==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 03-FEB-06 2FX0 . COMPND 2 MOLECULE: HEMOLYSIN II REGULATORY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR O.V.KOVALEVSKIY,A.A.LEBEDEV,A.S.SOLONIN,A.A.ANTSON . 179 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10691.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 74.9 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 . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 59.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 4.5 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 2 0 0 1 3 0 1 0 1 1 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 4 A S > 0 0 89 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 152.3 22.6 86.7 56.5 2 5 A R H > + 0 0 121 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.876 360.0 51.2 -52.5 -43.4 21.4 83.1 55.9 3 6 A E H > S+ 0 0 107 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.917 110.5 46.8 -63.6 -45.8 25.0 81.8 56.2 4 7 A Q H > S+ 0 0 113 2,-0.2 4,-1.8 1,-0.2 3,-0.5 0.931 112.6 50.2 -61.7 -47.1 25.8 83.5 59.5 5 8 A T H X S+ 0 0 32 -4,-2.5 4,-2.5 1,-0.2 3,-0.3 0.918 107.8 54.0 -55.0 -45.5 22.5 82.3 61.0 6 9 A X H X S+ 0 0 28 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.777 105.3 54.3 -61.5 -30.7 23.4 78.8 59.8 7 10 A E H X S+ 0 0 80 -4,-1.4 4,-1.9 -3,-0.5 -1,-0.2 0.849 108.6 48.2 -69.7 -38.2 26.7 79.1 61.7 8 11 A N H X S+ 0 0 96 -4,-1.8 4,-2.1 -3,-0.3 -2,-0.2 0.915 112.0 49.4 -67.9 -42.9 24.8 79.9 64.8 9 12 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.903 109.5 52.0 -60.1 -44.3 22.4 77.0 64.3 10 13 A L H X S+ 0 0 11 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.920 108.8 49.9 -59.8 -45.3 25.4 74.6 63.7 11 14 A K H X S+ 0 0 146 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.916 113.2 46.5 -58.0 -47.2 27.0 75.7 67.0 12 15 A A H X S+ 0 0 6 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.864 112.9 51.4 -59.3 -39.2 23.7 75.1 68.8 13 16 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.4 0.865 104.1 54.5 -71.3 -40.0 23.3 71.8 67.0 14 17 A K H X S+ 0 0 39 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.922 112.6 47.2 -54.1 -44.4 26.8 70.5 68.0 15 18 A K H X S+ 0 0 88 -4,-1.5 4,-1.6 -5,-0.2 -2,-0.2 0.939 116.5 39.2 -65.5 -52.5 25.8 71.3 71.6 16 19 A K H X S+ 0 0 32 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.872 117.8 48.1 -71.6 -38.1 22.4 69.6 71.6 17 20 A F H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.882 110.9 52.7 -68.1 -40.6 23.4 66.6 69.5 18 21 A G H < S+ 0 0 7 -4,-1.9 -2,-0.2 -5,-0.4 -1,-0.2 0.846 115.1 43.0 -59.8 -36.5 26.4 66.2 71.7 19 22 A E H < S+ 0 0 98 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.2 0.950 132.2 14.1 -73.6 -51.4 24.1 66.2 74.7 20 23 A R H < S- 0 0 131 -4,-2.9 4,-0.4 1,-0.2 -3,-0.2 0.464 97.9-122.0-111.7 -7.1 21.2 64.0 73.6 21 24 A G X - 0 0 2 -4,-2.3 4,-1.1 -5,-0.3 -1,-0.2 0.015 43.1 -66.2 76.5 167.8 22.4 62.1 70.5 22 25 A Y T >4 S+ 0 0 31 1,-0.2 3,-1.0 2,-0.2 -1,-0.1 0.947 135.1 38.3 -54.8 -59.7 20.7 62.2 67.1 23 26 A E T 34 S+ 0 0 99 1,-0.2 -1,-0.2 -6,-0.0 -2,-0.1 0.709 114.9 57.6 -70.7 -19.8 17.4 60.5 67.9 24 27 A G T 34 S+ 0 0 36 -4,-0.4 2,-0.4 -7,-0.1 -1,-0.2 0.643 96.7 72.7 -81.9 -17.9 17.3 62.3 71.3 25 28 A T << - 0 0 3 -4,-1.1 2,-0.3 -3,-1.0 -8,-0.0 -0.817 65.3-153.3-105.0 137.0 17.4 65.8 69.9 26 29 A S > - 0 0 30 -2,-0.4 4,-1.5 1,-0.1 3,-0.3 -0.748 27.4-122.6-101.2 154.8 14.7 67.7 68.1 27 30 A I H > S+ 0 0 23 -2,-0.3 4,-2.7 1,-0.2 5,-0.1 0.824 114.4 61.5 -58.7 -31.5 15.1 70.5 65.5 28 31 A Q H > S+ 0 0 109 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.873 101.5 49.0 -62.5 -43.5 12.9 72.6 68.0 29 32 A E H > S+ 0 0 61 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.888 114.4 46.0 -63.3 -41.8 15.5 72.3 70.8 30 33 A I H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.910 112.6 50.5 -67.1 -43.5 18.3 73.3 68.4 31 34 A A H X>S+ 0 0 2 -4,-2.7 5,-2.3 2,-0.2 4,-0.7 0.928 111.9 47.6 -59.9 -46.7 16.1 76.2 67.1 32 35 A K H ><5S+ 0 0 178 -4,-2.8 3,-1.2 1,-0.2 -2,-0.2 0.950 112.9 48.2 -57.2 -51.1 15.4 77.3 70.7 33 36 A E H 3<5S+ 0 0 81 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.848 114.1 47.0 -58.7 -37.0 19.1 77.1 71.6 34 37 A A H 3<5S- 0 0 18 -4,-2.5 -1,-0.3 2,-0.1 -2,-0.2 0.512 109.7-124.0 -82.6 -7.6 20.0 79.1 68.4 35 38 A K T <<5S+ 0 0 200 -3,-1.2 2,-0.3 -4,-0.7 -3,-0.2 0.904 75.6 109.7 58.4 43.0 17.3 81.7 69.0 36 39 A V S - 0 0 89 -2,-0.3 4,-2.1 -3,-0.1 3,-0.3 -0.620 29.5-115.6 -92.8 157.6 12.3 79.5 64.7 38 41 A V H > S+ 0 0 50 1,-0.2 4,-3.3 -2,-0.2 5,-0.2 0.871 110.8 54.4 -59.2 -44.6 12.0 75.8 63.6 39 42 A A H > S+ 0 0 71 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.886 110.4 47.2 -59.9 -42.1 10.8 76.5 60.0 40 43 A X H > S+ 0 0 60 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.955 114.0 46.8 -63.0 -51.5 13.8 78.7 59.3 41 44 A A H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.937 115.2 46.6 -53.4 -50.8 16.2 76.1 60.7 42 45 A S H X>S+ 0 0 51 -4,-3.3 5,-1.8 1,-0.2 4,-1.0 0.871 113.8 48.4 -63.3 -40.2 14.6 73.3 58.8 43 46 A Y H <5S+ 0 0 169 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.901 109.9 51.5 -63.9 -46.4 14.5 75.4 55.6 44 47 A Y H <5S+ 0 0 50 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.814 123.7 27.4 -65.5 -30.8 18.2 76.4 55.8 45 48 A F H <5S- 0 0 10 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.427 104.3-119.0-113.0 -1.4 19.5 72.9 56.3 46 49 A N T <5S- 0 0 122 -4,-1.0 4,-0.4 -3,-0.2 -3,-0.2 0.931 76.2 -33.4 58.7 47.3 16.8 70.9 54.6 47 50 A G S > S+ 0 0 53 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.822 123.6 54.3 -54.8 -40.9 17.2 67.6 60.9 49 52 A E H > S+ 0 0 76 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.921 111.1 43.9 -68.6 -43.1 19.2 64.8 59.2 50 53 A N H > S+ 0 0 64 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.892 110.5 56.2 -66.0 -40.2 21.1 67.1 56.9 51 54 A L H X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.916 106.4 51.4 -53.9 -44.7 21.7 69.5 59.7 52 55 A Y H X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 3,-0.5 0.910 108.9 49.4 -58.7 -46.2 23.3 66.6 61.6 53 56 A Y H X S+ 0 0 21 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.872 106.4 57.5 -61.3 -38.7 25.6 65.8 58.7 54 57 A E H X S+ 0 0 52 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.781 99.1 59.0 -63.4 -30.9 26.5 69.5 58.5 55 58 A V H X S+ 0 0 5 -4,-1.3 4,-2.7 -3,-0.5 3,-0.3 0.950 110.9 41.1 -62.9 -47.7 27.7 69.3 62.2 56 59 A F H X S+ 0 0 25 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.920 113.7 54.1 -60.9 -43.0 30.3 66.6 61.1 57 60 A K H < S+ 0 0 97 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.739 118.3 35.2 -66.6 -23.4 31.1 68.5 58.0 58 61 A K H < S+ 0 0 108 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.795 129.7 28.8 -99.2 -34.8 31.8 71.6 60.0 59 62 A Y H < S+ 0 0 70 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.511 85.7 116.7-111.7 -8.6 33.4 70.2 63.2 60 63 A G < - 0 0 18 -4,-2.4 4,-0.3 -5,-0.3 3,-0.1 -0.406 55.2-149.5 -60.1 137.2 35.0 67.0 61.9 61 64 A L S > S+ 0 0 44 1,-0.2 3,-0.9 57,-0.2 4,-0.1 0.748 78.6 78.4 -85.6 -26.3 38.8 67.2 62.3 62 65 A A G > S+ 0 0 23 56,-0.6 3,-1.9 1,-0.2 -1,-0.2 0.845 83.3 62.0 -55.4 -46.8 39.9 65.0 59.4 63 66 A N G 3 S+ 0 0 97 1,-0.3 -1,-0.2 55,-0.2 -2,-0.1 0.818 114.0 34.1 -50.9 -38.8 39.4 67.6 56.6 64 67 A E G < S+ 0 0 178 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.173 91.6 121.8-105.1 17.0 42.0 70.0 58.0 65 68 A L < - 0 0 28 -3,-1.9 -3,-0.0 -4,-0.1 2,-0.0 -0.664 57.6-133.9 -86.5 128.9 44.3 67.4 59.4 66 69 A P - 0 0 59 0, 0.0 2,-1.1 0, 0.0 3,-0.1 -0.302 30.1 -98.6 -72.6 162.7 47.9 67.4 58.1 67 70 A N > - 0 0 53 1,-0.2 4,-2.5 2,-0.1 5,-0.2 -0.783 38.3-165.0 -82.9 106.2 49.6 64.2 57.0 68 71 A F H > S+ 0 0 0 -2,-1.1 4,-1.2 2,-0.2 6,-0.2 0.793 82.4 52.9 -66.4 -35.2 51.6 63.5 60.2 69 72 A L H >4>S+ 0 0 5 2,-0.2 5,-3.3 1,-0.2 3,-0.9 0.988 114.1 42.2 -60.0 -57.7 53.9 60.9 58.6 70 73 A E H >45S+ 0 0 127 1,-0.3 3,-1.5 3,-0.2 -2,-0.2 0.873 112.9 54.3 -55.6 -42.8 55.0 63.3 55.8 71 74 A K H 3<5S+ 0 0 116 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.778 113.3 43.0 -64.1 -27.4 55.2 66.2 58.3 72 75 A N T X<5S- 0 0 27 -4,-1.2 3,-1.3 -3,-0.9 -1,-0.3 0.107 118.1-107.6-108.1 19.7 57.5 64.1 60.5 73 76 A Q T < 5S- 0 0 154 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.821 73.9 -60.7 56.1 36.2 59.7 62.7 57.6 74 77 A F T 3 - 0 0 56 -3,-1.3 4,-2.8 -6,-0.5 -1,-0.3 -0.845 34.8-159.2 -84.7 110.0 59.3 59.0 61.7 76 79 A P H > S+ 0 0 1 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.723 86.1 51.5 -71.5 -23.0 56.5 56.9 63.1 77 80 A I H > S+ 0 0 41 2,-0.2 4,-3.0 3,-0.2 5,-0.2 0.945 114.5 41.4 -76.4 -51.0 57.2 57.8 66.7 78 81 A N H > S+ 0 0 74 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.912 116.9 50.1 -58.8 -45.2 57.2 61.6 66.1 79 82 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.948 114.0 44.2 -58.7 -49.2 54.2 61.2 63.7 80 83 A L H X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 5,-0.3 0.900 111.7 53.4 -66.3 -41.5 52.2 59.2 66.3 81 84 A R H X S+ 0 0 90 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.931 113.4 43.5 -54.3 -47.3 53.3 61.6 69.1 82 85 A E H X S+ 0 0 43 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.923 113.9 50.4 -67.0 -45.7 51.9 64.5 67.1 83 86 A Y H X S+ 0 0 17 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.912 113.4 44.4 -57.1 -50.0 48.8 62.6 66.0 84 87 A L H X S+ 0 0 1 -4,-2.9 4,-3.1 2,-0.2 5,-0.3 0.865 113.6 51.1 -65.6 -37.9 47.9 61.6 69.6 85 88 A T H X S+ 0 0 68 -4,-2.1 4,-1.8 -5,-0.3 5,-0.3 0.941 110.4 48.5 -63.7 -49.1 48.7 65.1 70.9 86 89 A V H X S+ 0 0 44 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.929 118.1 42.8 -55.9 -45.5 46.4 66.7 68.3 87 90 A F H X S+ 0 0 19 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.952 112.2 47.6 -68.4 -53.2 43.7 64.3 69.2 88 91 A T H X S+ 0 0 35 -4,-3.1 4,-1.8 1,-0.2 5,-0.2 0.832 114.1 47.9 -61.8 -35.4 43.7 64.2 73.0 89 92 A T H X S+ 0 0 74 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.2 0.930 114.9 44.8 -71.5 -45.6 43.8 68.0 73.3 90 93 A H H X S+ 0 0 55 -4,-1.5 4,-1.4 -5,-0.3 -2,-0.2 0.858 113.1 51.3 -65.1 -38.9 41.0 68.5 70.9 91 94 A I H < S+ 0 0 8 -4,-2.7 6,-0.3 2,-0.2 7,-0.2 0.888 110.5 46.6 -69.6 -41.9 38.8 65.7 72.4 92 95 A K H < S+ 0 0 150 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.936 115.8 46.8 -64.8 -42.0 39.1 67.0 76.0 93 96 A E H < S+ 0 0 127 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.732 124.1 33.7 -71.4 -23.3 38.3 70.5 74.8 94 97 A N >< + 0 0 44 -4,-1.4 2,-1.0 -5,-0.1 3,-1.0 -0.591 63.6 173.7-133.8 74.1 35.4 69.3 72.6 95 98 A P T 3> + 0 0 69 0, 0.0 4,-0.6 0, 0.0 -4,-0.1 0.004 61.7 94.3 -76.0 33.8 33.6 66.3 74.3 96 99 A E T 34 S+ 0 0 51 -2,-1.0 4,-0.4 2,-0.2 -5,-0.1 0.146 81.0 56.9-102.9 9.5 30.9 66.4 71.6 97 100 A I T <>>S+ 0 0 49 -3,-1.0 4,-2.9 -6,-0.3 5,-0.6 0.682 95.4 66.5 -98.0 -29.2 33.0 63.8 69.8 98 101 A G H >5S+ 0 0 16 -4,-0.3 4,-0.9 -7,-0.2 -2,-0.2 0.934 112.6 29.6 -47.9 -57.3 32.8 61.6 72.8 99 102 A T H X5S+ 0 0 52 -4,-0.6 4,-2.8 1,-0.2 -1,-0.2 0.894 124.7 46.0 -73.5 -43.3 29.0 61.1 72.4 100 103 A L H >5S+ 0 0 9 -4,-0.4 4,-1.4 2,-0.2 5,-0.3 0.680 112.3 48.5 -80.2 -23.4 28.8 61.4 68.6 101 104 A A H X>S+ 0 0 4 -4,-2.9 5,-1.8 2,-0.2 4,-1.6 0.787 114.9 48.3 -84.6 -32.2 31.8 59.1 67.7 102 105 A Y H S+ 0 0 39 -4,-2.8 5,-2.6 1,-0.2 -2,-0.2 0.913 126.5 27.2 -50.2 -45.5 26.9 56.8 68.7 104 107 A E H <5S+ 0 0 0 -4,-1.4 -1,-0.2 3,-0.2 -3,-0.2 0.842 131.3 27.6 -98.8 -39.1 27.9 56.6 65.0 105 108 A I T <5S+ 0 0 45 -4,-1.6 -3,-0.2 -5,-0.3 -2,-0.1 0.933 129.2 32.4 -82.4 -53.6 31.2 54.8 64.7 106 109 A I T + 0 0 78 3,-0.0 3,-4.8 -6,-0.0 4,-0.4 0.442 55.2 101.4-151.4 -51.5 24.9 52.2 61.5 110 113 A A T 3 S+ 0 0 89 1,-0.3 3,-0.2 2,-0.1 -6,-0.0 0.671 107.2 18.1 -35.0 -55.4 21.8 53.9 60.2 111 114 A R T >> S+ 0 0 21 1,-0.2 4,-1.5 2,-0.1 3,-0.6 0.245 96.4 114.6 -94.5 8.1 23.5 57.2 59.0 112 115 A L H X> S+ 0 0 32 -3,-4.8 4,-3.1 1,-0.2 3,-0.6 0.890 71.0 51.2 -48.6 -55.1 27.0 55.6 59.0 113 116 A E H 34 S+ 0 0 124 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.844 108.1 53.1 -59.2 -36.5 27.7 55.8 55.3 114 117 A K H <4 S+ 0 0 106 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.844 118.5 34.3 -67.1 -36.3 26.8 59.5 55.1 115 118 A I H X< S+ 0 0 0 -4,-1.5 3,-2.7 -3,-0.6 4,-0.3 0.839 93.6 85.2 -93.2 -33.1 29.2 60.5 58.0 116 119 A K G >X S+ 0 0 68 -4,-3.1 3,-3.3 1,-0.3 4,-2.8 0.807 80.2 66.9 -27.3 -57.7 32.1 58.1 57.5 117 120 A P G 34 S+ 0 0 84 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.514 101.6 52.5 -50.1 -3.2 33.8 60.5 54.9 118 121 A Y G <4 S+ 0 0 79 -3,-2.7 -56,-0.6 -56,-0.1 -55,-0.2 0.429 124.5 18.8-119.6 -6.8 34.2 62.8 57.8 119 122 A F T <> S+ 0 0 25 -3,-3.3 4,-0.9 -4,-0.3 3,-0.3 0.445 99.8 84.7-134.0 -8.1 36.0 60.5 60.3 120 123 A I H X S+ 0 0 74 -4,-2.8 4,-2.2 1,-0.2 5,-0.1 0.793 87.5 59.8 -70.7 -25.6 37.4 57.6 58.2 121 124 A G H > S+ 0 0 34 -5,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.858 98.9 56.4 -65.5 -39.4 40.6 59.6 57.4 122 125 A S H > S+ 0 0 9 -3,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.828 113.9 40.9 -62.2 -32.5 41.5 60.0 61.1 123 126 A F H X S+ 0 0 53 -4,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.829 111.5 53.9 -84.7 -36.3 41.4 56.2 61.3 124 127 A E H X S+ 0 0 97 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.887 111.2 48.4 -64.7 -37.7 43.1 55.5 58.0 125 128 A Q H X S+ 0 0 17 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.924 108.3 50.9 -70.5 -49.3 46.0 57.8 59.2 126 129 A L H X S+ 0 0 3 -4,-1.5 4,-2.7 1,-0.2 -1,-0.2 0.902 111.4 51.3 -50.8 -43.0 46.4 56.2 62.6 127 130 A K H X S+ 0 0 61 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.873 108.6 50.7 -63.0 -38.8 46.5 52.9 60.8 128 131 A E H X S+ 0 0 79 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.907 111.2 47.7 -65.1 -44.7 49.2 54.2 58.4 129 132 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.940 113.5 46.7 -65.3 -47.8 51.3 55.5 61.3 130 133 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.915 115.8 45.7 -61.4 -42.5 51.0 52.2 63.2 131 134 A Q H X S+ 0 0 83 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.847 111.1 50.9 -70.5 -34.9 51.8 50.1 60.1 132 135 A E H X S+ 0 0 34 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.904 112.1 50.1 -66.6 -40.5 54.8 52.3 59.1 133 136 A G H <>S+ 0 0 0 -4,-2.3 5,-1.8 2,-0.2 6,-1.4 0.887 112.1 46.2 -59.5 -45.1 56.1 51.9 62.6 134 137 A E H ><5S+ 0 0 87 -4,-2.2 3,-1.6 4,-0.2 -2,-0.2 0.935 111.7 51.3 -63.7 -48.4 55.6 48.1 62.4 135 138 A K H 3<5S+ 0 0 154 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.905 109.2 50.7 -54.7 -45.5 57.3 48.0 59.0 136 139 A Q T 3<5S- 0 0 97 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.467 116.0-119.4 -74.7 -1.1 60.3 50.1 60.4 137 140 A G T < 5S+ 0 0 42 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.485 88.2 106.0 80.6 4.9 60.5 47.5 63.3 138 141 A V S - 0 0 20 1,-0.2 4,-1.9 2,-0.0 -1,-0.3 -0.969 55.0-158.2-126.5 121.9 46.7 42.7 65.9 144 147 A I H > S+ 0 0 31 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.927 99.6 57.0 -58.4 -40.8 46.6 46.0 64.2 145 148 A N H > S+ 0 0 91 2,-0.2 4,-3.4 1,-0.2 -1,-0.2 0.895 106.3 44.3 -55.2 -51.5 42.8 45.9 64.7 146 149 A H H > S+ 0 0 117 2,-0.2 4,-3.6 1,-0.2 5,-0.2 0.889 113.3 53.3 -64.3 -38.9 42.9 45.5 68.5 147 150 A T H X S+ 0 0 7 -4,-1.9 4,-1.9 2,-0.2 5,-0.2 0.866 111.4 44.7 -61.9 -42.8 45.6 48.2 68.7 148 151 A I H X S+ 0 0 25 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.963 113.9 52.0 -63.4 -52.3 43.3 50.5 66.8 149 152 A H H X S+ 0 0 140 -4,-3.4 4,-2.2 1,-0.2 -2,-0.2 0.934 115.4 39.3 -42.2 -62.1 40.4 49.4 69.0 150 153 A W H X S+ 0 0 97 -4,-3.6 4,-1.7 2,-0.2 -1,-0.2 0.736 113.2 52.5 -72.8 -26.5 42.3 50.1 72.3 151 154 A I H X S+ 0 0 3 -4,-1.9 4,-1.3 -5,-0.2 5,-0.2 0.963 111.8 48.2 -70.8 -49.7 44.0 53.3 71.3 152 155 A T H >X S+ 0 0 20 -4,-2.4 4,-3.1 -5,-0.2 3,-0.6 0.931 111.2 50.2 -48.6 -56.9 40.7 54.8 70.1 153 156 A S H 3X S+ 0 0 41 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.909 112.5 44.0 -52.9 -51.5 38.9 53.8 73.3 154 157 A I H 3< S+ 0 0 42 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.671 118.6 44.8 -74.8 -16.0 41.4 55.3 75.8 155 158 A V H << S+ 0 0 15 -4,-1.3 -2,-0.2 -3,-0.6 -1,-0.2 0.882 119.3 38.8 -89.3 -48.8 41.8 58.5 73.8 156 159 A L H < S+ 0 0 14 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.854 123.0 42.3 -67.6 -37.2 38.1 59.1 73.1 157 160 A F X + 0 0 53 -4,-2.4 4,-0.9 -5,-0.4 -1,-0.2 -0.751 56.8 162.0-124.1 80.7 36.9 58.0 76.6 158 161 A P H > S+ 0 0 63 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.676 79.5 57.0 -69.8 -23.0 39.2 59.2 79.5 159 162 A K H > S+ 0 0 162 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.786 104.2 52.1 -80.2 -28.1 36.5 58.6 82.1 160 163 A F H > S+ 0 0 100 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.792 103.9 58.7 -72.2 -28.5 36.3 54.9 81.0 161 164 A K H X S+ 0 0 53 -4,-0.9 4,-3.0 2,-0.2 5,-0.2 0.935 106.8 47.6 -59.2 -48.3 40.1 54.9 81.5 162 165 A K H X S+ 0 0 150 -4,-1.3 4,-1.4 1,-0.2 -2,-0.2 0.906 107.6 54.6 -56.7 -49.0 39.4 55.9 85.1 163 166 A F H < S+ 0 0 144 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.856 117.2 38.3 -54.3 -40.3 36.7 53.2 85.6 164 167 A I H < S+ 0 0 104 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.985 112.1 53.3 -72.9 -68.1 39.3 50.6 84.5 165 168 A D H < 0 0 121 -4,-3.0 -2,-0.2 -5,-0.1 -3,-0.2 0.654 360.0 360.0 -41.3 -22.6 42.4 52.0 86.1 166 169 A S < 0 0 125 -4,-1.4 -4,-0.0 -5,-0.2 0, 0.0 -0.553 360.0 360.0 -88.1 360.0 40.4 52.0 89.4 167 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 168 186 A D > 0 0 159 0, 0.0 4,-2.1 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0-167.1 51.2 61.2 80.3 169 187 A L H > + 0 0 24 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.812 360.0 54.8 -57.3 -40.3 48.9 59.2 78.0 170 188 A V H > S+ 0 0 23 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.950 111.5 44.9 -57.8 -50.8 50.8 59.8 74.7 171 189 A S H > S+ 0 0 54 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.854 110.9 55.2 -62.0 -36.7 54.0 58.5 76.4 172 190 A R H X S+ 0 0 119 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.889 109.6 46.0 -61.2 -42.6 52.0 55.5 77.8 173 191 A I H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.947 112.2 49.8 -68.6 -48.8 50.8 54.6 74.3 174 192 A I H X S+ 0 0 12 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.912 111.5 50.3 -51.9 -45.8 54.2 54.9 72.7 175 193 A S H X S+ 0 0 70 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.872 109.2 50.0 -66.1 -38.4 55.7 52.7 75.5 176 194 A A H < S+ 0 0 52 -4,-1.7 3,-0.3 1,-0.2 -1,-0.2 0.932 114.3 46.0 -62.1 -45.1 53.1 50.0 75.1 177 195 A L H < S+ 0 0 3 -4,-2.4 -37,-2.4 1,-0.2 -2,-0.2 0.885 112.3 47.7 -67.2 -41.9 53.7 49.9 71.3 178 196 A T H < S+ 0 0 52 -4,-2.4 -1,-0.2 -39,-0.2 -2,-0.2 0.633 87.2 109.3 -78.6 -16.7 57.5 49.8 71.4 179 197 A D < 0 0 113 -4,-1.0 -39,-0.1 -3,-0.3 -3,-0.0 -0.267 360.0 360.0 -64.6 147.6 57.7 47.1 74.0 180 198 A K 0 0 209 -41,-0.0 -2,-0.1 -39,-0.0 -1,-0.1 -0.971 360.0 360.0-128.7 360.0 58.9 43.7 73.0