==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 13-AUG-10 3OEO . COMPND 2 MOLECULE: SPHEROPLAST PROTEIN Y; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.KWON,D.Y.KIM,C.A.GROSS,J.D.GROSS,K.K.KIM . 364 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24860.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 271 74.5 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 . 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 . 14 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 205 56.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 2 2 5 3 1 0 1 0 1 0 1 2 0 0 0 0 0 0 0 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 53 A K 0 0 159 0, 0.0 85,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 78.9 -1.8 -27.6 16.3 2 54 A D + 0 0 103 2,-0.1 83,-0.0 1,-0.0 0, 0.0 -0.473 360.0 143.9-148.3 70.4 -2.0 -30.9 18.3 3 55 A L S S- 0 0 16 80,-0.0 82,-0.1 0, 0.0 83,-0.1 -0.006 74.5 -98.9-105.4 29.3 -2.3 -30.0 22.0 4 56 A N - 0 0 151 1,-0.1 2,-0.1 78,-0.0 -2,-0.1 0.965 57.6-167.2 45.9 62.3 -4.7 -32.8 23.1 5 57 A L - 0 0 55 1,-0.1 -1,-0.1 77,-0.0 73,-0.0 -0.311 13.9-110.0 -74.3 160.2 -7.7 -30.5 22.9 6 58 A T > - 0 0 72 1,-0.1 4,-1.1 -2,-0.1 3,-0.1 -0.196 28.9 -98.9 -86.7 177.8 -11.1 -31.4 24.4 7 59 A D T 4 S+ 0 0 154 1,-0.2 4,-0.1 2,-0.2 -1,-0.1 0.416 122.9 53.6 -77.5 0.5 -14.5 -32.2 22.8 8 60 A A T > S+ 0 0 52 2,-0.1 4,-1.2 3,-0.1 -1,-0.2 0.751 102.6 58.5 -96.4 -32.4 -15.6 -28.6 23.4 9 61 A Q H >> S+ 0 0 9 1,-0.2 4,-2.3 2,-0.2 3,-0.8 0.954 97.1 53.1 -66.7 -61.2 -12.6 -27.0 21.7 10 62 A K H 3X S+ 0 0 123 -4,-1.1 4,-1.4 1,-0.3 -1,-0.2 0.798 112.0 48.7 -44.5 -38.8 -12.7 -28.4 18.1 11 63 A Q H 3> S+ 0 0 121 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.809 107.0 53.4 -77.2 -32.8 -16.4 -27.2 17.7 12 64 A Q H X S+ 0 0 31 -4,-2.3 4,-2.8 1,-0.2 3,-0.6 0.874 102.3 62.6 -63.3 -39.6 -13.0 -23.6 16.4 14 66 A R H 3X S+ 0 0 148 -4,-1.4 4,-1.2 -5,-0.3 -1,-0.2 0.810 102.7 49.2 -54.7 -34.1 -15.7 -24.7 13.9 15 67 A E H 3< S+ 0 0 124 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.762 115.1 43.1 -79.6 -25.8 -17.7 -21.5 14.6 16 68 A I H XX S+ 0 0 26 -4,-0.8 4,-0.7 -3,-0.6 3,-0.5 0.784 109.9 53.9 -91.4 -33.8 -14.7 -19.2 14.1 17 69 A M H 3X S+ 0 0 45 -4,-2.8 4,-1.1 2,-0.3 -2,-0.2 0.861 107.0 52.7 -68.3 -36.3 -13.2 -20.9 11.0 18 70 A K H 3< S+ 0 0 129 -4,-1.2 5,-0.5 -5,-0.3 4,-0.3 0.483 110.8 49.1 -73.0 -5.8 -16.7 -20.5 9.4 19 71 A G H <4 S+ 0 0 29 -3,-0.5 5,-0.4 3,-0.1 -2,-0.3 0.551 108.5 53.3 -98.5 -18.0 -16.1 -16.9 10.5 20 72 A Q H < S+ 0 0 18 -4,-0.7 -2,-0.2 -3,-0.2 -3,-0.2 0.620 118.6 32.9 -89.2 -18.3 -12.6 -17.0 8.9 21 73 A R S < S+ 0 0 187 -4,-1.1 5,-0.2 -5,-0.1 -3,-0.1 0.870 118.8 32.1 -99.8 -71.3 -13.9 -18.2 5.5 22 74 A D S S+ 0 0 115 -4,-0.3 4,-0.2 1,-0.2 -3,-0.1 0.970 119.2 35.6 -60.9 -86.9 -17.4 -16.9 4.5 23 75 A Q S S+ 0 0 171 -5,-0.5 2,-1.9 1,-0.2 -1,-0.2 0.777 107.1 73.8 -41.3 -38.6 -18.2 -13.4 5.9 24 76 A M S S- 0 0 54 -5,-0.4 -1,-0.2 42,-0.0 -5,-0.0 -0.572 96.2-138.9 -77.4 77.8 -14.6 -12.5 5.3 25 77 A K + 0 0 186 -2,-1.9 -3,-0.1 1,-0.1 -2,-0.1 -0.143 28.8 177.0 -54.3 119.6 -15.0 -12.4 1.5 26 78 A R + 0 0 116 -5,-0.2 -1,-0.1 -4,-0.2 -4,-0.1 0.830 46.6 70.5 -93.8 -38.5 -12.1 -14.0 -0.3 27 79 A P - 0 0 103 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.782 41.2-174.2-106.9 118.7 -12.6 -14.0 -4.1 28 80 A P >> - 0 0 45 0, 0.0 4,-0.7 0, 0.0 3,-0.5 -0.915 24.1-152.8 -89.3 120.4 -12.6 -11.2 -6.7 29 81 A L T 34 S+ 0 0 166 -2,-0.6 4,-0.0 1,-0.2 0, 0.0 0.574 81.9 46.0 -77.6 -12.4 -13.7 -13.1 -9.8 30 82 A E T 3> S+ 0 0 105 2,-0.1 4,-1.2 1,-0.1 3,-0.3 0.585 98.8 65.9-105.9 -15.0 -12.1 -11.0 -12.6 31 83 A E H <> S+ 0 0 25 -3,-0.5 4,-2.4 2,-0.2 5,-0.2 0.816 90.7 63.6 -79.8 -32.8 -8.6 -10.5 -11.2 32 84 A R H X S+ 0 0 155 -4,-0.7 4,-0.7 1,-0.2 -1,-0.2 0.659 104.1 51.4 -63.6 -16.9 -7.6 -14.2 -11.4 33 85 A R H > S+ 0 0 127 -3,-0.3 4,-3.3 2,-0.1 -2,-0.2 0.878 105.5 55.4 -76.3 -48.3 -8.1 -13.6 -15.2 34 86 A A H X S+ 0 0 22 -4,-1.2 4,-2.5 2,-0.2 5,-0.3 0.926 105.5 49.5 -50.7 -55.6 -5.8 -10.6 -15.0 35 87 A M H X S+ 0 0 41 -4,-2.4 4,-2.1 1,-0.2 5,-0.3 0.925 113.7 48.2 -49.7 -48.6 -2.9 -12.5 -13.5 36 88 A H H X S+ 0 0 16 -4,-0.7 4,-3.4 -5,-0.2 -2,-0.2 0.958 109.4 53.4 -54.5 -52.0 -3.5 -15.1 -16.3 37 89 A D H < S+ 0 0 84 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.849 110.6 45.1 -54.0 -42.7 -3.6 -12.3 -18.9 38 90 A I H >< S+ 0 0 18 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.888 119.4 40.4 -72.0 -40.3 -0.2 -10.8 -17.8 39 91 A I H 3< S+ 0 0 16 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.860 110.3 58.8 -74.8 -37.6 1.6 -14.2 -17.6 40 92 A T T 3< S+ 0 0 19 -4,-3.4 2,-0.3 -5,-0.3 -1,-0.2 0.124 87.2 102.4 -82.9 20.5 -0.1 -15.6 -20.7 41 93 A S < - 0 0 28 -3,-0.7 219,-0.1 -5,-0.1 3,-0.1 -0.823 68.5-142.2-103.9 146.9 1.3 -12.7 -22.9 42 94 A D S S+ 0 0 102 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.679 94.1 53.6 -79.5 -19.3 4.3 -13.1 -25.2 43 95 A T S S- 0 0 102 2,-0.0 2,-0.4 -5,-0.0 -1,-0.2 -0.946 82.0-146.5-122.0 112.0 5.5 -9.6 -24.3 44 96 A F - 0 0 42 -2,-0.5 2,-0.4 -3,-0.1 -5,-0.1 -0.625 15.6-177.8 -84.7 129.2 5.9 -8.8 -20.6 45 97 A D >> - 0 0 79 -2,-0.4 4,-1.0 -7,-0.2 3,-0.7 -0.977 16.2-155.5-129.3 118.9 5.2 -5.3 -19.2 46 98 A K H >> S+ 0 0 94 -2,-0.4 4,-3.7 1,-0.2 3,-1.4 0.933 90.6 59.1 -59.6 -55.3 5.8 -4.6 -15.5 47 99 A V H 3> S+ 0 0 44 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.746 101.5 56.7 -45.9 -32.5 3.4 -1.6 -15.1 48 100 A K H <4 S+ 0 0 99 -3,-0.7 -1,-0.3 2,-0.2 -2,-0.2 0.899 118.0 33.9 -67.2 -39.3 0.5 -3.9 -16.2 49 101 A A H XX S+ 0 0 0 -3,-1.4 4,-2.5 -4,-1.0 3,-1.4 0.886 113.9 58.4 -79.1 -47.1 1.5 -6.3 -13.3 50 102 A E H 3X S+ 0 0 48 -4,-3.7 4,-1.0 1,-0.2 -3,-0.2 0.787 111.6 43.4 -46.6 -35.8 2.6 -3.5 -10.9 51 103 A A H 3< S+ 0 0 8 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.323 112.2 50.9-105.7 3.7 -0.9 -1.9 -11.2 52 104 A Q H X> S+ 0 0 12 -3,-1.4 3,-1.6 2,-0.1 4,-1.1 0.792 105.9 57.0 -93.4 -55.9 -2.8 -5.2 -10.9 53 105 A I H >< S+ 0 0 9 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.858 104.6 49.6 -30.5 -62.4 -0.9 -6.2 -7.7 54 106 A A G >< S+ 0 0 10 -4,-1.0 3,-0.5 1,-0.3 4,-0.4 0.581 101.1 61.6 -73.9 -11.8 -1.8 -3.1 -5.6 55 107 A K G <4 S+ 0 0 90 -3,-1.6 2,-0.7 1,-0.3 4,-0.5 0.738 100.4 60.1 -74.0 -26.6 -5.6 -3.5 -6.5 56 108 A M G << S+ 0 0 11 -3,-1.4 -1,-0.3 -4,-1.1 -2,-0.1 -0.431 85.5 81.3 -92.4 51.9 -5.0 -6.8 -4.7 57 109 A E S <> S+ 0 0 2 -2,-0.7 4,-2.9 -3,-0.5 5,-0.4 0.602 85.0 52.7-117.5 -46.0 -3.9 -4.8 -1.5 58 110 A E H > S+ 0 0 98 -3,-0.4 4,-1.7 -4,-0.4 -2,-0.1 0.901 117.1 41.9 -52.6 -44.6 -7.4 -4.1 -0.1 59 111 A Q H > S+ 0 0 42 -4,-0.5 4,-0.7 2,-0.2 -1,-0.2 0.885 119.1 41.0 -74.5 -42.9 -8.2 -7.8 -0.4 60 112 A R H > S+ 0 0 103 2,-0.2 4,-2.0 3,-0.1 -2,-0.2 0.802 116.0 50.1 -81.5 -28.8 -4.9 -9.2 0.9 61 113 A K H X S+ 0 0 37 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.959 110.2 48.4 -67.4 -56.5 -4.5 -6.7 3.7 62 114 A A H X S+ 0 0 57 -4,-1.7 4,-1.8 -5,-0.4 -2,-0.2 0.700 114.4 51.5 -58.1 -22.4 -8.1 -7.1 5.1 63 115 A N H X S+ 0 0 21 -4,-0.7 4,-3.0 2,-0.2 5,-0.4 0.971 104.9 48.9 -74.3 -72.7 -7.4 -10.9 4.9 64 116 A M H X S+ 0 0 60 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.848 117.4 48.7 -31.7 -49.3 -4.0 -11.1 6.8 65 117 A L H >X S+ 0 0 20 -4,-2.2 4,-1.6 2,-0.2 3,-1.4 0.992 111.7 43.8 -53.2 -78.0 -5.9 -9.0 9.4 66 118 A A H 3X S+ 0 0 3 -4,-1.8 4,-1.7 1,-0.3 -2,-0.2 0.765 111.9 55.6 -40.4 -41.6 -9.1 -11.0 9.7 67 119 A H H 3X S+ 0 0 60 -4,-3.0 4,-2.6 1,-0.2 -1,-0.3 0.913 105.3 52.0 -59.9 -45.0 -7.1 -14.2 9.8 68 120 A M H X S+ 0 0 19 -4,-2.2 3,-1.6 1,-0.2 4,-1.0 0.905 104.9 58.3 -64.8 -41.0 -8.7 -19.9 19.0 75 127 A Y H >< S+ 0 0 17 -4,-1.3 3,-0.8 1,-0.3 -2,-0.2 0.898 104.7 52.9 -50.1 -40.0 -5.6 -19.2 21.1 76 128 A N T 3< S+ 0 0 71 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.538 99.6 60.1 -79.6 -9.5 -8.1 -17.8 23.7 77 129 A I T <4 S+ 0 0 32 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.687 93.9 92.4 -83.6 -23.3 -10.2 -21.0 23.6 78 130 A L S << S- 0 0 24 -4,-1.0 -3,-0.0 -3,-0.8 -73,-0.0 0.121 75.7-120.3 -61.6 176.5 -7.1 -22.9 24.8 79 131 A T >> - 0 0 44 1,-0.0 4,-3.7 0, 0.0 3,-1.1 -0.841 30.2-103.6-115.5 158.3 -6.0 -23.6 28.4 80 132 A P H 3> S+ 0 0 105 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.829 124.3 49.3 -47.6 -39.9 -2.7 -22.6 30.1 81 133 A E H 3> S+ 0 0 137 2,-0.2 4,-0.9 1,-0.1 -3,-0.0 0.737 117.5 41.5 -74.3 -22.9 -1.3 -26.1 29.6 82 134 A Q H <> S+ 0 0 16 -3,-1.1 4,-1.9 2,-0.2 5,-0.2 0.879 109.8 54.6 -89.2 -46.4 -2.3 -26.1 26.0 83 135 A K H X S+ 0 0 43 -4,-3.7 4,-2.4 1,-0.2 5,-0.2 0.860 104.7 60.5 -51.1 -39.8 -1.3 -22.5 25.2 84 136 A K H X S+ 0 0 162 -4,-1.4 4,-1.6 -5,-0.3 -1,-0.2 0.971 105.6 43.1 -49.1 -63.5 2.1 -23.5 26.5 85 137 A Q H X S+ 0 0 96 -4,-0.9 4,-0.9 1,-0.2 -1,-0.2 0.817 113.2 52.6 -60.2 -36.7 2.7 -26.3 24.0 86 138 A F H >X S+ 0 0 38 -4,-1.9 3,-1.2 1,-0.2 4,-1.0 0.964 105.4 53.6 -64.0 -54.2 1.5 -24.2 21.0 87 139 A N H >< S+ 0 0 45 -4,-2.4 3,-0.7 1,-0.2 4,-0.3 0.879 107.4 52.6 -43.0 -49.2 3.8 -21.3 21.8 88 140 A A H >< S+ 0 0 66 -4,-1.6 3,-0.7 1,-0.2 -1,-0.2 0.685 99.1 60.7 -70.6 -23.2 6.8 -23.5 21.8 89 141 A N H << S+ 0 0 113 -3,-1.2 -1,-0.2 -4,-0.9 -2,-0.2 0.785 91.0 69.4 -77.3 -26.3 6.2 -25.2 18.4 90 142 A F T << 0 0 83 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.747 360.0 360.0 -53.6 -27.8 6.5 -21.8 16.6 91 143 A E < 0 0 176 -3,-0.7 -3,-0.0 -4,-0.3 -4,-0.0 -0.411 360.0 360.0 -74.0 360.0 10.2 -21.7 17.5 92 !* 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 93 53 B K 0 0 182 0, 0.0 85,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 -36.3 -2.9 28.1 -15.3 94 54 B D + 0 0 106 84,-0.0 3,-0.1 0, 0.0 2,-0.1 0.099 360.0 69.7-107.2-156.4 -2.6 31.1 -17.6 95 55 B L S S- 0 0 74 1,-0.2 79,-0.0 2,-0.1 0, 0.0 -0.312 94.9 -44.0 77.7-157.1 -3.1 32.5 -21.1 96 56 B N + 0 0 131 -2,-0.1 -1,-0.2 1,-0.0 6,-0.1 0.962 52.8 179.3 -73.1 -55.8 -6.3 33.2 -23.0 97 57 B L > - 0 0 21 4,-0.1 5,-1.3 -3,-0.1 4,-0.3 0.853 44.1-122.5 47.8 42.0 -8.3 30.0 -22.2 98 58 B T T 5 - 0 0 81 3,-0.2 4,-0.2 1,-0.2 0, 0.0 0.253 31.2 -84.8 20.2-144.7 -11.1 31.6 -24.3 99 59 B D T >5S+ 0 0 130 2,-0.1 4,-0.8 3,-0.1 -1,-0.2 0.541 129.8 53.7-118.1 -23.6 -14.5 32.0 -22.5 100 60 B A H >5S+ 0 0 62 2,-0.1 4,-1.8 1,-0.1 -2,-0.1 0.774 109.6 53.3 -73.2 -27.7 -15.8 28.5 -23.1 101 61 B Q H >5S+ 0 0 14 -4,-0.3 4,-1.9 2,-0.2 -3,-0.2 0.914 101.6 52.8 -77.8 -47.9 -12.5 27.2 -21.6 102 62 B K H >X S+ 0 0 28 -4,-1.9 4,-1.8 1,-0.2 3,-1.0 0.939 106.6 52.1 -48.6 -56.6 -12.5 23.7 -16.2 106 66 B R H 3X S+ 0 0 159 -4,-0.8 4,-2.8 1,-0.3 -1,-0.2 0.770 103.4 57.6 -58.0 -32.0 -14.7 24.6 -13.3 107 67 B E H 3< S+ 0 0 99 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.801 107.2 47.4 -73.6 -29.7 -17.5 22.2 -14.3 108 68 B I H S+ 0 0 17 -4,-1.2 4,-3.8 -3,-1.0 5,-1.2 0.846 113.9 49.0 -72.3 -37.0 -15.1 19.2 -14.1 109 69 B M H <>S+ 0 0 55 -4,-1.8 5,-2.5 1,-0.2 -2,-0.3 0.860 111.2 47.8 -69.9 -37.2 -14.0 20.7 -10.8 110 70 B K T <5S+ 0 0 178 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.558 121.0 43.2 -71.0 -10.2 -17.7 20.9 -9.8 111 71 B G T 45S- 0 0 37 -3,-0.3 -2,-0.2 -5,-0.2 -3,-0.2 0.882 134.8 -2.2-102.7 -57.0 -17.9 17.3 -11.1 112 72 B Q T X5S+ 0 0 50 -4,-3.8 4,-1.4 2,-0.1 -3,-0.2 0.707 127.2 56.1-115.7 -32.2 -15.0 15.2 -9.9 113 73 B R T 4 - 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0 0 66 -2,-0.1 4,-2.3 1,-0.0 3,-0.4 -0.833 33.8 -84.9-124.2 162.5 5.4 -23.0 -28.2 264 132 C P H > S+ 0 0 96 0, 0.0 4,-0.9 0, 0.0 -2,-0.0 0.718 120.7 41.3 -28.6 -56.8 1.9 -22.5 -29.9 265 133 C E H > S+ 0 0 128 2,-0.2 4,-0.8 1,-0.2 3,-0.4 0.910 116.5 45.8 -73.5 -43.8 0.3 -25.9 -29.0 266 134 C Q H > S+ 0 0 16 -3,-0.4 4,-1.6 1,-0.2 3,-0.4 0.810 110.3 56.7 -67.5 -29.3 1.5 -26.2 -25.4 267 135 C K H X S+ 0 0 30 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.787 102.3 57.1 -67.5 -28.1 0.5 -22.5 -24.9 268 136 C K H X S+ 0 0 167 -4,-0.9 4,-0.7 -3,-0.4 -1,-0.2 0.732 110.2 42.1 -75.8 -24.7 -3.0 -23.4 -26.0 269 137 C Q H X S+ 0 0 89 -4,-0.8 4,-0.7 -3,-0.4 -2,-0.2 0.736 108.6 55.9 -98.3 -27.3 -3.4 -26.1 -23.2 270 138 C F H X S+ 0 0 29 -4,-1.6 4,-1.1 2,-0.2 3,-0.3 0.887 111.9 45.9 -65.7 -42.1 -1.8 -24.2 -20.3 271 139 C N H X S+ 0 0 45 -4,-1.2 4,-0.7 1,-0.2 -2,-0.2 0.859 109.8 54.4 -66.3 -37.3 -4.3 -21.4 -21.0 272 140 C A H < S+ 0 0 61 -4,-0.7 -1,-0.2 3,-0.2 -2,-0.2 0.659 98.8 66.3 -71.8 -18.8 -7.2 -24.0 -21.3 273 141 C N H < S+ 0 0 117 -4,-0.7 -1,-0.2 -3,-0.3 -2,-0.2 0.977 105.6 37.8 -64.8 -58.4 -6.2 -25.3 -17.8 274 142 C F H < 0 0 108 -4,-1.1 -1,-0.2 1,-0.0 -2,-0.2 0.617 360.0 360.0 -69.4 -13.6 -7.2 -22.2 -15.9 275 143 C E < 0 0 157 -4,-0.7 -3,-0.2 -5,-0.1 -2,-0.2 0.650 360.0 360.0-112.8 360.0 -10.1 -21.9 -18.3 276 !* 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 0.0 277 53 D K 0 0 135 0, 0.0 2,-0.7 0, 0.0 85,-0.1 0.000 360.0 360.0 360.0 35.1 1.5 27.0 15.8 278 54 D D + 0 0 132 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.843 360.0 148.3 -92.3 116.3 1.8 30.5 17.2 279 55 D L - 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0 0 53 0, 0.0 -2,-0.0 0, 0.0 -3,-0.0 0.499 31.0-147.6 -94.6 -5.7 13.4 11.5 -7.0 305 81 D L S S+ 0 0 96 1,-0.2 4,-0.3 3,-0.0 0, 0.0 0.569 80.1 96.1 44.2 16.7 12.2 13.3 -10.2 306 82 D E S S+ 0 0 149 2,-0.1 4,-0.3 3,-0.1 -1,-0.2 0.613 93.8 38.9 -91.7 -22.3 12.6 10.0 -12.1 307 83 D E S >> S+ 0 0 20 2,-0.1 4,-1.0 1,-0.1 3,-1.0 0.754 99.3 76.8 -89.8 -33.3 8.8 9.6 -11.4 308 84 D R H >> S+ 0 0 157 1,-0.3 4,-1.0 2,-0.2 3,-0.6 0.839 88.2 61.0 -45.2 -42.3 8.1 13.3 -11.9 309 85 D R H 3> S+ 0 0 125 -4,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.889 98.4 55.4 -54.4 -46.7 8.3 12.8 -15.7 310 86 D A H <> S+ 0 0 14 -3,-1.0 4,-3.8 -4,-0.3 5,-0.3 0.830 97.4 66.7 -56.5 -35.7 5.4 10.3 -15.7 311 87 D M H + 0 0 94 -2,-0.4 4,-1.5 1,-0.2 5,-0.1 -0.658 20.8 174.1 -70.8 93.0 -4.0 5.5 -19.6 322 98 D K H >> S+ 0 0 96 -2,-1.5 4,-2.5 1,-0.2 3,-0.6 0.999 71.1 58.1 -69.2 -70.2 -5.6 4.7 -16.2 323 99 D V H 34 S+ 0 0 72 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.704 106.8 54.7 -25.2 -35.6 -3.8 1.4 -15.5 324 100 D K H >> S+ 0 0 78 2,-0.2 3,-2.3 1,-0.1 4,-0.9 0.972 108.9 41.8 -75.2 -56.4 -0.6 3.5 -15.9 325 101 D A H XX>S+ 0 0 0 -4,-1.5 4,-2.2 -3,-0.6 3,-1.9 0.949 106.7 66.5 -49.8 -49.6 -1.3 6.3 -13.3 326 102 D E H 3<5S+ 0 0 51 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.593 107.8 40.2 -44.2 -15.7 -2.6 3.4 -11.2 327 103 D A H <>5S+ 0 0 3 -3,-2.3 4,-0.7 -5,-0.3 -1,-0.3 0.573 109.5 57.4-108.7 -19.8 1.0 2.3 -11.1 328 104 D Q H < S+ 0 0 111 -4,-0.7 3,-0.6 -3,-0.3 4,-0.4 0.876 112.1 46.8 -71.5 -41.3 5.5 3.7 -7.1 332 108 D M H >X S+ 0 0 11 -4,-1.5 4,-1.8 1,-0.2 3,-1.1 0.865 86.1 88.2 -67.4 -40.0 5.2 6.6 -4.7 333 109 D E H 3X S+ 0 0 12 -4,-1.8 4,-2.0 1,-0.3 -1,-0.2 0.627 87.6 51.4 -41.7 -32.6 3.3 4.9 -1.9 334 110 D E H <> S+ 0 0 98 -3,-0.6 4,-1.9 -4,-0.3 -1,-0.3 0.946 112.0 44.3 -71.7 -50.6 6.5 3.7 -0.1 335 111 D Q H <> S+ 0 0 47 -3,-1.1 4,-3.2 -4,-0.4 5,-0.2 0.946 113.6 52.8 -55.4 -50.9 8.2 7.1 -0.0 336 112 D R H X S+ 0 0 48 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.938 107.7 49.6 -51.6 -60.6 4.9 8.8 1.0 337 113 D K H >X S+ 0 0 40 -4,-2.0 4,-2.9 1,-0.2 3,-0.5 0.935 117.5 39.7 -39.1 -66.7 4.4 6.4 4.0 338 114 D A H 3X S+ 0 0 50 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.827 114.5 54.1 -59.0 -36.8 7.9 6.9 5.4 339 115 D N H 3< S+ 0 0 17 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.799 112.5 43.1 -70.6 -31.4 7.9 10.6 4.5 340 116 D M H XX S+ 0 0 61 -4,-2.7 4,-2.6 -3,-0.5 3,-0.9 0.867 114.9 51.1 -73.6 -40.9 4.6 11.1 6.5 341 117 D L H 3X S+ 0 0 32 -4,-2.9 4,-1.4 -5,-0.3 -2,-0.2 0.878 111.5 46.7 -60.4 -41.5 6.1 8.8 9.2 342 118 D A H 3< S+ 0 0 36 -4,-2.8 4,-0.3 -5,-0.2 -1,-0.3 0.455 113.9 52.6 -80.2 -2.9 9.3 11.0 9.3 343 119 D H H X> S+ 0 0 94 -3,-0.9 4,-1.9 -5,-0.1 3,-1.2 0.896 106.7 45.2 -92.7 -65.2 7.0 14.0 9.4 344 120 D M H 3X S+ 0 0 7 -4,-2.6 4,-2.1 1,-0.3 5,-0.2 0.831 107.0 63.1 -45.9 -43.2 4.7 13.3 12.3 345 121 D E H 3X S+ 0 0 42 -4,-1.4 4,-1.2 -5,-0.3 -1,-0.3 0.900 106.8 42.0 -50.6 -47.0 7.8 12.2 14.3 346 122 D T H <> S+ 0 0 9 -3,-1.2 4,-2.4 -4,-0.3 -1,-0.2 0.832 109.1 58.8 -72.6 -32.5 9.2 15.7 14.1 347 123 D Q H X S+ 0 0 58 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.830 108.9 46.2 -62.6 -31.4 5.7 17.2 14.8 348 124 D N H X S+ 0 0 12 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.766 107.5 58.2 -76.0 -29.6 6.0 15.1 18.0 349 125 D K H X S+ 0 0 63 -4,-1.2 4,-1.0 -5,-0.2 -2,-0.2 0.906 109.3 42.5 -69.7 -42.1 9.5 16.5 18.6 350 126 D I H >X S+ 0 0 7 -4,-2.4 4,-1.6 1,-0.2 3,-0.7 0.948 110.1 59.0 -64.3 -49.4 8.4 20.1 18.6 351 127 D Y H 3< S+ 0 0 17 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.845 109.4 41.6 -47.8 -45.4 5.3 19.3 20.7 352 128 D N H 3< S+ 0 0 48 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.716 106.8 61.0 -81.5 -22.9 7.4 17.9 23.6 353 129 D I H << S+ 0 0 59 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.798 93.0 77.9 -76.5 -28.9 10.0 20.5 23.5 354 130 D L S < S- 0 0 5 -4,-1.6 5,-0.1 1,-0.1 -73,-0.0 -0.531 94.4-101.9 -75.9 150.0 7.4 23.2 24.3 355 131 D T > - 0 0 49 -2,-0.2 4,-2.9 1,-0.1 5,-0.1 -0.066 31.1-100.6 -70.3 169.6 6.2 23.5 27.9 356 132 D P H > S+ 0 0 98 0, 0.0 4,-3.9 0, 0.0 5,-0.2 0.856 125.7 51.0 -62.0 -37.6 2.9 22.1 29.3 357 133 D E H > S+ 0 0 143 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.920 114.8 45.1 -61.9 -40.9 1.3 25.6 29.2 358 134 D Q H > S+ 0 0 18 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.855 113.2 49.8 -66.4 -38.3 2.5 25.7 25.6 359 135 D K H X S+ 0 0 41 -4,-2.9 4,-3.5 2,-0.2 5,-0.3 0.957 110.6 49.3 -64.0 -49.6 1.2 22.1 25.1 360 136 D K H X S+ 0 0 158 -4,-3.9 4,-1.6 2,-0.2 -2,-0.2 0.890 113.4 48.3 -53.4 -42.1 -2.1 23.1 26.6 361 137 D Q H X S+ 0 0 60 -4,-2.3 4,-3.1 2,-0.2 3,-0.3 0.960 113.1 45.3 -63.6 -55.9 -2.1 26.1 24.2 362 138 D F H X S+ 0 0 31 -4,-3.2 4,-1.1 1,-0.2 -2,-0.2 0.930 119.4 43.4 -47.3 -51.3 -1.2 23.9 21.2 363 139 D N H < S+ 0 0 35 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.676 116.3 47.1 -75.4 -21.5 -3.8 21.4 22.3 364 140 D A H >< S+ 0 0 58 -4,-1.6 3,-1.0 -3,-0.3 -2,-0.2 0.828 105.6 57.5 -86.3 -37.7 -6.4 24.1 23.1 365 141 D N H 3< S+ 0 0 102 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.1 0.811 99.7 59.9 -62.2 -33.2 -6.0 26.1 19.9 366 142 D F T 3< 0 0 128 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.1 0.732 360.0 360.0 -66.1 -24.1 -6.9 23.0 17.8 367 143 D E < 0 0 156 -3,-1.0 -2,-0.2 -4,-0.2 -3,-0.1 0.765 360.0 360.0-105.3 360.0 -10.3 22.8 19.6