==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 19-JUN-07 2Z4J . COMPND 2 MOLECULE: ANDROGEN RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.JOURAVEL,R.J.FLETTERICK . 258 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12365.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 77.5 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 3.5 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 . 8 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 55.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 2 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 1 0 0 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 0 103 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 61.9 -11.1 8.2 21.7 2 672 A I H > + 0 0 138 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.926 360.0 53.4 -53.6 -52.4 -14.6 8.3 23.0 3 673 A F H > S+ 0 0 27 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.908 112.6 45.2 -50.3 -48.1 -15.2 12.0 22.4 4 674 A L H > S+ 0 0 26 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.867 106.5 58.7 -65.6 -38.0 -14.2 11.7 18.8 5 675 A N H X S+ 0 0 91 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.888 109.6 47.0 -55.0 -42.3 -16.3 8.5 18.2 6 676 A V H X S+ 0 0 44 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.931 110.2 48.5 -67.6 -51.7 -19.2 10.6 19.2 7 677 A L H < S+ 0 0 3 -4,-2.0 4,-0.4 1,-0.2 -2,-0.2 0.925 115.5 46.0 -56.7 -45.8 -18.6 13.7 17.1 8 678 A E H >< S+ 0 0 135 -4,-2.5 3,-0.6 1,-0.2 -1,-0.2 0.861 112.8 50.5 -64.6 -38.0 -18.0 11.5 14.0 9 679 A A H 3< S+ 0 0 81 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.839 113.3 44.1 -70.9 -35.0 -21.1 9.4 14.8 10 680 A I T 3< S+ 0 0 41 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.300 77.6 131.5 -94.9 7.5 -23.5 12.4 15.2 11 681 A E < - 0 0 66 -3,-0.6 -3,-0.0 -4,-0.4 -4,-0.0 -0.445 63.2-111.4 -65.8 125.2 -22.3 14.4 12.2 12 682 A P - 0 0 45 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.094 33.0-123.0 -54.1 153.1 -25.4 15.6 10.1 13 683 A G - 0 0 56 1,-0.2 2,-0.3 0, 0.0 31,-0.0 -0.033 45.2 -54.4 -86.5-167.2 -25.9 14.1 6.7 14 684 A V - 0 0 123 81,-0.0 2,-0.5 1,-0.0 -1,-0.2 -0.566 55.0-161.6 -73.2 128.0 -26.2 15.7 3.2 15 685 A V - 0 0 20 -2,-0.3 2,-0.3 -3,-0.1 26,-0.1 -0.953 5.3-145.9-116.9 129.4 -28.9 18.3 3.1 16 686 A C - 0 0 61 -2,-0.5 24,-0.1 79,-0.2 25,-0.0 -0.659 8.5-146.7 -93.5 148.0 -30.5 19.6 -0.1 17 687 A A - 0 0 1 -2,-0.3 20,-0.1 2,-0.1 -1,-0.1 0.639 34.4-126.9 -85.7 -15.9 -31.7 23.1 -0.5 18 688 A G + 0 0 48 1,-0.2 2,-0.3 18,-0.1 80,-0.1 0.819 48.7 169.1 72.8 30.9 -34.6 22.1 -2.8 19 689 A H - 0 0 16 78,-0.2 2,-1.3 1,-0.1 -1,-0.2 -0.610 37.4-134.8 -83.6 137.0 -33.4 24.6 -5.4 20 690 A D > - 0 0 84 -2,-0.3 3,-2.4 1,-0.2 -1,-0.1 -0.686 21.3-174.8 -90.4 83.8 -34.9 24.5 -8.9 21 691 A N T 3 S+ 0 0 77 -2,-1.3 -1,-0.2 1,-0.3 4,-0.1 0.779 75.3 71.1 -48.7 -34.3 -31.7 24.8 -11.0 22 692 A N T 3 S+ 0 0 160 -3,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.593 82.8 88.6 -63.5 -10.6 -33.8 25.0 -14.2 23 693 A Q S < S- 0 0 99 -3,-2.4 3,-0.1 1,-0.1 -4,-0.0 -0.657 93.4-101.3 -89.0 144.3 -34.9 28.4 -13.2 24 694 A P - 0 0 105 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 -0.370 46.3-101.0 -62.1 143.7 -32.9 31.4 -14.3 25 695 A D + 0 0 40 4,-0.1 2,-0.3 -4,-0.1 3,-0.1 -0.355 53.6 165.0 -60.8 147.1 -30.8 32.7 -11.4 26 696 A S >> - 0 0 43 1,-0.1 4,-2.0 -3,-0.1 3,-1.5 -0.825 48.9-110.0-169.8 126.5 -32.4 35.8 -9.8 27 697 A F H 3> S+ 0 0 17 80,-0.4 4,-2.8 1,-0.3 5,-0.3 0.736 118.1 46.7 -22.2 -61.9 -31.7 37.5 -6.5 28 698 A A H 3> S+ 0 0 24 1,-0.2 4,-3.0 2,-0.2 192,-0.3 0.883 113.2 48.2 -55.6 -45.5 -35.1 36.3 -5.0 29 699 A A H <> S+ 0 0 17 -3,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.892 113.8 46.6 -66.1 -41.2 -34.7 32.7 -6.2 30 700 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.964 119.2 39.2 -66.5 -51.2 -31.2 32.4 -4.9 31 701 A L H X S+ 0 0 5 -4,-2.8 4,-3.1 -5,-0.3 5,-0.3 0.909 111.2 56.4 -66.9 -43.1 -31.9 33.9 -1.5 32 702 A S H X S+ 0 0 21 -4,-3.0 4,-1.8 -5,-0.3 -1,-0.2 0.910 112.8 45.5 -53.7 -40.5 -35.4 32.3 -1.0 33 703 A S H X S+ 0 0 17 -4,-1.5 4,-3.2 -5,-0.3 -1,-0.2 0.870 109.1 52.0 -72.1 -39.5 -33.5 29.0 -1.5 34 704 A L H X S+ 0 0 25 -4,-2.1 4,-3.4 2,-0.2 -2,-0.2 0.926 111.5 49.5 -62.9 -40.1 -30.6 29.8 0.8 35 705 A N H X S+ 0 0 14 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.885 111.6 47.4 -65.3 -39.1 -33.3 30.7 3.5 36 706 A E H X S+ 0 0 68 -4,-1.8 4,-2.1 -5,-0.3 -2,-0.2 0.952 114.5 47.0 -65.2 -46.9 -35.1 27.4 2.8 37 707 A L H X S+ 0 0 7 -4,-3.2 4,-3.0 1,-0.2 5,-0.3 0.932 110.7 53.2 -57.0 -46.3 -31.7 25.6 3.1 38 708 A G H X S+ 0 0 12 -4,-3.4 4,-1.2 1,-0.2 -1,-0.2 0.900 108.5 49.5 -55.6 -44.0 -31.0 27.6 6.2 39 709 A E H X S+ 0 0 18 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.850 113.8 45.9 -64.3 -37.4 -34.3 26.4 7.7 40 710 A R H >X S+ 0 0 94 -4,-2.1 3,-1.4 2,-0.2 4,-1.3 0.961 111.8 48.3 -71.2 -53.8 -33.5 22.8 6.9 41 711 A Q H 3X S+ 0 0 23 -4,-3.0 4,-2.1 1,-0.3 -1,-0.2 0.778 103.6 65.7 -58.6 -23.2 -29.9 22.8 8.1 42 712 A L H 3X S+ 0 0 0 -4,-1.2 4,-1.9 -5,-0.3 -1,-0.3 0.863 97.2 54.2 -67.4 -33.1 -31.3 24.4 11.3 43 713 A V H < S+ 0 0 12 -4,-3.5 3,-1.0 -5,-0.2 -2,-0.2 0.970 113.3 49.1 -63.5 -52.8 -26.7 17.4 16.2 49 719 A A H >< S+ 0 0 0 -4,-4.3 3,-1.5 1,-0.3 -2,-0.2 0.858 108.0 52.5 -54.9 -44.6 -26.2 19.9 19.1 50 720 A K H 3< S+ 0 0 27 -4,-1.9 6,-0.3 1,-0.3 -1,-0.3 0.679 104.6 56.2 -68.2 -20.9 -28.4 18.0 21.6 51 721 A A T << S+ 0 0 51 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.215 84.4 117.7 -96.5 14.3 -26.5 14.8 21.0 52 722 A L S X S- 0 0 6 -3,-1.5 3,-2.2 1,-0.1 4,-0.5 -0.577 81.2 -88.8 -81.7 142.5 -23.2 16.5 21.9 53 723 A P T 3 S- 0 0 43 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.256 108.8 -5.0 -52.2 127.0 -21.3 15.3 24.9 54 724 A G T > S+ 0 0 37 1,-0.1 3,-0.7 -3,-0.1 4,-0.3 0.541 97.6 121.8 64.8 9.1 -22.5 17.1 28.1 55 725 A F G X + 0 0 0 -3,-2.2 3,-2.0 1,-0.2 -4,-0.1 0.911 66.1 56.7 -69.3 -46.4 -24.8 19.4 26.1 56 726 A R G 3 S+ 0 0 134 -4,-0.5 -1,-0.2 -6,-0.3 4,-0.1 0.482 91.9 76.4 -66.2 0.4 -28.1 18.5 27.9 57 727 A N G < S+ 0 0 113 -3,-0.7 -1,-0.3 2,-0.1 -2,-0.2 0.802 77.1 91.3 -78.3 -31.2 -26.3 19.5 31.1 58 728 A L S < S- 0 0 3 -3,-2.0 2,-0.1 -4,-0.3 5,-0.1 -0.320 100.7 -89.9 -61.4 147.0 -26.9 23.1 30.0 59 729 A H >> - 0 0 74 94,-0.2 3,-1.7 1,-0.2 4,-1.4 -0.401 40.0-116.3 -58.8 130.5 -30.1 24.7 31.3 60 730 A V H 3> S+ 0 0 72 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.748 116.2 53.9 -41.8 -30.6 -32.7 24.1 28.6 61 731 A D H 3> S+ 0 0 73 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.851 105.1 50.0 -75.4 -36.4 -32.9 27.8 28.1 62 732 A D H <> S+ 0 0 4 -3,-1.7 4,-2.2 1,-0.2 5,-0.2 0.661 103.2 64.2 -75.0 -14.0 -29.2 28.3 27.5 63 733 A Q H X S+ 0 0 6 -4,-1.4 4,-1.3 2,-0.2 -1,-0.2 0.841 106.7 41.1 -75.4 -34.6 -29.6 25.4 25.0 64 734 A M H X S+ 0 0 15 -4,-0.8 4,-3.5 -3,-0.3 5,-0.3 0.943 115.0 52.2 -73.7 -52.7 -31.9 27.6 22.9 65 735 A A H X S+ 0 0 13 -4,-2.2 4,-2.2 1,-0.2 5,-0.3 0.953 112.0 43.1 -47.7 -65.3 -29.8 30.7 23.4 66 736 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.908 117.3 46.3 -52.8 -46.9 -26.5 29.1 22.3 67 737 A I H X S+ 0 0 0 -4,-1.3 4,-1.4 -5,-0.2 -1,-0.2 0.955 114.1 49.1 -60.1 -47.8 -28.0 27.3 19.3 68 738 A Q H < S+ 0 0 9 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.757 115.5 42.6 -63.2 -28.9 -29.9 30.5 18.2 69 739 A Y H < S+ 0 0 24 -4,-2.2 4,-0.3 -5,-0.3 -1,-0.2 0.754 119.9 40.2 -91.4 -23.7 -26.9 32.7 18.5 70 740 A S H X S+ 0 0 4 -4,-2.0 4,-1.8 -5,-0.3 5,-0.2 0.504 80.6 95.5-107.4 -1.2 -24.3 30.4 16.9 71 741 A W H X S+ 0 0 12 -4,-1.4 4,-3.5 1,-0.2 5,-0.3 0.899 83.3 57.1 -56.3 -42.8 -26.0 28.7 13.9 72 742 A M H > S+ 0 0 18 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.945 110.8 41.5 -53.6 -54.0 -24.8 31.2 11.4 73 743 A G H > S+ 0 0 6 -4,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.812 116.9 50.2 -65.1 -30.4 -21.1 30.6 12.2 74 744 A L H X S+ 0 0 6 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.944 112.8 44.7 -72.3 -49.7 -21.7 26.9 12.5 75 745 A M H X S+ 0 0 19 -4,-3.5 4,-2.3 1,-0.2 -2,-0.2 0.876 113.7 50.1 -63.1 -39.2 -23.4 26.6 9.2 76 746 A V H X S+ 0 0 10 -4,-2.5 4,-1.4 -5,-0.3 -1,-0.2 0.862 111.0 51.0 -67.4 -35.1 -20.9 28.8 7.4 77 747 A F H >X S+ 0 0 0 -4,-1.4 4,-1.2 -5,-0.2 3,-0.5 0.983 113.1 41.7 -66.2 -56.8 -18.0 26.7 8.9 78 748 A A H >X S+ 0 0 18 -4,-2.4 4,-2.6 1,-0.3 3,-1.0 0.926 113.2 54.8 -54.9 -48.4 -19.4 23.3 7.8 79 749 A M H 3X S+ 0 0 4 -4,-2.3 4,-2.0 1,-0.3 14,-0.3 0.817 105.4 53.2 -56.1 -32.9 -20.4 24.8 4.4 80 750 A G H > S- 0 0 26 -5,-0.3 3,-2.5 -4,-0.2 4,-0.5 0.100 104.5-115.8 -81.4 24.9 -15.5 21.7 -5.5 88 758 A N T 34 - 0 0 115 1,-0.3 -4,-0.3 -6,-0.2 -3,-0.1 0.860 60.9 -66.1 38.3 57.1 -12.2 22.1 -3.7 89 759 A S T 34 S+ 0 0 9 -6,-1.8 -1,-0.3 1,-0.2 33,-0.2 0.578 113.9 115.9 46.3 13.5 -13.0 25.6 -2.4 90 760 A R T <4 S+ 0 0 198 -3,-2.5 -2,-0.2 -7,-0.3 -1,-0.2 0.895 87.0 5.3 -72.1 -42.9 -13.0 26.7 -6.0 91 761 A M S < S- 0 0 55 -4,-0.5 2,-0.5 -8,-0.2 10,-0.2 -0.338 94.6 -88.0-119.5-158.8 -16.7 27.6 -5.7 92 762 A L E -A 100 0A 0 8,-1.7 8,-3.1 -2,-0.1 2,-1.5 -0.924 28.6-160.6-126.2 106.7 -19.2 27.5 -2.7 93 763 A Y E +A 99 0A 45 -2,-0.5 6,-0.2 -14,-0.3 -10,-0.1 -0.575 26.2 157.5 -88.4 76.9 -20.9 24.2 -2.1 94 764 A F E S- 0 0 19 -2,-1.5 -1,-0.2 4,-0.8 5,-0.2 0.900 74.4 -15.6 -64.6 -43.4 -23.9 25.3 0.0 95 765 A A E > S-A 98 0A 0 3,-1.0 3,-1.9 -3,-0.2 -1,-0.2 -0.965 72.3-100.3-154.8 163.0 -25.9 22.2 -0.9 96 766 A P T 3 S+ 0 0 47 0, 0.0 3,-0.2 0, 0.0 -80,-0.1 0.875 127.1 37.1 -56.6 -35.5 -25.6 19.4 -3.6 97 767 A D T 3 S+ 0 0 32 1,-0.2 -78,-0.2 -3,-0.0 -76,-0.1 0.000 116.7 55.3-105.4 25.8 -28.4 21.2 -5.6 98 768 A L E < +A 95 0A 0 -3,-1.9 -3,-1.0 -80,-0.1 -4,-0.8 -0.434 63.5 160.5-157.5 71.7 -27.2 24.8 -4.8 99 769 A V E -A 93 0A 30 -3,-0.2 2,-0.6 -6,-0.2 -6,-0.2 -0.844 32.1-136.2 -99.7 130.8 -23.6 25.4 -5.7 100 770 A F E -A 92 0A 0 -8,-3.1 -8,-1.7 -2,-0.5 2,-0.2 -0.773 20.6-176.2 -94.7 120.4 -22.4 28.9 -6.2 101 771 A N > - 0 0 65 -2,-0.6 4,-2.2 -10,-0.2 3,-0.3 -0.628 50.6 -88.3-100.0 167.3 -20.2 29.8 -9.1 102 772 A E H > S+ 0 0 87 1,-0.2 4,-1.7 -2,-0.2 5,-0.2 0.823 127.8 56.1 -42.4 -42.2 -18.8 33.4 -9.5 103 773 A Y H >> S+ 0 0 120 1,-0.2 4,-2.6 2,-0.2 3,-0.5 0.968 109.1 42.8 -59.5 -55.8 -22.0 34.4 -11.4 104 774 A R H 3> S+ 0 0 19 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.815 108.1 62.4 -60.7 -31.1 -24.4 33.4 -8.7 105 775 A M H 3<>S+ 0 0 0 -4,-2.2 5,-1.0 1,-0.2 6,-0.3 0.889 112.0 36.9 -61.0 -39.9 -22.0 35.0 -6.2 106 776 A H H X<5S+ 0 0 126 -4,-1.7 3,-1.2 -3,-0.5 -2,-0.2 0.844 112.4 59.5 -79.4 -36.2 -22.6 38.3 -7.9 107 777 A K H 3<5S+ 0 0 65 -4,-2.6 -80,-0.4 1,-0.3 -2,-0.2 0.793 100.9 53.6 -65.1 -30.7 -26.3 37.6 -8.6 108 778 A S T 3<5S- 0 0 0 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.1 0.486 109.5-122.6 -82.5 -4.7 -27.2 37.2 -5.0 109 779 A R T < 5S+ 0 0 149 -3,-1.2 -3,-0.1 -5,-0.1 -2,-0.1 0.721 90.5 96.6 70.4 22.8 -25.7 40.6 -4.2 110 780 A M >< + 0 0 9 -5,-1.0 4,-2.7 1,-0.1 3,-0.4 0.046 32.2 129.3-129.2 26.4 -23.3 39.1 -1.6 111 781 A Y H > S+ 0 0 86 -6,-0.3 4,-2.5 1,-0.2 5,-0.2 0.904 74.9 55.0 -47.7 -46.4 -20.2 38.6 -3.6 112 782 A S H > S+ 0 0 73 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.907 111.2 42.0 -56.0 -46.9 -18.2 40.4 -0.9 113 783 A Q H > S+ 0 0 24 -3,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.849 114.0 53.7 -69.7 -33.6 -19.4 38.0 1.9 114 784 A C H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 -2,-0.2 0.838 102.5 57.6 -68.2 -35.5 -18.9 35.0 -0.5 115 785 A V H X S+ 0 0 33 -4,-2.5 4,-1.4 -5,-0.3 -1,-0.2 0.899 110.0 44.6 -60.8 -41.7 -15.3 36.1 -1.2 116 786 A R H X S+ 0 0 84 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.834 112.3 51.7 -73.2 -33.4 -14.6 35.9 2.5 117 787 A M H X S+ 0 0 3 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.934 109.1 49.8 -69.1 -42.9 -16.4 32.6 2.8 118 788 A R H X S+ 0 0 36 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.841 107.4 55.7 -64.5 -30.4 -14.4 31.1 -0.0 119 789 A H H X S+ 0 0 90 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.931 107.3 48.4 -63.6 -47.1 -11.2 32.3 1.7 120 790 A L H X S+ 0 0 5 -4,-1.9 4,-1.0 1,-0.2 -2,-0.2 0.915 108.4 56.0 -57.1 -44.1 -12.2 30.4 4.8 121 791 A S H >X S+ 0 0 0 -4,-2.3 3,-0.6 1,-0.2 4,-0.6 0.905 107.0 48.7 -55.8 -43.6 -12.9 27.5 2.5 122 792 A Q H >X S+ 0 0 51 -4,-2.0 4,-2.5 1,-0.2 3,-1.3 0.879 98.7 68.4 -65.3 -38.3 -9.3 27.7 1.2 123 793 A E H 3X S+ 0 0 61 -4,-2.1 4,-2.8 1,-0.3 6,-0.3 0.806 90.5 62.1 -51.0 -35.7 -7.9 27.9 4.8 124 794 A F H <<>S+ 0 0 0 -4,-1.0 5,-2.2 -3,-0.6 -1,-0.3 0.900 112.6 38.0 -59.8 -38.2 -8.9 24.3 5.3 125 795 A G H X<5S+ 0 0 26 -3,-1.3 3,-1.7 -4,-0.6 -2,-0.2 0.966 115.6 49.6 -75.6 -56.0 -6.6 23.4 2.5 126 796 A W H 3<5S+ 0 0 160 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.866 119.1 40.4 -51.3 -39.8 -3.8 25.8 3.3 127 797 A L T 3<5S- 0 0 28 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.442 104.3-130.5 -90.9 -0.4 -3.7 24.7 6.9 128 798 A Q T < 5 - 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0 0 24 -3,-0.8 -1,-0.2 3,-0.0 -2,-0.1 -0.285 27.8 -78.4 114.0 158.9 -24.5 35.8 30.8 151 821 A L > - 0 0 19 -2,-0.1 3,-0.7 -3,-0.1 4,-0.1 -0.158 54.1 -88.3 -82.0-179.7 -26.8 32.7 30.3 152 822 A K T 3 S+ 0 0 144 1,-0.3 2,-0.6 -93,-0.1 3,-0.2 0.964 128.0 20.5 -54.1 -55.5 -29.2 31.3 32.9 153 823 A N T 3> S+ 0 0 63 1,-0.2 4,-1.4 -94,-0.1 -1,-0.3 -0.764 74.4 161.4-118.3 83.4 -26.4 29.0 34.2 154 824 A Q H <> + 0 0 45 -3,-0.7 4,-2.3 -2,-0.6 5,-0.2 0.874 69.5 65.3 -68.6 -40.4 -23.2 30.7 33.0 155 825 A K H > S+ 0 0 157 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.863 108.0 41.7 -50.7 -40.7 -21.0 28.9 35.5 156 826 A F H > S+ 0 0 38 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.846 107.4 58.4 -80.0 -35.6 -21.8 25.7 33.8 157 827 A F H X S+ 0 0 0 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.917 105.8 51.9 -58.5 -43.4 -21.6 26.9 30.2 158 828 A D H X S+ 0 0 72 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.834 107.7 53.2 -63.4 -32.0 -18.0 28.0 30.8 159 829 A E H X S+ 0 0 85 -4,-0.8 4,-2.1 -5,-0.2 -2,-0.2 0.950 109.1 46.8 -66.3 -52.1 -17.2 24.5 32.2 160 830 A L H X S+ 0 0 8 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.920 112.9 51.3 -57.2 -42.6 -18.5 22.8 29.1 161 831 A R H X S+ 0 0 23 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.935 105.8 53.8 -61.1 -48.2 -16.6 25.2 26.9 162 832 A M H X S+ 0 0 103 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.912 108.8 50.3 -51.9 -46.2 -13.3 24.6 28.8 163 833 A N H X S+ 0 0 79 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.864 109.6 49.4 -62.6 -39.1 -13.7 20.8 28.1 164 834 A Y H X S+ 0 0 5 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.835 110.7 50.6 -70.8 -30.4 -14.3 21.3 24.4 165 835 A I H X S+ 0 0 41 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.888 109.0 51.7 -70.5 -39.7 -11.2 23.5 24.3 166 836 A K H X S+ 0 0 138 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.762 108.8 52.7 -67.8 -25.7 -9.2 20.8 26.0 167 837 A E H X S+ 0 0 43 -4,-1.2 4,-2.8 2,-0.2 3,-0.4 0.946 105.6 49.6 -74.4 -52.8 -10.5 18.3 23.5 168 838 A L H X S+ 0 0 0 -4,-2.1 4,-1.0 1,-0.3 -2,-0.2 0.809 111.0 56.4 -54.0 -27.2 -9.4 20.3 20.4 169 839 A D H X S+ 0 0 80 -4,-1.2 4,-2.1 2,-0.2 -1,-0.3 0.888 107.9 43.7 -72.7 -42.4 -6.2 20.5 22.4 170 840 A R H X S+ 0 0 78 -4,-1.4 4,-1.7 -3,-0.4 -2,-0.2 0.891 106.0 61.4 -70.4 -41.2 -5.8 16.7 22.7 171 841 A I H < S+ 0 0 14 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.873 111.7 40.0 -52.8 -38.7 -6.8 16.1 19.0 172 842 A I H < S+ 0 0 2 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.926 111.2 56.8 -75.1 -46.7 -3.7 18.1 18.1 173 843 A A H >< S+ 0 0 48 -4,-2.1 3,-0.8 -5,-0.1 2,-0.5 0.659 91.4 88.4 -59.6 -18.6 -1.5 16.6 20.8 174 844 A C T 3< S+ 0 0 55 -4,-1.7 3,-0.1 1,-0.2 -4,-0.0 -0.751 97.9 11.7 -89.2 125.9 -2.3 13.1 19.4 175 845 A K T 3 S+ 0 0 208 -2,-0.5 2,-0.3 1,-0.1 -1,-0.2 0.780 108.5 103.7 79.9 32.9 0.1 12.0 16.6 176 846 A R < - 0 0 78 -3,-0.8 -1,-0.1 2,-0.1 2,-0.1 -0.880 53.8-157.0-149.1 117.0 2.5 14.8 17.3 177 847 A K + 0 0 180 -2,-0.3 4,-0.3 -3,-0.1 5,-0.3 -0.302 57.6 13.4 -85.9 173.3 5.8 14.8 19.1 178 848 A N S S- 0 0 117 1,-0.2 4,-0.1 2,-0.1 -2,-0.1 -0.140 86.5 -97.4 56.0-158.2 7.8 17.6 21.0 179 849 A P S > S+ 0 0 92 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.569 97.2 72.8-142.0 4.0 6.0 20.8 21.7 180 850 A T H > S+ 0 0 92 2,-0.2 4,-1.4 3,-0.1 -2,-0.1 0.817 99.7 53.2 -83.1 -26.4 6.3 23.8 19.3 181 851 A S H > S+ 0 0 31 -4,-0.3 4,-3.5 2,-0.2 5,-0.2 0.937 112.7 43.8 -69.3 -48.4 4.3 22.2 16.5 182 852 A C H > S+ 0 0 29 -5,-0.3 4,-3.2 2,-0.2 5,-0.3 0.987 115.5 47.0 -56.5 -61.8 1.4 21.5 18.9 183 853 A S H X S+ 0 0 84 -4,-1.5 4,-0.7 1,-0.3 -1,-0.2 0.797 118.2 45.0 -48.5 -32.6 1.7 25.0 20.5 184 854 A R H X S+ 0 0 141 -4,-1.4 4,-2.0 2,-0.2 -1,-0.3 0.838 110.3 51.1 -82.4 -38.8 1.8 26.3 16.9 185 855 A R H X S+ 0 0 22 -4,-3.5 4,-2.5 1,-0.2 5,-0.2 0.934 109.3 52.6 -63.6 -45.1 -1.0 24.2 15.5 186 856 A F H X S+ 0 0 56 -4,-3.2 4,-1.6 1,-0.2 -1,-0.2 0.799 107.9 51.9 -61.1 -30.8 -3.2 25.4 18.4 187 857 A Y H X S+ 0 0 122 -4,-0.7 4,-1.2 -5,-0.3 -1,-0.2 0.920 110.7 46.7 -72.3 -44.5 -2.4 29.0 17.5 188 858 A Q H X S+ 0 0 61 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.903 114.6 46.4 -63.8 -44.6 -3.3 28.6 13.9 189 859 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.843 110.5 50.5 -69.9 -36.3 -6.6 26.8 14.6 190 860 A T H X S+ 0 0 3 -4,-1.6 4,-1.2 -5,-0.2 56,-0.3 0.791 111.8 51.2 -71.3 -25.4 -7.8 29.2 17.3 191 861 A K H X S+ 0 0 74 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.862 108.7 50.8 -74.6 -37.0 -7.0 32.0 14.8 192 862 A L H X S+ 0 0 6 -4,-1.6 4,-0.5 1,-0.2 -2,-0.2 0.912 109.1 50.1 -65.6 -45.7 -9.1 30.1 12.2 193 863 A L H >X S+ 0 0 3 -4,-2.3 3,-0.6 1,-0.2 4,-0.5 0.829 109.9 52.5 -61.5 -34.6 -12.0 29.8 14.6 194 864 A D H >< S+ 0 0 16 -4,-1.2 3,-1.4 1,-0.2 -2,-0.2 0.909 100.4 59.8 -68.6 -43.4 -11.7 33.6 15.3 195 865 A S H 3X S+ 0 0 46 -4,-2.0 4,-0.8 1,-0.3 -1,-0.2 0.629 95.4 67.0 -60.1 -14.9 -11.9 34.5 11.6 196 866 A V H S+ 0 0 45 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.870 113.4 46.0 -53.4 -39.8 -16.2 38.5 11.5 199 869 A I H X S+ 0 0 6 -4,-0.8 4,-1.6 2,-0.2 -2,-0.2 0.894 110.0 55.2 -69.3 -42.4 -17.8 36.6 8.5 200 870 A A H >X S+ 0 0 2 -4,-2.3 4,-1.9 1,-0.2 3,-0.5 0.948 105.9 49.4 -56.5 -52.3 -20.7 35.5 10.6 201 871 A R H 3X S+ 0 0 106 -4,-2.6 4,-2.4 1,-0.3 -1,-0.2 0.804 106.2 57.8 -59.8 -31.5 -21.7 39.0 11.7 202 872 A E H 3X S+ 0 0 67 -4,-1.1 4,-2.4 -5,-0.3 -1,-0.3 0.887 108.7 45.2 -64.1 -41.2 -21.6 40.2 8.1 203 873 A L H < S+ 0 0 24 -4,-2.3 3,-1.3 1,-0.2 4,-0.4 0.902 104.8 59.2 -60.3 -43.7 -35.8 40.3 6.1 212 882 A I H 3< S+ 0 0 96 -4,-2.1 3,-0.2 1,-0.3 -1,-0.2 0.903 121.2 25.6 -53.0 -45.5 -36.9 43.9 6.7 213 883 A K T >X S+ 0 0 95 -4,-1.4 3,-2.1 -5,-0.2 4,-1.2 0.145 86.7 118.9-106.9 18.8 -37.4 44.5 3.0 214 884 A S H X>>S+ 0 0 21 -3,-1.3 5,-2.0 1,-0.3 4,-0.9 0.885 74.0 53.9 -51.4 -45.1 -38.1 40.9 2.0 215 885 A H H 345S+ 0 0 148 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.597 105.5 55.6 -68.6 -9.3 -41.6 41.6 0.8 216 886 A M H <45S+ 0 0 137 -3,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.739 115.4 35.5 -91.5 -28.1 -40.1 44.3 -1.5 217 887 A V H <<5S- 0 0 33 -4,-1.2 -2,-0.2 -3,-0.7 -189,-0.2 0.361 110.6-116.4-106.5 2.5 -37.7 42.0 -3.2 218 888 A S T <5 + 0 0 86 -4,-0.9 2,-0.6 1,-0.2 -3,-0.2 0.759 60.9 152.1 69.0 28.8 -39.9 39.0 -3.2 219 889 A V < - 0 0 5 -5,-2.0 -1,-0.2 -6,-0.2 2,-0.2 -0.823 35.6-141.5 -96.5 120.8 -37.6 36.9 -1.0 220 890 A D - 0 0 113 -2,-0.6 -185,-0.2 -192,-0.3 -184,-0.1 -0.491 10.1-158.5 -81.8 147.2 -39.3 34.3 1.1 221 891 A F - 0 0 33 -2,-0.2 -189,-0.1 -186,-0.1 -185,-0.1 -0.984 17.9-126.4-125.5 126.2 -38.3 33.4 4.7 222 892 A P > - 0 0 8 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.089 33.6-106.0 -58.8 177.0 -39.1 30.2 6.4 223 893 A E H > S+ 0 0 126 2,-0.2 4,-0.9 1,-0.2 5,-0.1 0.875 118.0 43.5 -77.2 -39.4 -40.9 30.5 9.8 224 894 A M H > S+ 0 0 5 2,-0.2 4,-2.3 3,-0.2 -1,-0.2 0.775 116.4 53.0 -74.1 -25.8 -38.1 29.7 12.2 225 895 A M H > S+ 0 0 5 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.976 109.2 43.2 -70.3 -59.7 -35.9 31.9 10.0 226 896 A A H X S+ 0 0 30 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.777 117.2 53.5 -57.9 -24.8 -38.0 35.0 10.0 227 897 A E H X S+ 0 0 60 -4,-0.9 4,-0.8 -5,-0.2 3,-0.4 0.940 111.9 39.3 -75.8 -49.9 -38.4 34.3 13.7 228 898 A I H X>S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 5,-1.9 0.830 110.0 59.2 -71.2 -35.0 -34.8 34.0 14.7 229 899 A I H <5S+ 0 0 1 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.681 115.7 34.4 -70.4 -19.0 -33.5 36.9 12.5 230 900 A S H <5S+ 0 0 61 -4,-0.5 -1,-0.2 -3,-0.4 -2,-0.2 0.503 125.1 40.1-111.8 -7.9 -35.8 39.4 14.2 231 901 A V H <5S+ 0 0 56 -4,-0.8 -2,-0.2 -3,-0.1 -3,-0.2 0.634 132.2 12.9-114.5 -18.9 -35.7 37.9 17.8 232 902 A Q T >X5S+ 0 0 12 -4,-2.2 3,-0.8 -5,-0.2 4,-0.7 0.674 119.0 58.4-124.9 -43.3 -32.0 36.9 18.3 233 903 A V H >> S+ 0 0 39 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.813 102.0 52.5 -53.5 -29.8 -30.9 41.9 16.4 235 905 A K H <4>S+ 0 0 62 -3,-0.8 6,-2.4 2,-0.2 5,-1.7 0.702 107.7 49.9 -82.2 -18.2 -29.3 41.5 19.8 236 906 A I H X<5S+ 0 0 4 -3,-1.5 3,-1.5 -4,-0.7 -1,-0.2 0.916 113.8 46.4 -79.4 -47.5 -26.1 40.3 18.2 237 907 A L H 3<5S+ 0 0 29 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.1 0.788 112.0 50.6 -63.2 -30.6 -26.1 43.4 16.0 238 908 A S T 3<5S- 0 0 81 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.232 118.9-107.4 -93.3 13.1 -27.0 45.7 18.8 239 909 A G T < 5S+ 0 0 29 -3,-1.5 -3,-0.2 2,-0.3 -91,-0.1 0.526 90.5 112.0 77.6 6.7 -24.2 44.4 21.0 240 910 A K S S+ 0 0 56 -2,-0.1 4,-0.7 -28,-0.0 -28,-0.1 -0.279 125.6 55.6 132.5 -34.0 -41.4 25.7 16.5 253 118 B L H >> S+ 0 0 1 2,-0.2 4,-1.3 3,-0.1 3,-1.1 0.922 105.0 51.1 -81.3 -58.5 -37.7 25.8 17.4 254 119 B K H >> S+ 0 0 113 1,-0.3 4,-2.4 2,-0.2 3,-0.7 0.875 108.6 53.8 -43.2 -46.5 -38.5 25.3 21.1 255 120 B K H 34 S+ 0 0 125 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.843 103.0 54.4 -62.1 -36.1 -40.6 22.3 20.1 256 121 B I H << S+ 0 0 24 -3,-1.1 3,-0.3 -4,-0.7 -1,-0.2 0.768 115.3 42.7 -69.1 -23.4 -37.8 20.6 18.1 257 122 B L H << S+ 0 0 0 -4,-1.3 2,-4.0 -3,-0.7 -2,-0.2 0.953 107.2 52.3 -86.3 -61.7 -35.7 20.9 21.3 258 123 B L < 0 0 104 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.0 -0.334 360.0 360.0 -73.0 58.7 -38.0 19.9 24.2 259 124 B E 0 0 167 -2,-4.0 -1,-0.2 -3,-0.3 -4,-0.0 -0.348 360.0 360.0-157.8 360.0 -38.5 16.9 21.9