==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 23-JUL-08 3DWW . COMPND 2 MOLECULE: PROSTAGLANDIN E SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.HEBERT,C.JEGERSCHOLD . 426 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20301.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 333 78.2 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 . 8 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 248 58.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 4.0 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 2 0 0 0 2 1 0 1 0 2 1 2 1 1 0 1 0 1 1 0 1 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 11 A P > 0 0 108 0, 0.0 4,-1.1 0, 0.0 84,-0.1 0.000 360.0 360.0 360.0 -29.0 82.1 -33.3 -17.3 2 12 A A H >> + 0 0 29 2,-0.2 3,-1.0 1,-0.1 4,-0.7 0.978 360.0 41.6 -68.4 -88.5 79.5 -31.8 -15.0 3 13 A L H >> S+ 0 0 68 1,-0.3 4,-0.9 2,-0.2 3,-0.7 0.713 114.5 54.5 -34.9 -40.3 77.5 -34.6 -13.3 4 14 A P H >> S+ 0 0 32 0, 0.0 3,-1.8 0, 0.0 4,-0.8 0.971 96.7 59.9 -67.6 -48.1 80.5 -36.7 -12.7 5 15 A A H << S+ 0 0 1 -4,-1.1 -2,-0.2 -3,-1.0 -3,-0.1 0.698 110.7 49.6 -47.4 -16.9 82.6 -34.1 -10.9 6 16 A F H XX S+ 0 0 14 -4,-0.7 3,-0.8 -3,-0.7 4,-0.8 0.682 90.2 75.8 -94.6 -26.6 79.6 -34.3 -8.4 7 17 A L H XX S+ 0 0 23 -3,-1.8 3,-2.5 -4,-0.9 4,-0.8 0.966 97.5 46.6 -51.4 -57.3 79.4 -38.0 -8.0 8 18 A L H 3X S+ 0 0 68 -4,-0.8 4,-2.6 1,-0.3 5,-0.4 0.614 96.1 74.3 -67.5 -14.0 82.4 -38.2 -5.7 9 19 A C H <> S+ 0 0 3 -3,-0.8 4,-0.7 2,-0.2 -1,-0.3 0.795 101.5 44.7 -67.8 -28.2 81.1 -35.2 -3.7 10 20 A S H S+ 0 0 24 -4,-1.8 5,-2.3 3,-0.2 6,-0.5 0.961 109.3 43.5 -64.7 -64.3 79.9 -38.8 3.4 15 25 A I H X>S+ 0 0 92 -4,-1.6 5,-1.5 3,-0.2 4,-0.8 0.951 116.7 49.2 -37.1 -67.8 83.1 -40.4 4.7 16 26 A K H <5S+ 0 0 9 -4,-2.6 -1,-0.2 3,-0.2 -2,-0.2 0.886 131.7 12.9 -40.8 -62.0 84.3 -37.0 5.7 17 27 A M T >X5S+ 0 0 7 -4,-2.5 4,-1.2 48,-0.1 3,-1.2 0.866 134.6 28.6 -83.3 -87.3 81.0 -36.1 7.5 18 28 A Y H 3>5S+ 0 0 9 -5,-0.4 4,-1.3 1,-0.3 -3,-0.2 0.515 119.3 50.0 -70.1 -7.2 78.7 -39.0 8.2 19 29 A V H 3X S- 0 0 57 1,-0.1 3,-1.5 2,-0.0 -1,-0.2 0.518 94.7-161.5 72.6 24.9 76.5 -42.6 34.0 36 46 A N T 3 - 0 0 5 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.027 52.5 -27.6 -44.5 145.5 79.6 -40.8 35.3 37 47 A P T 3 S- 0 0 113 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 0.575 129.3 -50.0 -5.8 55.0 80.2 -40.8 39.1 38 48 A E S < S+ 0 0 179 -3,-1.5 2,-0.3 1,-0.1 -2,-0.2 0.884 99.3 145.7 57.7 106.6 76.4 -41.2 39.3 39 49 A D - 0 0 61 -4,-0.1 2,-0.4 0, 0.0 -1,-0.1 -0.971 59.2-123.0-151.1 160.1 74.9 -38.4 37.1 40 50 A A - 0 0 35 -2,-0.3 357,-0.0 1,-0.2 356,-0.0 -0.816 65.1-104.9 -87.6 150.1 72.2 -37.4 34.8 41 51 A L S S+ 0 0 3 -2,-0.4 -1,-0.2 -7,-0.0 2,-0.1 0.136 77.4 85.9 -78.5-160.3 74.4 -36.5 31.9 42 52 A R + 0 0 55 1,-0.1 -2,-0.1 -3,-0.1 357,-0.0 -0.143 56.8 86.1 75.9 170.2 75.6 -33.2 30.4 43 53 A H - 0 0 90 1,-0.1 2,-0.8 -2,-0.1 -1,-0.1 0.921 64.0-147.2 60.9 100.7 78.7 -31.4 31.8 44 54 A G + 0 0 46 1,-0.2 -1,-0.1 7,-0.1 -3,-0.0 -0.802 66.3 66.0-101.4 97.2 81.8 -32.8 30.1 45 55 A G + 0 0 49 -2,-0.8 -1,-0.2 10,-0.0 3,-0.1 0.368 43.6 119.1 156.1 55.4 84.8 -32.9 32.5 46 56 A P S S+ 0 0 65 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.886 90.1 14.1 -90.8 -67.2 84.8 -35.1 35.6 47 57 A Q S >>S- 0 0 126 1,-0.2 4,-0.9 0, 0.0 5,-0.7 -0.691 78.3-124.8 -94.7 158.5 87.9 -37.3 34.8 48 58 A Y H >5S+ 0 0 169 -2,-0.3 4,-1.9 3,-0.2 -1,-0.2 0.996 108.8 56.6 -58.9 -62.1 90.3 -36.3 32.0 49 59 A C H 45S+ 0 0 70 1,-0.2 5,-0.3 2,-0.2 -1,-0.1 0.821 104.7 48.6 -32.5 -73.7 89.7 -39.8 30.4 50 60 A R H 45S- 0 0 21 1,-0.2 4,-0.2 2,-0.1 -1,-0.2 0.860 134.9 -5.3 -34.1 -79.9 86.0 -39.6 30.0 51 61 A S H X>S+ 0 0 0 -4,-0.9 4,-3.5 3,-0.2 5,-0.6 0.730 107.3 85.5-102.6 -31.8 85.5 -36.2 28.4 52 62 A D H X5S+ 0 0 41 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.656 130.8 50.4 -87.8 -12.9 90.0 -35.6 24.8 54 64 A D H >5S+ 0 0 33 -5,-0.3 4,-4.1 -4,-0.2 5,-0.4 0.925 102.7 54.0 -88.9 -53.2 86.6 -36.8 23.7 55 65 A V H X5S+ 0 0 49 -4,-3.5 4,-1.5 2,-0.2 5,-0.2 0.819 115.2 44.1 -57.0 -36.2 84.4 -33.7 24.3 56 66 A E H XS+ 0 0 11 -4,-1.1 4,-1.2 1,-0.3 5,-0.7 0.896 112.8 48.3 -55.1 -59.8 78.2 -26.4 3.5 71 81 A P H 4>S+ 0 0 8 0, 0.0 5,-0.6 0, 0.0 4,-0.3 0.821 119.5 42.4 -40.0 -41.7 80.6 -23.9 1.6 72 82 A F H <5S+ 0 0 6 -4,-1.9 -2,-0.2 -3,-0.5 5,-0.2 0.691 119.0 46.0 -84.1 -21.4 81.6 -27.0 -0.5 73 83 A L H X5S+ 0 0 14 -4,-2.1 4,-3.9 -3,-0.5 -3,-0.2 0.898 123.0 23.4 -78.5 -83.5 78.0 -28.2 -0.8 74 84 A F H X5S+ 0 0 16 -4,-1.2 4,-3.1 2,-0.2 5,-0.3 0.815 119.3 54.7 -58.4 -46.4 75.9 -25.3 -1.8 75 85 A L H 4> - 0 0 84 1,-0.1 4,-1.3 -84,-0.1 -2,-0.0 -0.709 22.4-134.3-108.3 148.4 83.5 -26.9 -15.9 86 96 A P H >> S+ 0 0 33 0, 0.0 3,-2.5 0, 0.0 4,-0.7 0.917 94.3 36.0 -53.7-111.0 85.5 -30.1 -15.3 87 97 A F H 3> S+ 0 0 165 1,-0.3 4,-1.9 2,-0.2 -2,-0.0 0.628 116.2 60.1 -15.7 -57.4 89.1 -29.7 -14.0 88 98 A V H 3> S+ 0 0 37 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.869 107.1 42.4 -38.9 -59.2 87.8 -26.7 -12.0 89 99 A A H XX S+ 0 0 3 -3,-2.5 3,-2.1 -4,-1.3 4,-1.0 0.959 110.0 56.7 -58.2 -54.9 85.3 -28.7 -10.0 90 100 A W H 3X S+ 0 0 101 -4,-0.7 4,-0.8 1,-0.3 3,-0.3 0.780 100.5 57.7 -49.9 -40.8 87.7 -31.7 -9.4 91 101 A M H 3X S+ 0 0 112 -4,-1.9 4,-1.9 1,-0.2 -1,-0.3 0.652 100.0 59.0 -66.9 -21.5 90.4 -29.5 -7.7 92 102 A H H S+ 0 0 3 -4,-0.4 4,-1.5 -5,-0.3 -2,-0.3 0.927 116.6 40.4 -70.6 -50.6 92.7 -29.9 9.1 104 114 A T H < S+ 0 0 3 -4,-4.3 4,-0.4 1,-0.2 -2,-0.2 0.957 117.5 46.0 -64.1 -54.0 90.5 -32.4 11.0 105 115 A V H >X S+ 0 0 93 -4,-3.4 4,-1.6 1,-0.2 3,-0.9 0.862 111.2 50.6 -64.5 -37.7 93.1 -35.0 11.8 106 116 A A H 3< S+ 0 0 28 -4,-0.8 4,-0.3 -5,-0.3 -1,-0.2 0.909 111.5 50.2 -65.6 -38.9 95.8 -32.5 13.0 107 117 A Y T 3< S+ 0 0 5 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.412 108.4 52.9 -81.1 -1.5 93.2 -30.9 15.3 108 118 A L T <4 S+ 0 0 35 -3,-0.9 -2,-0.2 -4,-0.4 -1,-0.2 0.865 113.3 36.1 -96.6 -50.4 92.0 -34.2 16.8 109 119 A G S < S+ 0 0 40 -4,-1.6 -3,-0.1 -52,-0.0 -2,-0.1 0.961 111.1 50.4 -64.2 -93.4 95.3 -35.7 18.0 110 120 A K S S- 0 0 156 -4,-0.3 5,-0.0 -5,-0.2 0, 0.0 -0.288 83.1-142.0 -49.1 129.7 97.6 -33.0 19.2 111 121 A L + 0 0 54 4,-0.0 -1,-0.2 2,-0.0 2,-0.2 0.769 66.5 105.4 -70.2 -28.8 95.3 -31.1 21.7 112 122 A R > - 0 0 126 1,-0.1 3,-1.2 3,-0.0 4,-0.3 -0.344 62.3-148.2 -71.9 127.2 96.5 -27.7 20.8 113 123 A A G > S+ 0 0 0 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.777 93.4 70.7 -63.1 -32.5 94.3 -25.4 18.7 114 124 A P G > S+ 0 0 58 0, 0.0 3,-2.2 0, 0.0 -1,-0.3 0.832 86.0 68.3 -53.7 -33.4 97.3 -23.7 17.0 115 125 A I G X S+ 0 0 48 -3,-1.2 3,-0.8 1,-0.3 4,-0.4 0.818 84.2 70.2 -53.9 -31.2 97.9 -27.0 15.2 116 126 A R G <> S+ 0 0 31 -3,-1.8 4,-1.1 -4,-0.3 -1,-0.3 0.457 79.8 101.4 -65.7 4.4 94.7 -26.2 13.3 117 127 A S H <> S+ 0 0 49 -3,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.922 75.4 34.7 -48.9 -64.8 97.0 -23.5 11.9 118 128 A V H <> S+ 0 0 110 -3,-0.8 4,-0.8 1,-0.2 3,-0.2 0.848 121.2 38.7 -81.5 -37.9 98.0 -24.6 8.4 119 129 A T H > S+ 0 0 15 -4,-0.4 4,-1.9 -17,-0.2 -16,-0.2 0.754 100.8 72.7 -83.1 -28.8 95.1 -26.5 7.0 120 130 A Y H X S+ 0 0 27 -4,-1.1 4,-1.3 1,-0.2 -1,-0.2 0.784 102.9 44.6 -57.3 -28.9 92.4 -24.2 8.4 121 131 A T H X S+ 0 0 41 -4,-0.6 4,-1.9 -3,-0.2 -1,-0.2 0.835 105.5 59.5 -84.2 -33.8 93.6 -21.7 5.8 122 132 A L H < S+ 0 0 91 -4,-0.8 -2,-0.2 1,-0.2 -23,-0.2 0.800 109.1 46.6 -60.9 -27.2 93.7 -24.4 3.1 123 133 A A H < S+ 0 0 1 -4,-1.9 4,-0.3 -24,-0.3 -1,-0.2 0.883 111.9 50.3 -76.2 -42.4 89.9 -24.8 3.9 124 134 A Q H < S+ 0 0 13 -4,-1.3 3,-0.4 1,-0.2 4,-0.2 0.760 105.5 58.7 -62.2 -30.2 89.3 -21.0 3.8 125 135 A L S < S+ 0 0 98 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.531 93.1 58.2 -92.3 -13.5 91.0 -20.5 0.4 126 136 A P S > S+ 0 0 1 0, 0.0 4,-3.3 0, 0.0 -1,-0.2 0.455 99.2 65.6 -85.5 -1.9 89.0 -22.8 -2.0 127 137 A C H > S+ 0 0 3 -3,-0.4 4,-0.8 -4,-0.3 -2,-0.2 0.638 101.1 47.2 -82.7 -21.7 86.1 -20.6 -0.8 128 138 A A H > S+ 0 0 55 -4,-0.2 4,-0.6 2,-0.1 -1,-0.2 0.712 118.0 44.0 -79.0 -29.4 87.9 -17.8 -2.6 129 139 A S H > S+ 0 0 42 -4,-0.5 4,-1.1 2,-0.1 -2,-0.2 0.915 118.5 40.6 -81.0 -49.0 88.3 -20.2 -5.5 130 140 A M H X S+ 0 0 5 -4,-3.3 4,-1.4 2,-0.2 3,-0.5 0.979 109.6 54.4 -59.5 -62.8 84.8 -21.7 -5.6 131 141 A A H X S+ 0 0 8 -4,-0.8 4,-1.8 1,-0.3 3,-0.2 0.811 110.8 44.2 -50.2 -44.9 82.6 -18.6 -5.0 132 142 A L H X S+ 0 0 78 -4,-0.6 4,-2.1 2,-0.2 5,-0.3 0.875 105.6 61.5 -67.2 -40.2 84.0 -16.5 -7.8 133 143 A Q H X S+ 0 0 60 -4,-1.1 4,-0.5 -3,-0.5 -1,-0.2 0.755 107.6 46.9 -63.6 -28.4 83.9 -19.4 -10.4 134 144 A I H >X S+ 0 0 5 -4,-1.4 4,-1.9 -3,-0.2 3,-1.3 0.973 109.6 54.4 -62.5 -65.0 80.2 -19.4 -9.8 135 145 A L H 3X S+ 0 0 41 -4,-1.8 4,-1.1 1,-0.3 -2,-0.2 0.691 110.6 41.5 -49.4 -40.3 79.8 -15.6 -10.2 136 146 A W H 3< S+ 0 0 184 -4,-2.1 4,-0.4 2,-0.2 -1,-0.3 0.773 117.9 48.0 -80.7 -28.1 81.5 -15.1 -13.5 137 147 A E H XX S+ 0 0 22 -3,-1.3 3,-2.3 -4,-0.5 4,-2.1 0.989 111.6 45.0 -75.9 -65.9 79.8 -18.2 -15.1 138 148 A A H 3X S+ 0 0 3 -4,-1.9 4,-1.0 1,-0.3 -2,-0.2 0.855 115.4 50.6 -42.9 -44.3 76.2 -17.7 -14.0 139 149 A A H 3< S+ 0 0 61 -4,-1.1 -1,-0.3 -5,-0.4 -2,-0.2 0.719 109.8 51.8 -64.7 -24.7 76.7 -14.0 -15.1 140 150 A R H <4 S+ 0 0 207 -3,-2.3 -2,-0.2 -4,-0.4 -1,-0.2 0.773 103.1 57.8 -79.3 -32.2 78.0 -15.5 -18.4 141 151 A H H < 0 0 90 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.777 360.0 360.0 -69.2 -27.7 75.0 -17.7 -18.8 142 152 A L < 0 0 110 -4,-1.0 -2,-0.2 -5,-0.3 -1,-0.2 0.369 360.0 360.0-123.2 360.0 72.7 -14.6 -18.7 143 !* 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 0.0 144 11 B P 0 0 123 0, 0.0 4,-0.0 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 -45.5 65.0 -14.7 -14.0 145 12 B A > + 0 0 25 3,-0.1 4,-2.1 2,-0.1 5,-0.3 0.891 360.0 39.6 -92.7 -56.8 65.7 -18.0 -12.0 146 13 B L T 4 S+ 0 0 72 1,-0.2 -4,-0.1 2,-0.2 -5,-0.1 0.660 114.4 52.1 -78.2 -22.4 69.5 -18.5 -12.2 147 14 B P T > S+ 0 0 33 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.810 110.3 53.7 -71.5 -27.4 70.4 -14.8 -11.7 148 15 B A T 4 S+ 0 0 0 1,-0.3 -2,-0.2 2,-0.2 4,-0.2 0.938 113.2 37.1 -73.4 -52.6 68.1 -14.9 -8.6 149 16 B F T < S+ 0 0 16 -4,-2.1 3,-0.4 1,-0.2 -1,-0.3 0.504 106.3 84.6 -72.1 -5.3 69.8 -17.8 -6.9 150 17 B L T >> S+ 0 0 26 -5,-0.3 3,-1.9 1,-0.2 4,-0.5 0.993 88.8 39.0 -57.7 -70.4 72.9 -16.2 -8.3 151 18 B L H 3X S+ 0 0 83 -4,-1.2 4,-1.6 1,-0.3 -1,-0.2 0.449 97.8 83.8 -71.5 6.7 73.8 -13.6 -5.7 152 19 B C H 34 S+ 0 0 1 -3,-0.4 4,-0.4 2,-0.2 -1,-0.3 0.559 86.7 53.7 -85.7 -14.8 72.8 -16.1 -3.0 153 20 B S H X4 S+ 0 0 4 -3,-1.9 3,-0.6 -4,-0.2 4,-0.4 0.918 110.3 46.5 -74.6 -51.7 76.2 -17.7 -3.1 154 21 B T H 3X S+ 0 0 27 -4,-0.5 4,-1.2 1,-0.3 3,-0.4 0.764 107.1 55.6 -68.4 -34.3 78.0 -14.3 -2.6 155 22 B L H 3X S+ 0 0 47 -4,-1.6 4,-0.9 1,-0.2 -1,-0.3 0.861 115.5 40.5 -62.3 -35.1 75.7 -13.1 0.3 156 23 B L H <>>S+ 0 0 16 -3,-0.6 4,-0.8 -4,-0.4 5,-0.8 0.318 106.4 60.5-105.4 6.1 76.6 -16.4 2.2 157 24 B V H 45S+ 0 0 19 -3,-0.4 -1,-0.2 -4,-0.4 -2,-0.2 0.655 115.9 37.1 -90.1 -30.6 80.3 -16.5 1.3 158 25 B I H <>S+ 0 0 93 -4,-1.2 5,-1.9 3,-0.3 -2,-0.2 0.789 127.7 39.7 -78.3 -33.9 80.7 -13.2 3.0 159 26 B K H <5S+ 0 0 16 -4,-0.9 -3,-0.2 3,-0.2 -2,-0.1 0.896 131.2 22.2 -93.0 -46.9 78.1 -14.3 5.6 160 27 B M T X5S+ 0 0 15 -4,-0.8 4,-1.0 3,-0.1 -3,-0.2 0.918 143.1 21.5 -78.3 -51.1 79.0 -17.9 6.2 161 28 B Y H >5S+ 0 0 62 2,-0.2 4,-2.6 3,-0.1 -3,-0.2 0.927 116.3 45.1 -76.2 -44.3 83.8 -14.0 5.2 163 30 B V H >S+ 0 0 97 -4,-2.6 4,-3.1 2,-0.3 5,-0.7 0.957 115.3 50.7 -61.0 -55.4 87.7 -12.8 10.1 167 34 B T H <5S+ 0 0 27 -4,-3.3 4,-0.3 2,-0.2 -1,-0.2 0.792 119.0 42.6 -59.1 -27.1 86.4 -14.4 13.4 168 35 B G H >X5S+ 0 0 4 -4,-2.4 4,-2.0 -5,-0.3 3,-0.7 0.963 116.4 46.0 -64.8 -71.4 89.0 -16.9 12.5 169 36 B Q H 3X5S+ 0 0 68 -4,-4.4 4,-1.0 1,-0.3 -2,-0.2 0.712 119.5 35.7 -49.5 -45.5 91.8 -14.5 11.4 170 37 B V H 3X5S+ 0 0 74 -4,-3.1 4,-1.3 2,-0.2 -1,-0.3 0.752 114.9 56.7 -81.1 -30.2 91.6 -11.9 14.2 171 38 B R H <4< S+ 0 0 25 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90.8-156.5 96.2 12.3 69.3 -11.2 33.3 322 46 C N T 3 - 0 0 5 1,-0.3 -2,-0.1 2,-0.2 -1,-0.1 0.101 51.9 -40.8 -36.5 127.3 70.5 -14.2 35.4 323 47 C P T 3 S- 0 0 115 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 0.687 131.9 -31.1 -0.7 75.3 71.3 -13.3 39.0 324 48 C E S < S+ 0 0 194 -3,-1.2 2,-0.4 1,-0.2 -2,-0.2 0.941 102.2 173.6 54.2 100.5 72.8 -10.0 37.7 325 49 C D - 0 0 26 -4,-0.2 2,-0.7 0, 0.0 -1,-0.2 -0.945 51.7-169.1-155.1 121.4 74.2 -10.9 34.3 326 50 C A - 0 0 48 -2,-0.4 -73,-0.0 1,-0.2 -71,-0.0 -0.961 66.0-111.7 -87.6 115.6 75.8 -9.8 31.1 327 51 C L S S+ 0 0 4 -2,-0.7 -1,-0.2 3,-0.0 2,-0.1 0.503 73.9 96.8 -67.6-157.7 75.2 -13.2 29.6 328 52 C R + 0 0 42 1,-0.1 -2,-0.0 -74,-0.1 -129,-0.0 0.012 66.0 73.5 76.5 156.4 77.1 -16.3 28.4 329 53 C H - 0 0 120 1,-0.1 2,-0.4 -2,-0.1 -1,-0.1 0.902 56.6-166.5 67.1 104.8 77.3 -19.2 30.9 330 54 C G + 0 0 26 1,-0.1 11,-0.1 -3,-0.1 -1,-0.1 -0.625 52.7 84.1-124.8 75.3 74.0 -21.1 31.3 331 55 C G + 0 0 46 -2,-0.4 -1,-0.1 6,-0.1 3,-0.1 0.196 45.2 102.1-165.7 31.5 74.0 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72.3 -44.4 -10.2 424 148 C A T 3< S+ 0 0 1 -4,-3.7 -1,-0.3 -5,-0.3 -2,-0.2 0.561 103.2 52.9 -68.1 -8.4 74.9 -41.7 -10.8 425 149 C A T X4 S+ 0 0 65 -3,-1.4 3,-0.6 -4,-0.5 -1,-0.3 0.607 103.6 57.3 -92.7 -19.5 77.0 -44.3 -12.6 426 150 C R T << S+ 0 0 216 -3,-1.6 -2,-0.2 -4,-0.7 -3,-0.1 0.425 95.3 64.7 -90.9 -0.7 74.0 -45.1 -14.8 427 151 C H T 3 0 0 57 -4,-0.5 -1,-0.2 1,-0.1 -3,-0.1 0.165 360.0 360.0-101.7 17.7 73.7 -41.5 -16.0 428 152 C L < 0 0 126 -3,-0.6 -2,-0.2 -425,-0.1 -1,-0.1 0.265 360.0 360.0-140.5 360.0 77.1 -41.8 -17.7