==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 20-JUL-01 1JMW . COMPND 2 MOLECULE: METHYL-ACCEPTING CHEMOTAXIS PROTEIN II; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR D.E.KOSHLAND JR.,E.W.YU . 146 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9109.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 84.2 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 . 7 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 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 35 A M > 0 0 163 0, 0.0 3,-3.5 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0-121.5 21.1 23.0 106.8 2 36 A N G > + 0 0 139 1,-0.3 3,-2.5 2,-0.2 4,-0.0 0.858 360.0 53.9 -33.6 -64.2 24.5 24.7 107.0 3 37 A Q G > S+ 0 0 131 1,-0.3 3,-0.7 2,-0.1 -1,-0.3 0.578 93.1 75.7 -53.3 -10.5 26.3 21.9 105.1 4 38 A Q G <> + 0 0 116 -3,-3.5 4,-0.7 1,-0.2 3,-0.4 0.420 69.5 86.9 -83.9 3.1 23.7 22.5 102.3 5 39 A G G <4 S+ 0 0 42 -3,-2.5 -1,-0.2 1,-0.2 4,-0.2 0.243 84.3 58.9 -84.3 14.8 25.6 25.6 101.4 6 40 A F T <> S+ 0 0 138 -3,-0.7 4,-1.6 2,-0.1 -1,-0.2 0.636 96.4 54.6-113.6 -24.9 27.8 23.4 99.2 7 41 A V H > S+ 0 0 81 -3,-0.4 4,-1.2 -4,-0.2 -2,-0.1 0.723 109.0 49.9 -82.5 -22.1 25.1 21.9 96.9 8 42 A I H X S+ 0 0 68 -4,-0.7 4,-2.1 2,-0.2 5,-0.2 0.866 110.3 49.5 -81.0 -39.1 23.9 25.3 95.8 9 43 A S H > S+ 0 0 79 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.960 111.9 48.1 -62.9 -52.5 27.4 26.6 95.0 10 44 A N H X S+ 0 0 106 -4,-1.6 4,-2.8 1,-0.2 -1,-0.2 0.873 111.4 51.1 -57.0 -41.8 28.2 23.6 92.9 11 45 A E H X S+ 0 0 16 -4,-1.2 4,-3.0 2,-0.2 5,-0.3 0.899 107.9 50.7 -64.7 -42.8 24.9 23.8 91.0 12 46 A L H X S+ 0 0 24 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.921 113.2 48.7 -60.0 -41.1 25.5 27.5 90.2 13 47 A R H X S+ 0 0 138 -4,-2.2 4,-4.1 2,-0.2 5,-0.2 0.967 115.0 41.7 -60.7 -57.4 28.9 26.5 88.9 14 48 A Q H X S+ 0 0 86 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.866 114.6 50.8 -60.7 -41.9 27.8 23.6 86.8 15 49 A Q H X S+ 0 0 9 -4,-3.0 4,-1.1 -5,-0.2 -1,-0.2 0.924 118.2 39.6 -63.9 -43.5 24.7 25.4 85.4 16 50 A Q H >X S+ 0 0 37 -4,-2.2 4,-2.1 -5,-0.3 3,-0.8 0.943 112.0 54.4 -71.5 -47.8 26.9 28.4 84.5 17 51 A S H 3X S+ 0 0 41 -4,-4.1 4,-1.8 1,-0.3 -1,-0.2 0.877 106.6 55.5 -52.4 -37.9 29.8 26.3 83.3 18 52 A E H 3X S+ 0 0 13 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.3 0.841 106.3 50.0 -63.8 -35.3 27.3 24.6 81.0 19 53 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.3 3,-2.3 0.982 112.7 38.6 -62.2 -55.4 27.3 27.9 69.1 27 61 A L H 3X S+ 0 0 54 -4,-2.5 4,-1.0 1,-0.3 -1,-0.3 0.637 113.5 61.2 -67.7 -10.9 29.7 30.6 68.0 28 62 A Q H 3< S+ 0 0 90 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.367 106.2 44.3 -92.7 -1.3 31.8 27.5 67.2 29 63 A T H <> S+ 0 0 0 -3,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.702 106.3 60.6-105.9 -41.2 29.2 26.4 64.7 30 64 A R H X S+ 0 0 64 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.861 107.6 43.9 -55.0 -42.9 28.7 29.8 63.2 31 65 A I H X S+ 0 0 73 -4,-1.0 4,-3.7 2,-0.2 5,-0.3 0.861 111.2 53.5 -73.7 -35.1 32.3 30.0 62.0 32 66 A N H > S+ 0 0 22 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.896 112.6 45.3 -64.7 -39.7 32.3 26.4 60.7 33 67 A L H X S+ 0 0 0 -4,-2.4 4,-3.6 2,-0.2 5,-0.3 0.967 115.1 47.5 -64.6 -53.4 29.3 27.3 58.7 34 68 A A H X S+ 0 0 39 -4,-2.4 4,-2.4 1,-0.3 -2,-0.2 0.924 115.4 43.9 -51.1 -52.4 30.8 30.6 57.6 35 69 A R H X S+ 0 0 113 -4,-3.7 4,-1.1 1,-0.2 -1,-0.3 0.733 115.3 53.9 -66.5 -23.1 34.1 28.8 56.7 36 70 A S H X S+ 0 0 9 -4,-1.1 4,-1.2 -5,-0.3 -2,-0.2 0.960 111.0 40.0 -76.4 -55.1 31.9 26.2 55.1 37 71 A A H X S+ 0 0 1 -4,-3.6 4,-1.5 2,-0.2 -2,-0.2 0.853 107.2 66.1 -63.4 -35.4 29.8 28.5 52.8 38 72 A A H >< S+ 0 0 53 -4,-2.4 3,-1.8 -5,-0.3 -1,-0.2 0.972 108.8 36.7 -48.0 -63.9 32.9 30.5 52.0 39 73 A R H 3< S+ 0 0 142 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.719 111.7 62.1 -61.0 -23.3 34.5 27.6 50.1 40 74 A M H 3< S+ 0 0 41 -4,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.715 91.1 90.3 -74.8 -21.0 31.0 26.6 48.9 41 75 A M S << S- 0 0 92 -3,-1.8 2,-0.7 -4,-1.5 -3,-0.0 -0.069 108.7 -49.3 -66.8 175.4 31.0 30.0 47.1 42 76 A M S S+ 0 0 197 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.292 104.4 91.7 -54.3 99.3 32.3 30.3 43.6 43 77 A D - 0 0 88 -2,-0.7 -4,-0.0 -3,-0.2 -5,-0.0 -0.929 57.5-139.8-168.6-172.6 35.6 28.6 43.9 44 78 A A + 0 0 66 -2,-0.3 2,-0.3 3,-0.0 -1,-0.1 0.318 50.3 111.7-127.4-102.3 37.4 25.2 43.5 45 79 A S S S+ 0 0 116 1,-0.1 2,-2.1 2,-0.1 -2,-0.0 -0.383 87.0 37.0 58.8-115.8 40.1 23.8 45.7 46 80 A N S S- 0 0 102 -2,-0.3 2,-2.3 1,-0.1 -1,-0.1 -0.457 72.3-175.4 -69.2 82.9 38.6 20.8 47.5 47 81 A Q + 0 0 166 -2,-2.1 2,-0.3 3,-0.1 -1,-0.1 -0.325 39.0 125.4 -78.6 57.5 36.5 19.5 44.6 48 82 A Q > - 0 0 120 -2,-2.3 3,-0.5 0, 0.0 4,-0.3 -0.863 66.0 -18.2-119.1 153.2 35.0 16.8 46.8 49 83 A S T 3 S- 0 0 86 -2,-0.3 4,-0.1 1,-0.2 0, 0.0 -0.306 87.5 -88.6 57.4-131.0 31.4 15.9 47.5 50 84 A S T 3 S- 0 0 108 2,-0.1 -1,-0.2 58,-0.0 -3,-0.1 -0.179 91.2 -29.5-177.5 66.6 29.0 18.8 46.7 51 85 A A S < S+ 0 0 26 -3,-0.5 59,-0.2 -15,-0.1 -2,-0.1 0.882 117.0 85.3 82.6 44.4 28.5 21.2 49.6 52 86 A K + 0 0 85 -4,-0.3 2,-0.2 57,-0.1 -2,-0.1 -0.359 52.4 88.8-176.7 90.2 29.0 18.7 52.5 53 87 A T S >> S- 0 0 62 -4,-0.1 4,-2.4 -2,-0.1 3,-1.3 -0.881 81.3 -14.5-162.5-169.7 32.3 17.7 54.2 54 88 A D H 3> S+ 0 0 97 1,-0.3 4,-2.8 -2,-0.2 5,-0.2 0.506 131.4 33.8 -0.2 -92.4 34.8 18.6 56.9 55 89 A L H 3> S+ 0 0 14 1,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.851 123.1 45.2 -45.5 -50.0 33.8 22.1 57.8 56 90 A L H <> S+ 0 0 1 -3,-1.3 4,-1.1 1,-0.2 3,-0.3 0.918 116.0 49.5 -62.8 -40.6 30.0 21.6 57.2 57 91 A Q H X S+ 0 0 75 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.856 105.5 56.2 -66.6 -36.2 30.4 18.3 59.1 58 92 A N H X S+ 0 0 65 -4,-2.8 4,-2.9 -5,-0.3 -1,-0.2 0.804 104.3 52.4 -67.0 -29.6 32.2 20.0 62.0 59 93 A A H X S+ 0 0 0 -4,-1.4 4,-2.1 -3,-0.3 5,-0.2 0.806 104.8 56.3 -75.3 -30.4 29.3 22.5 62.5 60 94 A K H X S+ 0 0 74 -4,-1.1 4,-0.7 2,-0.2 -1,-0.2 0.796 113.2 43.0 -69.1 -27.4 26.9 19.6 62.7 61 95 A T H X S+ 0 0 68 -4,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.926 112.5 49.2 -83.4 -49.4 29.1 18.3 65.5 62 96 A T H X S+ 0 0 14 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.918 112.0 48.5 -57.8 -46.8 29.7 21.6 67.4 63 97 A L H X S+ 0 0 9 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.860 111.6 50.7 -62.3 -35.5 26.0 22.5 67.5 64 98 A A H X S+ 0 0 58 -4,-0.7 4,-1.8 -5,-0.2 -1,-0.2 0.835 111.1 49.5 -69.2 -33.5 25.2 18.9 68.7 65 99 A Q H X S+ 0 0 89 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.895 111.5 47.5 -71.6 -42.1 27.8 19.4 71.4 66 100 A A H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.930 111.3 52.0 -63.7 -47.2 26.4 22.7 72.4 67 101 A A H X S+ 0 0 27 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.868 108.9 49.0 -58.1 -41.9 22.9 21.2 72.5 68 102 A A H X S+ 0 0 57 -4,-1.8 4,-1.1 2,-0.2 -1,-0.2 0.885 111.8 49.9 -65.7 -40.8 23.9 18.3 74.7 69 103 A H H >X S+ 0 0 54 -4,-1.9 4,-1.2 1,-0.2 3,-0.8 0.969 114.0 46.7 -59.3 -51.4 25.6 20.8 77.0 70 104 A Y H 3X S+ 0 0 10 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.825 101.2 63.0 -58.8 -41.7 22.3 22.8 77.0 71 105 A A H 3X S+ 0 0 54 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.803 102.2 53.5 -55.6 -32.7 20.0 19.8 77.6 72 106 A N H > - 0 0 51 1,-0.0 4,-1.3 0, 0.0 3,-0.6 -0.933 30.4-103.0-143.3 162.2 16.1 28.0 91.5 80 114 A P T 34 S+ 0 0 134 0, 0.0 4,-0.2 0, 0.0 -1,-0.0 0.613 126.6 48.2 -63.6 -8.8 13.4 30.5 92.4 81 115 A A T 34 S+ 0 0 54 2,-0.1 4,-0.3 1,-0.1 3,-0.1 0.682 115.7 40.2-100.1 -26.5 16.2 33.1 92.1 82 116 A M T <> S+ 0 0 3 -3,-0.6 4,-1.6 1,-0.1 5,-0.2 0.409 90.8 104.5-100.1 -0.6 17.5 31.9 88.8 83 117 A A H X S+ 0 0 48 -4,-1.3 4,-1.9 2,-0.2 5,-0.2 0.897 83.2 32.0 -42.9 -68.1 14.0 31.4 87.6 84 118 A E H > S+ 0 0 176 -4,-0.2 4,-2.3 1,-0.2 5,-0.2 0.968 117.0 52.6 -62.1 -59.6 13.5 34.4 85.3 85 119 A A H > S+ 0 0 15 -4,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.772 111.9 53.6 -48.4 -28.2 17.0 34.7 84.0 86 120 A S H X S+ 0 0 9 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.955 105.7 45.2 -73.6 -57.9 16.7 31.0 83.1 87 121 A A H X S+ 0 0 56 -4,-1.9 4,-3.3 1,-0.2 -2,-0.2 0.858 112.6 57.5 -56.2 -34.9 13.6 30.9 81.0 88 122 A N H X S+ 0 0 52 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.938 108.4 42.3 -62.3 -49.3 15.0 34.0 79.3 89 123 A V H X S+ 0 0 1 -4,-1.4 4,-2.8 2,-0.2 5,-0.2 0.896 115.8 50.6 -65.1 -40.7 18.2 32.2 78.2 90 124 A D H X S+ 0 0 48 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.974 109.6 51.9 -57.5 -52.4 16.2 29.1 77.3 91 125 A E H X S+ 0 0 118 -4,-3.3 4,-0.9 1,-0.2 -2,-0.2 0.839 115.0 40.7 -51.3 -42.6 13.9 31.4 75.2 92 126 A K H X S+ 0 0 42 -4,-2.1 4,-2.1 2,-0.2 35,-0.3 0.834 112.4 54.0 -79.4 -33.5 16.8 33.0 73.4 93 127 A Y H X S+ 0 0 15 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.877 101.3 62.1 -66.9 -37.6 18.7 29.7 72.9 94 128 A Q H X S+ 0 0 96 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.916 109.8 39.6 -50.2 -50.1 15.6 28.2 71.4 95 129 A R H X S+ 0 0 110 -4,-0.9 4,-2.8 2,-0.2 -2,-0.2 0.932 117.8 44.8 -67.8 -53.2 15.7 30.7 68.5 96 130 A Y H X S+ 0 0 0 -4,-2.1 4,-2.1 27,-0.3 -2,-0.2 0.796 114.0 51.1 -66.5 -30.8 19.5 30.8 67.9 97 131 A Q H X S+ 0 0 55 -4,-2.9 4,-2.6 -5,-0.2 -1,-0.2 0.935 112.2 46.1 -70.4 -46.2 19.7 27.0 68.1 98 132 A A H X S+ 0 0 35 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.923 111.0 56.4 -58.1 -44.8 16.9 26.7 65.5 99 133 A A H X S+ 0 0 2 -4,-2.8 4,-2.4 1,-0.2 3,-0.2 0.943 110.5 39.9 -52.0 -59.0 18.6 29.3 63.5 100 134 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.894 110.4 60.2 -61.0 -41.4 21.9 27.5 63.2 101 135 A A H X S+ 0 0 37 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.916 110.1 42.5 -51.1 -45.8 20.1 24.2 62.7 102 136 A E H X S+ 0 0 91 -4,-2.3 4,-2.6 2,-0.2 3,-0.3 0.888 106.2 59.3 -69.9 -42.4 18.5 25.7 59.6 103 137 A L H X S+ 0 0 5 -4,-2.4 4,-2.1 1,-0.3 5,-0.3 0.897 106.1 53.0 -52.3 -37.8 21.7 27.3 58.4 104 138 A I H X S+ 0 0 10 -4,-2.3 4,-1.7 1,-0.2 -1,-0.3 0.855 105.8 51.7 -65.1 -38.3 22.9 23.7 58.4 105 139 A Q H X S+ 0 0 86 -4,-1.1 4,-2.4 -3,-0.3 6,-0.3 0.953 111.8 47.4 -62.6 -50.5 19.9 22.6 56.3 106 140 A F H >X>S+ 0 0 30 -4,-2.6 4,-2.5 2,-0.2 5,-1.8 0.984 113.1 43.9 -54.7 -71.5 20.6 25.3 53.7 107 141 A L H 3<5S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.857 112.4 60.1 -41.3 -39.9 24.3 24.7 53.3 108 142 A D H 3<5S+ 0 0 47 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.941 118.1 25.1 -52.8 -56.7 23.3 21.0 53.3 109 143 A N H <<5S- 0 0 111 -4,-2.4 -1,-0.2 -3,-0.6 -2,-0.2 0.474 120.5 -99.7 -90.8 -4.7 21.1 21.3 50.2 110 144 A G T <5 + 0 0 32 -4,-2.5 2,-2.1 -5,-0.2 3,-0.3 0.575 63.7 158.7 97.1 11.5 22.9 24.3 48.7 111 145 A N >< + 0 0 46 -5,-1.8 4,-2.1 -6,-0.3 -4,-0.2 -0.481 6.1 157.8 -70.1 82.8 20.4 27.0 49.9 112 146 A M H > S+ 0 0 43 -2,-2.1 4,-3.1 2,-0.2 5,-0.2 0.919 70.4 49.5 -75.9 -44.9 22.9 29.8 49.7 113 147 A D H > S+ 0 0 130 -3,-0.3 4,-1.3 2,-0.2 5,-0.2 0.964 116.5 42.5 -56.8 -53.8 20.3 32.6 49.4 114 148 A A H >> S+ 0 0 35 2,-0.2 4,-1.8 1,-0.2 3,-0.7 0.943 113.5 52.4 -57.7 -50.8 18.4 31.2 52.4 115 149 A Y H 3< S+ 0 0 25 -4,-2.1 3,-0.3 1,-0.3 -2,-0.2 0.941 118.4 36.7 -50.2 -52.8 21.7 30.6 54.3 116 150 A F H 3< S+ 0 0 110 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.549 111.6 62.8 -78.5 -9.5 22.7 34.2 53.7 117 151 A A H << S+ 0 0 63 -4,-1.3 -1,-0.2 -3,-0.7 -2,-0.2 0.787 78.1 103.3 -84.8 -30.4 19.2 35.6 54.0 118 152 A Q S < S- 0 0 28 -4,-1.8 2,-1.7 -3,-0.3 3,-0.3 -0.297 73.9-132.3 -59.1 131.3 18.7 34.5 57.7 119 153 A P > + 0 0 98 0, 0.0 4,-0.7 0, 0.0 -1,-0.1 -0.482 50.0 150.4 -83.4 64.0 19.0 37.4 60.3 120 154 A T H >> + 0 0 11 -2,-1.7 4,-2.6 1,-0.2 3,-0.7 0.856 53.3 66.9 -67.9 -44.2 21.4 35.4 62.5 121 155 A Q H 3> S+ 0 0 91 -3,-0.3 4,-3.0 1,-0.3 -1,-0.2 0.900 103.9 46.2 -46.0 -52.0 23.5 38.1 64.1 122 156 A G H 3> S+ 0 0 41 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.775 109.0 55.6 -64.0 -29.0 20.5 39.4 66.1 123 157 A M H < S+ 0 0 9 -4,-2.6 3,-1.0 2,-0.2 -2,-0.2 0.980 112.3 42.0 -64.3 -61.0 24.2 34.1 88.8 139 173 A E H 3< S+ 0 0 153 -4,-2.7 4,-0.2 1,-0.3 -1,-0.2 0.864 117.4 51.5 -54.2 -36.6 27.5 35.6 89.9 140 174 A N H >< S+ 0 0 57 -4,-1.3 2,-2.7 -5,-0.3 3,-1.6 0.715 83.6 90.0 -74.1 -22.5 25.4 37.9 92.1 141 175 A L T << S+ 0 0 39 -4,-1.2 -1,-0.2 -3,-1.0 -2,-0.1 -0.118 95.3 38.7 -71.4 45.8 23.6 35.0 93.7 142 176 A Y T > S+ 0 0 146 -2,-2.7 3,-2.0 -3,-0.1 -1,-0.3 0.274 81.7 97.1-164.0 -19.0 26.3 34.8 96.4 143 177 A R T < S+ 0 0 152 -3,-1.6 -2,-0.1 1,-0.3 -3,-0.1 0.180 90.6 49.8 -70.2 22.0 27.1 38.5 97.1 144 178 A Q T 3 S+ 0 0 172 1,-0.1 2,-0.5 -4,-0.1 -1,-0.3 0.130 84.6 92.2-144.1 17.1 24.7 38.2 100.1 145 179 A T < 0 0 95 -3,-2.0 -1,-0.1 1,-0.1 -4,-0.0 -0.722 360.0 360.0-119.0 80.8 25.9 35.0 101.8 146 180 A F 0 0 186 -2,-0.5 -1,-0.1 -3,-0.1 -3,-0.0 0.590 360.0 360.0-132.8 360.0 28.5 36.0 104.4