S+ 0 0 100 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.859 130.8 53.3 -67.5 -34.0 18.8 -0.2 9.4 103 773 A Y H > S+ 0 0 132 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.939 108.8 48.4 -64.0 -49.9 22.0 0.8 11.1 104 774 A R H > S+ 0 0 23 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.875 107.5 57.7 -59.6 -38.5 24.2 -0.3 8.2 105 775 A M H <>S+ 0 0 1 -4,-2.1 5,-1.2 2,-0.2 4,-0.2 0.931 111.8 39.6 -53.2 -53.8 21.8 1.7 5.8 106 776 A H H ><5S+ 0 0 127 -4,-1.9 3,-1.2 1,-0.2 5,-0.3 0.916 116.8 51.0 -62.8 -43.5 22.5 5.0 7.8 107 777 A K H 3<5S+ 0 0 67 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.839 102.6 58.6 -65.7 -39.0 26.3 4.2 8.3 108 778 A S T 3<5S- 0 0 0 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.529 106.5-130.3 -61.5 -12.5 26.8 3.5 4.5 109 779 A R T < 5S+ 0 0 154 -3,-1.2 -3,-0.2 -4,-0.2 -2,-0.1 0.729 87.0 99.6 64.0 23.3 25.6 7.1 3.9 110 780 A M >< + 0 0 8 -5,-1.2 4,-2.7 1,-0.1 5,-0.3 -0.135 35.1 135.6-124.4 34.5 23.2 5.6 1.3 111 781 A Y H > S+ 0 0 85 -5,-0.3 4,-2.1 1,-0.2 5,-0.1 0.912 71.7 46.0 -56.0 -51.4 20.1 5.4 3.4 112 782 A S H > S+ 0 0 71 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.907 114.3 47.9 -59.0 -49.9 17.7 6.8 0.7 113 783 A Q H > S+ 0 0 26 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.903 111.1 51.3 -52.5 -47.5 19.1 4.6 -2.1 114 784 A C H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.898 108.8 52.0 -59.2 -38.2 18.9 1.5 0.2 115 785 A V H X S+ 0 0 32 -4,-2.1 4,-2.5 -5,-0.3 -2,-0.2 0.957 109.6 48.4 -65.2 -43.8 15.3 2.5 0.9 116 786 A R H X S+ 0 0 93 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.888 111.8 50.1 -63.4 -36.6 14.6 2.6 -2.8 117 787 A M H X S+ 0 0 7 -4,-2.8 4,-3.2 2,-0.2 -1,-0.2 0.899 107.3 53.6 -66.8 -41.2 16.4 -0.8 -3.2 118 788 A R H X S+ 0 0 48 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.931 108.1 51.0 -58.4 -44.4 14.2 -2.2 -0.4 119 789 A H H X S+ 0 0 105 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.925 110.1 49.1 -54.6 -47.2 11.2 -1.0 -2.4 120 790 A L H >X S+ 0 0 4 -4,-2.1 3,-0.9 1,-0.3 4,-0.7 0.950 110.1 52.2 -59.0 -52.1 12.5 -2.7 -5.5 121 791 A S H >X S+ 0 0 0 -4,-3.2 3,-0.8 1,-0.2 4,-0.6 0.838 106.2 52.6 -49.6 -41.8 13.0 -5.9 -3.5 122 792 A Q H 3X S+ 0 0 65 -4,-2.0 4,-3.5 1,-0.2 -1,-0.2 0.698 95.3 70.6 -74.3 -22.7 9.3 -5.8 -2.1 123 793 A E H S+ 0 0 0 -3,-0.8 5,-2.2 -4,-0.7 4,-0.4 0.906 112.8 37.2 -62.2 -39.3 9.1 -9.2 -6.2 125 795 A G H ><5S+ 0 0 25 -4,-0.6 3,-0.9 3,-0.2 -2,-0.2 0.947 115.7 52.0 -70.9 -53.8 6.6 -10.0 -3.4 126 796 A W H 3<5S+ 0 0 190 -4,-3.5 -2,-0.2 1,-0.3 -3,-0.2 0.869 119.7 35.8 -52.4 -41.9 3.9 -7.5 -4.3 127 797 A L T 3<5S- 0 0 26 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.2 0.518 105.9-127.6 -92.8 -5.6 3.8 -8.7 -7.9 128 798 A Q T < 5 - 0 0 159 -3,-0.9 -3,-0.2 -4,-0.4 2,-0.1 0.911 30.5-159.6 62.4 43.1 4.5 -12.4 -7.0 129 799 A I < - 0 0 8 -5,-2.2 -1,-0.2 -6,-0.3 -2,-0.0 -0.379 6.2-140.0 -58.0 120.5 7.3 -12.7 -9.4 130 800 A T > - 0 0 49 -2,-0.1 4,-2.3 1,-0.1 3,-0.2 -0.435 24.4-108.7 -70.2 158.3 8.0 -16.4 -10.3 131 801 A P H > S+ 0 0 73 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.746 120.8 54.7 -58.4 -24.8 11.6 -17.6 -10.6 132 802 A Q H > S+ 0 0 87 2,-0.2 4,-2.0 3,-0.1 5,-0.2 0.891 108.0 48.0 -77.4 -40.6 11.2 -17.9 -14.4 133 803 A E H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.922 111.1 52.2 -62.9 -45.9 10.0 -14.2 -14.7 134 804 A F H X S+ 0 0 5 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.907 109.1 48.1 -54.6 -46.6 12.9 -13.1 -12.6 135 805 A L H X S+ 0 0 20 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.918 114.6 45.7 -68.9 -39.5 15.6 -15.0 -14.7 136 806 A C H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.879 112.3 50.5 -73.0 -34.6 14.2 -13.6 -18.0 137 807 A M H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.899 110.6 49.4 -67.0 -37.6 13.9 -10.1 -16.6 138 808 A K H X S+ 0 0 11 -4,-2.2 4,-1.0 -5,-0.2 -2,-0.2 0.890 108.0 53.5 -73.2 -38.6 17.5 -10.1 -15.4 139 809 A A H >< S+ 0 0 0 -4,-2.0 3,-0.9 1,-0.2 4,-0.4 0.932 108.1 51.8 -58.6 -42.2 18.7 -11.4 -18.8 140 810 A L H >< S+ 0 0 0 -4,-1.9 3,-0.9 1,-0.3 -1,-0.2 0.741 97.4 65.8 -68.8 -27.5 16.9 -8.5 -20.4 141 811 A L H >< S+ 0 0 3 -4,-1.3 3,-1.5 1,-0.2 -1,-0.3 0.845 90.1 65.0 -61.1 -32.5 18.6 -6.0 -18.1 142 812 A L T << S+ 0 0 0 -4,-1.0 3,-0.3 -3,-0.9 -1,-0.2 0.792 108.6 43.2 -57.5 -22.0 21.9 -7.0 -19.8 143 813 A F T < S+ 0 0 0 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 -0.010 90.6 87.7-112.9 28.0 20.3 -5.4 -22.9 144 814 A S S < S+ 0 0 6 -3,-1.5 100,-2.8 1,-0.2 2,-0.3 0.155 79.0 55.4-120.1 15.3 18.8 -2.2 -21.5 145 815 A I E +B 243 0B 3 98,-0.3 -1,-0.2 -3,-0.3 -76,-0.2 -0.896 59.0 149.0-154.5 123.6 21.5 0.4 -21.7 146 816 A I E -B 242 0B 22 96,-2.0 96,-2.7 -2,-0.3 2,-0.2 -0.901 49.8 -80.3-148.9 160.8 23.5 1.5 -24.7 147 817 A P E > -B 241 0B 18 0, 0.0 3,-2.2 0, 0.0 94,-0.3 -0.528 37.3-125.4 -69.1 144.2 25.3 4.5 -26.2 148 818 A V T 3 S+ 0 0 94 92,-1.4 93,-0.1 1,-0.3 3,-0.1 0.817 112.8 53.4 -60.2 -31.7 23.0 7.0 -28.0 149 819 A D T 3 S- 0 0 147 91,-0.5 -1,-0.3 1,-0.2 92,-0.1 0.443 116.6-115.4 -82.8 6.0 25.2 6.7 -31.1 150 820 A G < - 0 0 24 -3,-2.2 -1,-0.2 3,-0.1 2,-0.1 -0.076 27.7 -72.1 93.0 165.3 24.8 2.9 -31.1 151 821 A L > - 0 0 22 -3,-0.1 3,-0.7 1,-0.1 4,-0.1 -0.287 51.3 -94.3 -86.1 178.4 27.0 -0.1 -30.8 152 822 A K T 3 S+ 0 0 142 1,-0.3 2,-0.4 2,-0.1 3,-0.1 0.942 127.0 18.9 -60.3 -51.6 29.7 -1.5 -33.3 153 823 A N T 3> S+ 0 0 48 1,-0.1 4,-1.4 -94,-0.1 -1,-0.3 -0.754 74.7 165.8-118.3 89.4 27.0 -3.8 -34.6 154 824 A Q H <> S+ 0 0 45 -3,-0.7 4,-2.8 -2,-0.4 5,-0.2 0.831 71.3 65.4 -65.2 -35.6 23.7 -2.3 -33.5 155 825 A K H > S+ 0 0 64 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.916 104.1 45.6 -57.7 -45.8 21.6 -4.5 -35.8 156 826 A F H > S+ 0 0 114 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.903 111.6 52.8 -59.6 -44.8 22.7 -7.7 -34.0 157 827 A F H X S+ 0 0 0 -4,-1.4 4,-2.7 1,-0.2 5,-0.2 0.930 107.9 51.4 -59.9 -44.9 22.0 -6.0 -30.6 158 828 A D H X S+ 0 0 87 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.876 111.1 46.9 -58.0 -40.9 18.5 -5.1 -31.8 159 829 A E H X S+ 0 0 114 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.931 113.3 47.9 -67.3 -47.4 17.6 -8.6 -32.9 160 830 A L H X S+ 0 0 12 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.958 113.4 47.5 -58.7 -50.2 19.0 -10.2 -29.7 161 831 A R H X S+ 0 0 24 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.920 109.7 52.9 -60.6 -46.7 17.1 -7.8 -27.5 162 832 A M H X S+ 0 0 98 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.942 109.5 50.6 -52.9 -47.0 13.9 -8.3 -29.5 163 833 A N H X S+ 0 0 73 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.867 108.3 51.1 -59.2 -38.7 14.3 -12.1 -28.9 164 834 A Y H X S+ 0 0 5 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.851 107.9 53.0 -70.2 -34.6 14.8 -11.6 -25.1 165 835 A I H X S+ 0 0 41 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.922 109.6 49.2 -59.0 -43.7 11.6 -9.5 -25.0 166 836 A K H X S+ 0 0 45 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.847 107.4 54.4 -69.2 -36.2 9.7 -12.4 -26.8 167 837 A E H X S+ 0 0 41 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.924 109.5 46.8 -62.3 -44.5 11.1 -15.0 -24.3 168 838 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.894 110.8 52.1 -63.0 -43.5 9.8 -12.9 -21.4 169 839 A D H X S+ 0 0 81 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.940 110.0 50.6 -57.1 -44.7 6.4 -12.6 -23.2 170 840 A R H X S+ 0 0 130 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.863 107.7 52.4 -57.7 -41.2 6.5 -16.4 -23.6 171 841 A I H < S+ 0 0 22 -4,-1.9 3,-0.2 1,-0.2 -1,-0.2 0.888 111.4 45.9 -67.5 -47.4 7.2 -17.0 -19.8 172 842 A I H < S+ 0 0 0 -4,-2.1 4,-0.2 1,-0.2 -1,-0.2 0.948 116.5 48.7 -44.1 -53.0 4.3 -14.8 -18.8 173 843 A A H < S+ 0 0 47 -4,-2.0 2,-1.5 -5,-0.2 3,-0.3 0.502 81.8 86.6 -89.5 -8.2 2.1 -16.7 -21.4 174 844 A C S < S+ 0 0 100 -4,-1.4 -1,-0.1 -3,-0.2 -4,-0.0 -0.702 101.4 34.6 -83.4 83.6 2.8 -20.4 -20.7 175 845 A K S S+ 0 0 174 -2,-1.5 -1,-0.2 1,-0.3 2,-0.2 0.137 100.9 73.9 161.9 -39.0 0.0 -20.4 -18.1 176 846 A R - 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