==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 06-AUG-07 2QUP . COMPND 2 MOLECULE: BH1478 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS; . AUTHOR Y.PATSKOVSKY,J.B.BONANNO,M.RUTTER,C.MCKENZIE,K.T.BAIN,D.SMIT . 119 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7945.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 98 82.4 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 . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 78.2 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+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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 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 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 24 A G 0 0 131 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 24.4 -0.3 8.2 25.0 2 25 A V - 0 0 100 1,-0.1 2,-0.1 2,-0.0 0, 0.0 -0.271 360.0-120.1 -68.4 140.1 1.6 5.9 22.7 3 26 A S > - 0 0 61 1,-0.1 4,-1.4 -2,-0.0 5,-0.1 -0.397 14.1-123.4 -82.1 160.2 0.3 5.4 19.1 4 27 A F H > S+ 0 0 162 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.899 107.2 49.4 -71.5 -45.2 -0.7 2.0 17.7 5 28 A S H > S+ 0 0 89 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.749 108.7 55.6 -70.8 -26.3 1.6 1.8 14.6 6 29 A E H > S+ 0 0 90 2,-0.2 4,-1.7 3,-0.1 -1,-0.2 0.907 111.2 43.5 -64.3 -45.4 4.5 2.8 16.8 7 30 A V H X S+ 0 0 57 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.901 111.5 54.0 -69.4 -42.4 3.8 -0.2 19.1 8 31 A M H X S+ 0 0 113 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.885 108.6 50.2 -54.8 -47.2 3.2 -2.6 16.1 9 32 A G H X S+ 0 0 11 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.888 110.0 49.2 -60.6 -44.0 6.6 -1.6 14.7 10 33 A K H X S+ 0 0 122 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.853 112.3 48.4 -62.8 -38.1 8.4 -2.3 18.0 11 34 A Q H X S+ 0 0 96 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.845 108.5 54.3 -72.5 -37.4 6.7 -5.6 18.3 12 35 A R H X S+ 0 0 131 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.909 110.2 46.7 -58.9 -45.3 7.6 -6.4 14.7 13 36 A D H X S+ 0 0 15 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.869 111.8 52.4 -64.5 -39.4 11.3 -5.7 15.5 14 37 A E H X S+ 0 0 115 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.909 110.8 45.1 -64.0 -47.3 11.0 -7.8 18.7 15 38 A K H X S+ 0 0 126 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.866 112.0 52.4 -66.2 -40.2 9.6 -10.9 16.9 16 39 A A H X S+ 0 0 9 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.896 109.8 49.9 -61.9 -40.9 12.2 -10.6 14.1 17 40 A Y H X S+ 0 0 96 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.876 109.7 51.0 -59.9 -42.3 14.9 -10.5 16.8 18 41 A E H X S+ 0 0 108 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.868 108.4 51.2 -66.6 -40.8 13.4 -13.6 18.5 19 42 A R H X S+ 0 0 135 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.903 109.3 51.6 -61.3 -44.1 13.4 -15.4 15.2 20 43 A L H X S+ 0 0 5 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.797 107.4 52.5 -58.1 -34.5 17.0 -14.5 14.7 21 44 A Q H X S+ 0 0 100 -4,-1.3 4,-1.4 2,-0.2 -2,-0.2 0.903 110.2 48.1 -71.2 -41.3 17.8 -15.8 18.2 22 45 A A H X S+ 0 0 50 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.889 112.4 48.7 -64.3 -43.4 16.2 -19.2 17.3 23 46 A L H X S+ 0 0 14 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.866 107.7 54.8 -62.0 -40.6 18.1 -19.3 14.0 24 47 A M H X S+ 0 0 16 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.811 103.0 56.9 -65.1 -30.3 21.4 -18.5 15.8 25 48 A S H X S+ 0 0 69 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.942 110.4 43.6 -63.6 -49.9 20.7 -21.5 18.2 26 49 A K H X S+ 0 0 115 -4,-1.5 4,-2.7 2,-0.2 5,-0.3 0.933 112.9 52.8 -54.7 -50.2 20.5 -23.8 15.1 27 50 A I H X S+ 0 0 3 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.896 108.7 50.0 -56.3 -43.1 23.6 -22.1 13.6 28 51 A D H X S+ 0 0 63 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.904 113.5 45.5 -60.0 -44.9 25.5 -22.7 16.9 29 52 A D H X S+ 0 0 118 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.860 115.6 45.6 -68.2 -38.1 24.5 -26.4 16.9 30 53 A Q H X S+ 0 0 13 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.779 110.6 53.4 -77.1 -26.2 25.3 -26.9 13.2 31 54 A G H X S+ 0 0 1 -4,-1.7 4,-1.9 -5,-0.3 -2,-0.2 0.898 111.3 46.7 -78.7 -40.6 28.6 -25.0 13.5 32 55 A K H X S+ 0 0 100 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.930 111.6 50.5 -57.1 -53.2 29.6 -27.3 16.3 33 56 A L H X S+ 0 0 72 -4,-2.4 4,-3.3 1,-0.2 5,-0.3 0.906 110.8 50.2 -49.5 -47.1 28.5 -30.4 14.3 34 57 A L H X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.865 107.2 53.4 -64.5 -38.9 30.5 -29.1 11.3 35 58 A S H < S+ 0 0 1 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.817 116.9 39.6 -63.1 -31.8 33.6 -28.7 13.5 36 59 A E H < S+ 0 0 118 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.880 128.5 28.1 -82.7 -47.4 33.2 -32.3 14.7 37 60 A T H < S- 0 0 54 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.940 78.2-163.9 -85.6 -51.7 32.2 -34.0 11.4 38 61 A R < + 0 0 84 -4,-1.4 2,-0.3 -5,-0.3 -4,-0.1 0.831 36.0 142.2 70.4 41.2 33.9 -31.7 8.8 39 62 A T > - 0 0 54 1,-0.1 4,-2.0 -5,-0.1 3,-0.3 -0.716 64.3-122.0-106.7 159.3 32.0 -33.0 5.8 40 63 A I H > S+ 0 0 100 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.811 114.8 62.7 -67.1 -29.0 30.7 -31.0 2.9 41 64 A E H > S+ 0 0 112 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.872 106.8 41.8 -60.7 -38.1 27.3 -32.3 3.9 42 65 A E H > S+ 0 0 28 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.861 112.9 54.3 -81.1 -33.6 27.6 -30.4 7.2 43 66 A L H X S+ 0 0 6 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.930 105.7 53.5 -55.7 -50.3 29.1 -27.4 5.4 44 67 A R H X S+ 0 0 157 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.940 111.5 44.5 -51.6 -51.3 26.0 -27.3 3.1 45 68 A K H X S+ 0 0 106 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.887 113.9 51.2 -64.9 -39.3 23.6 -27.2 6.1 46 69 A Y H X S+ 0 0 3 -4,-2.2 4,-2.5 1,-0.2 3,-0.4 0.951 111.7 44.6 -58.9 -54.5 25.8 -24.6 7.9 47 70 A K H X S+ 0 0 63 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.792 108.8 57.7 -68.9 -27.7 26.0 -22.2 5.0 48 71 A E H X S+ 0 0 129 -4,-1.9 4,-1.0 -5,-0.3 -1,-0.2 0.854 111.4 42.8 -71.1 -30.3 22.3 -22.6 4.3 49 72 A L H X S+ 0 0 14 -4,-1.4 4,-2.0 -3,-0.4 -2,-0.2 0.896 115.1 48.6 -73.9 -44.2 21.5 -21.5 7.8 50 73 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.936 110.2 51.4 -65.3 -45.4 24.0 -18.6 7.8 51 74 A K H X S+ 0 0 149 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.827 110.0 50.6 -57.4 -37.1 22.8 -17.3 4.5 52 75 A E H X S+ 0 0 100 -4,-1.0 4,-1.7 -5,-0.2 -1,-0.2 0.865 110.0 49.8 -69.3 -37.5 19.2 -17.3 5.9 53 76 A F H X S+ 0 0 2 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.941 107.1 53.8 -62.8 -54.8 20.4 -15.4 9.0 54 77 A V H X S+ 0 0 24 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.912 108.2 50.9 -46.7 -51.5 22.2 -12.7 6.9 55 78 A G H X S+ 0 0 44 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.934 116.5 39.8 -51.1 -52.3 19.0 -12.1 4.9 56 79 A D H X S+ 0 0 50 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.812 115.1 51.2 -73.4 -33.9 16.9 -11.6 8.0 57 80 A A H X S+ 0 0 0 -4,-3.1 4,-3.3 2,-0.2 -1,-0.2 0.872 109.1 49.9 -71.7 -40.6 19.5 -9.7 10.0 58 81 A V H X S+ 0 0 28 -4,-2.7 4,-2.6 -5,-0.2 5,-0.2 0.916 110.3 51.9 -59.4 -45.2 20.1 -7.1 7.2 59 82 A E H X S+ 0 0 98 -4,-1.7 4,-1.1 -5,-0.3 -2,-0.2 0.919 115.1 41.1 -60.2 -46.0 16.4 -6.6 6.9 60 83 A L H X S+ 0 0 4 -4,-1.9 4,-2.6 2,-0.2 3,-0.3 0.932 113.5 54.4 -62.9 -50.2 16.1 -6.0 10.6 61 84 A G H X S+ 0 0 0 -4,-3.3 4,-1.4 1,-0.2 -2,-0.2 0.879 108.0 48.4 -47.8 -48.7 19.3 -3.9 10.7 62 85 A L H X S+ 0 0 47 -4,-2.6 4,-0.7 2,-0.2 -1,-0.2 0.794 112.9 48.4 -68.2 -31.7 18.2 -1.5 8.0 63 86 A R H >< S+ 0 0 32 -4,-1.1 3,-0.8 -3,-0.3 -2,-0.2 0.911 108.0 53.5 -73.7 -42.5 14.8 -1.0 9.7 64 87 A L H >< S+ 0 0 48 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.780 100.2 62.7 -60.6 -30.6 16.4 -0.4 13.1 65 88 A E H 3< S+ 0 0 19 -4,-1.4 5,-0.3 1,-0.3 -1,-0.2 0.855 99.3 56.1 -59.5 -38.0 18.5 2.4 11.5 66 89 A E T << 0 0 169 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.001 360.0 360.0 -86.7 25.4 15.2 4.1 10.7 67 90 A R < 0 0 131 -3,-1.4 -1,-0.2 0, 0.0 -2,-0.2 0.280 360.0 360.0-117.1 360.0 14.2 4.2 14.4 68 ! 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 69 94 A N 0 0 165 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 173.1 20.0 5.2 16.3 70 95 A R + 0 0 163 -5,-0.3 -5,-0.1 1,-0.1 -4,-0.0 0.317 360.0 149.3 -85.5 144.6 22.5 4.9 13.7 71 96 A R - 0 0 75 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.558 65.6-112.7-105.3 -25.3 25.5 2.8 12.8 72 97 A G > - 0 0 9 2,-0.1 4,-1.6 3,-0.1 5,-0.1 0.142 9.3-104.7 102.8 139.1 25.2 3.4 9.0 73 98 A R H > S+ 0 0 156 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.898 119.5 64.1 -58.7 -42.9 24.3 1.2 6.0 74 99 A T H > S+ 0 0 120 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.909 104.2 44.8 -43.7 -51.1 28.0 1.4 5.1 75 100 A K H > S+ 0 0 90 -4,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.906 112.2 50.4 -65.1 -46.2 28.8 -0.6 8.4 76 101 A I H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 3,-0.3 0.929 113.7 46.1 -57.5 -50.3 26.1 -3.2 8.0 77 102 A Y H X S+ 0 0 80 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.849 108.6 56.1 -62.0 -37.6 27.1 -3.8 4.4 78 103 A K H X S+ 0 0 96 -4,-2.1 4,-1.4 -5,-0.3 -1,-0.2 0.812 107.8 48.9 -65.0 -32.4 30.8 -4.0 5.5 79 104 A I H X S+ 0 0 6 -4,-1.7 4,-2.0 -3,-0.3 -2,-0.2 0.945 109.7 51.0 -72.1 -48.4 29.9 -6.8 8.0 80 105 A V H X S+ 0 0 38 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.863 109.6 51.4 -53.1 -41.7 28.0 -8.7 5.3 81 106 A K H X S+ 0 0 141 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.858 109.5 49.2 -64.8 -36.3 30.9 -8.5 3.0 82 107 A E H X S+ 0 0 55 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.802 108.0 54.4 -73.5 -30.0 33.3 -9.8 5.7 83 108 A V H X S+ 0 0 3 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.943 108.4 48.9 -63.7 -50.9 30.9 -12.7 6.4 84 109 A D H X S+ 0 0 97 -4,-2.1 4,-2.0 2,-0.2 5,-0.2 0.935 110.3 51.4 -53.3 -52.4 31.0 -13.7 2.7 85 110 A R H X S+ 0 0 108 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.920 113.0 45.8 -48.3 -52.6 34.9 -13.5 2.8 86 111 A K H X S+ 0 0 45 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.838 108.2 55.3 -61.6 -41.8 34.9 -15.8 5.9 87 112 A L H X S+ 0 0 21 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.894 108.6 48.5 -58.7 -41.9 32.4 -18.3 4.5 88 113 A L H X S+ 0 0 102 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.873 110.9 51.1 -67.0 -37.3 34.6 -18.8 1.4 89 114 A D H X S+ 0 0 80 -4,-1.6 4,-1.4 -5,-0.2 -1,-0.2 0.762 109.2 51.4 -70.3 -27.7 37.7 -19.2 3.6 90 115 A L H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 5,-0.2 0.915 105.2 54.3 -73.4 -50.2 35.8 -21.8 5.6 91 116 A T H X S+ 0 0 27 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.905 109.5 50.1 -44.4 -47.8 34.8 -23.8 2.5 92 117 A D H X S+ 0 0 113 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.899 109.4 49.2 -58.6 -45.2 38.5 -23.9 1.6 93 118 A A H < S+ 0 0 24 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.845 113.3 46.8 -69.5 -35.3 39.5 -25.2 5.0 94 119 A V H < S+ 0 0 4 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.833 113.5 49.3 -72.4 -35.0 36.9 -27.9 5.0 95 120 A L H < S+ 0 0 101 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.777 91.9 99.7 -76.5 -26.2 37.8 -28.9 1.4 96 121 A A S < S- 0 0 36 -4,-1.8 -3,-0.0 -5,-0.2 -4,-0.0 -0.217 82.5-115.1 -70.7 158.4 41.6 -29.1 2.2 97 122 A K S S+ 0 0 198 2,-0.0 2,-0.2 0, 0.0 -1,-0.1 0.913 100.6 46.5 -72.7 -54.3 43.2 -32.4 2.9 98 123 A E S S- 0 0 143 2,-0.0 2,-0.2 0, 0.0 -2,-0.0 -0.606 75.4-173.0 -78.7 154.4 44.2 -32.0 6.5 99 124 A K - 0 0 75 -2,-0.2 2,-0.5 -4,-0.1 -5,-0.1 -0.768 11.0-157.9-166.5 92.6 41.4 -30.6 8.6 100 125 A K > - 0 0 138 -2,-0.2 4,-2.1 1,-0.1 3,-0.3 -0.729 11.4-148.6 -99.0 122.0 41.5 -29.6 12.3 101 126 A G H > S+ 0 0 22 -2,-0.5 4,-2.1 1,-0.2 -1,-0.1 0.775 95.9 51.5 -54.9 -32.9 38.3 -29.4 14.4 102 127 A L H > S+ 0 0 118 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.889 108.9 48.3 -79.2 -38.8 39.5 -26.5 16.6 103 128 A D H > S+ 0 0 70 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.894 112.8 50.6 -59.8 -44.8 40.5 -24.2 13.8 104 129 A I H X S+ 0 0 3 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.921 108.7 51.9 -59.8 -45.4 37.1 -24.9 12.2 105 130 A L H X S+ 0 0 49 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.908 109.4 49.7 -51.7 -47.7 35.5 -24.1 15.5 106 131 A N H X S+ 0 0 94 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.912 108.4 53.1 -60.2 -42.9 37.4 -20.8 15.6 107 132 A M H X S+ 0 0 57 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.867 111.0 45.4 -61.6 -43.3 36.3 -20.0 12.0 108 133 A V H X S+ 0 0 14 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.764 110.1 54.9 -71.6 -23.6 32.6 -20.5 12.9 109 134 A G H X S+ 0 0 42 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.816 108.0 49.8 -81.4 -29.3 33.0 -18.5 16.1 110 135 A E H X S+ 0 0 98 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.892 109.7 50.4 -66.3 -49.6 34.3 -15.6 14.1 111 136 A I H X S+ 0 0 1 -4,-1.8 4,-3.1 2,-0.2 -2,-0.2 0.950 109.6 50.6 -54.2 -52.7 31.5 -15.8 11.7 112 137 A K H X S+ 0 0 71 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.899 107.9 54.9 -54.8 -43.3 29.0 -15.8 14.6 113 138 A G H X S+ 0 0 28 -4,-1.7 4,-0.7 1,-0.2 -1,-0.2 0.900 112.4 41.6 -56.4 -45.3 30.8 -12.7 15.9 114 139 A L H >< S+ 0 0 31 -4,-2.2 3,-0.7 -3,-0.2 4,-0.3 0.919 112.2 58.0 -63.1 -43.1 30.3 -10.9 12.6 115 140 A L H >X S+ 0 0 0 -4,-3.1 3,-1.2 1,-0.3 4,-0.5 0.852 102.2 50.1 -60.6 -42.6 26.7 -12.3 12.3 116 141 A I H 3X S+ 0 0 66 -4,-2.3 4,-0.7 1,-0.2 -1,-0.3 0.751 105.8 59.1 -71.3 -22.7 25.3 -10.8 15.6 117 142 A N H << S+ 0 0 78 -3,-0.7 -1,-0.2 -4,-0.7 -2,-0.2 0.490 86.4 81.6 -79.5 -5.9 26.7 -7.4 14.6 118 143 A I H <4 S+ 0 0 0 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.2 0.968 97.8 33.8 -64.4 -53.0 24.7 -7.2 11.4 119 144 A Y H < 0 0 37 -4,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.901 360.0 360.0 -80.9 -40.0 21.4 -6.1 12.8 120 145 A A < 0 0 77 -4,-0.7 -1,-0.3 -49,-0.0 -59,-0.1 -0.969 360.0 360.0-162.5 360.0 22.6 -3.9 15.6