==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-MAR-09 3GQT . COMPND 2 MOLECULE: GLUTARYL-COA DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 1516 13 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52571.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1153 76.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 154 10.2 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 . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 0.7 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 . 1 0.1 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 . 49 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 166 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 677 44.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 44 2.9 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 1 0 0 4 3 2 3 4 6 6 4 0 0 4 0 0 0 0 0 0 1 3 0 0 0 0 8 RESIDUES PER ALPHA HELIX . 1 3 0 4 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 . 9 8 0 0 4 0 0 2 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 0 0 4 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 A 0 0 101 0, 0.0 2,-0.4 0, 0.0 696,-0.2 0.000 360.0 360.0 360.0 -45.7 23.7 2.0 -24.9 2 5 A T - 0 0 104 692,-0.1 2,-0.3 694,-0.1 694,-0.3 -0.837 360.0-127.0 -99.9 141.1 22.4 0.2 -21.8 3 6 A F - 0 0 34 -2,-0.4 2,-0.6 692,-0.1 3,-0.1 -0.632 13.5-162.1 -81.7 134.0 18.6 -0.2 -20.9 4 7 A H > - 0 0 78 -2,-0.3 3,-1.8 4,-0.2 6,-0.2 -0.864 4.6-173.2-114.9 94.1 17.5 0.8 -17.4 5 8 A W T 3 S+ 0 0 55 -2,-0.6 -1,-0.1 1,-0.3 750,-0.1 0.790 86.0 51.0 -59.1 -31.7 14.1 -0.8 -16.9 6 9 A D T 3 S+ 0 0 78 1,-0.3 -1,-0.3 -3,-0.1 257,-0.0 0.517 129.2 19.9 -84.4 -9.7 13.6 1.0 -13.6 7 10 A D S X S+ 0 0 28 -3,-1.8 3,-1.9 3,-0.0 -1,-0.3 -0.418 71.6 173.2-156.5 69.6 14.4 4.4 -15.2 8 11 A P T 3 S+ 0 0 5 0, 0.0 688,-0.2 0, 0.0 -4,-0.2 0.815 82.5 40.8 -54.0 -39.8 14.0 4.1 -19.0 9 12 A L T 3 S- 0 0 0 686,-0.1 4,-0.1 690,-0.0 5,-0.0 0.215 109.3-120.1 -95.5 12.8 14.5 7.8 -19.8 10 13 A L X> + 0 0 10 -3,-1.9 3,-1.3 -6,-0.2 4,-0.6 0.930 40.9 176.5 44.9 56.2 17.4 8.2 -17.3 11 14 A L G >4 S+ 0 0 3 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.874 76.3 69.6 -53.3 -34.1 15.5 10.8 -15.3 12 15 A D G >4 S+ 0 0 55 1,-0.3 3,-0.9 2,-0.2 -1,-0.3 0.873 97.8 48.3 -52.9 -38.9 18.5 10.6 -13.1 13 16 A Q G <4 S+ 0 0 107 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.550 102.5 63.4 -80.6 -9.6 20.6 12.2 -15.8 14 17 A Q G << S+ 0 0 44 -3,-1.6 2,-0.3 -4,-0.6 -1,-0.2 0.392 90.7 88.6 -88.2 -0.3 18.1 15.0 -16.3 15 18 A L S < S- 0 0 10 -3,-0.9 2,-0.1 -4,-0.4 289,-0.0 -0.745 78.3-118.1-102.9 149.0 18.6 16.3 -12.8 16 19 A A > - 0 0 39 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.386 34.5-108.9 -71.8 159.9 21.1 18.8 -11.4 17 20 A D H > S+ 0 0 119 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.859 119.3 51.9 -64.5 -37.3 23.6 17.6 -8.9 18 21 A D H > S+ 0 0 83 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.912 109.5 51.6 -66.2 -38.8 22.0 19.4 -6.0 19 22 A E H > S+ 0 0 2 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.937 109.0 50.2 -59.1 -48.0 18.6 17.9 -6.9 20 23 A R H X S+ 0 0 51 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.913 110.6 48.8 -55.2 -46.7 20.1 14.4 -7.0 21 24 A M H X S+ 0 0 134 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.937 111.2 50.1 -63.5 -45.7 21.6 14.9 -3.5 22 25 A V H X S+ 0 0 25 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.943 113.2 47.3 -55.8 -46.6 18.3 16.2 -2.2 23 26 A R H X S+ 0 0 41 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.925 112.0 48.1 -60.4 -49.1 16.6 13.1 -3.7 24 27 A D H X S+ 0 0 80 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.890 111.5 51.4 -62.0 -39.1 19.2 10.7 -2.3 25 28 A A H X S+ 0 0 51 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.896 111.5 46.3 -64.2 -43.3 18.9 12.3 1.2 26 29 A A H X S+ 0 0 0 -4,-2.3 4,-3.3 -5,-0.2 5,-0.2 0.928 113.6 50.8 -62.2 -42.5 15.1 12.0 1.2 27 30 A H H X S+ 0 0 79 -4,-2.7 4,-2.4 2,-0.2 5,-0.4 0.922 109.5 49.0 -61.2 -46.9 15.4 8.4 -0.0 28 31 A A H X S+ 0 0 63 -4,-2.6 4,-2.0 1,-0.2 5,-0.2 0.930 115.9 44.2 -61.3 -43.7 17.9 7.5 2.8 29 32 A Y H X>S+ 0 0 20 -4,-2.4 4,-2.9 2,-0.2 5,-0.9 0.930 114.7 47.0 -65.6 -48.3 15.6 9.1 5.4 30 33 A A H X>S+ 0 0 0 -4,-3.3 5,-2.6 3,-0.2 4,-1.5 0.956 120.6 37.4 -57.3 -50.7 12.3 7.5 4.0 31 34 A Q H <5S+ 0 0 77 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.844 121.9 45.3 -73.1 -34.1 13.8 4.0 3.7 32 35 A G H <5S+ 0 0 42 -4,-2.0 -2,-0.2 -5,-0.4 -1,-0.2 0.866 132.5 12.0 -81.0 -38.1 15.9 4.3 6.8 33 36 A K H <5S+ 0 0 121 -4,-2.9 4,-0.3 -5,-0.2 -3,-0.2 0.693 130.1 40.5-115.1 -31.6 13.3 5.8 9.2 34 37 A L T >X S+ 0 0 57 -3,-0.7 4,-2.8 -4,-0.3 5,-0.2 0.757 93.8 79.7 -82.9 -28.8 7.4 2.1 11.0 38 41 A V H X S+ 0 0 6 -4,-1.5 4,-3.0 -3,-0.3 5,-0.3 0.835 84.3 53.1 -68.4 -41.1 4.9 2.0 8.2 39 42 A T H X S+ 0 0 77 -4,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.953 120.0 34.2 -58.5 -51.6 3.4 -1.5 8.5 40 43 A E H > S+ 0 0 89 -4,-0.3 4,-2.8 2,-0.2 6,-0.3 0.899 117.0 55.0 -69.3 -40.8 2.5 -1.3 12.2 41 44 A A H X>S+ 0 0 7 -4,-2.8 4,-1.5 1,-0.2 5,-1.3 0.929 112.8 42.7 -59.7 -44.1 1.7 2.5 12.0 42 45 A F H <5S+ 0 0 32 -4,-3.0 3,-0.4 -5,-0.2 -1,-0.2 0.958 114.5 50.6 -64.4 -49.0 -0.8 1.9 9.2 43 46 A R H <5S+ 0 0 127 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.912 125.6 25.8 -58.7 -43.5 -2.3 -1.2 10.9 44 47 A H H <5S- 0 0 125 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.443 102.0-118.7-105.2 3.8 -2.8 0.5 14.2 45 48 A E T <5 - 0 0 18 -4,-1.5 -3,-0.2 -3,-0.4 -4,-0.1 0.897 43.5-165.9 59.9 41.7 -3.1 4.2 13.3 46 49 A T < - 0 0 67 -5,-1.3 2,-0.5 -6,-0.3 -1,-0.2 -0.350 13.0-138.3 -61.1 131.9 -0.0 5.0 15.4 47 50 A T + 0 0 65 -2,-0.1 2,-0.2 165,-0.1 165,-0.1 -0.851 26.2 172.9 -90.1 127.3 0.6 8.7 16.1 48 51 A D > + 0 0 58 -2,-0.5 3,-1.6 163,-0.2 4,-0.2 -0.612 11.8 169.6-137.7 82.2 4.2 9.7 15.8 49 52 A A T >> + 0 0 38 1,-0.3 3,-1.6 -2,-0.2 4,-0.6 0.695 69.7 80.2 -54.7 -28.0 4.8 13.4 16.1 50 53 A A H 3> S+ 0 0 52 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.676 76.2 76.9 -59.7 -16.4 8.6 12.9 16.3 51 54 A I H <> S+ 0 0 2 -3,-1.6 4,-2.7 1,-0.2 -1,-0.3 0.881 85.6 59.1 -63.0 -36.8 8.6 12.5 12.5 52 55 A F H <> S+ 0 0 2 -3,-1.6 4,-3.2 1,-0.2 5,-0.2 0.931 106.5 46.2 -60.4 -45.3 8.2 16.3 12.0 53 56 A R H X S+ 0 0 133 -4,-0.6 4,-1.7 74,-0.3 -1,-0.2 0.859 111.7 52.7 -65.2 -35.4 11.5 17.0 13.8 54 57 A E H X S+ 0 0 46 -4,-1.6 4,-0.9 2,-0.2 -2,-0.2 0.945 115.7 40.1 -62.7 -47.1 13.2 14.2 11.9 55 58 A M H ><>S+ 0 0 0 -4,-2.7 5,-2.7 1,-0.2 3,-0.5 0.911 114.3 52.4 -66.3 -43.7 12.1 15.7 8.6 56 59 A G H ><5S+ 0 0 9 -4,-3.2 3,-0.9 70,-0.3 71,-0.2 0.871 103.5 58.0 -64.3 -32.8 12.6 19.3 9.5 57 60 A E H 3<5S+ 0 0 157 -4,-1.7 -1,-0.2 69,-0.3 -2,-0.2 0.792 108.1 44.5 -75.2 -25.5 16.2 18.7 10.6 58 61 A I T <<5S- 0 0 76 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.421 122.3-105.5 -94.0 4.9 17.3 17.3 7.2 59 62 A G T < 5S+ 0 0 18 -3,-0.9 -3,-0.2 -4,-0.4 -2,-0.1 0.801 80.4 131.3 83.6 28.3 15.4 20.2 5.5 60 63 A L < + 0 0 5 -5,-2.7 2,-0.5 -6,-0.1 -4,-0.2 0.564 50.9 86.6 -83.8 -13.9 12.4 18.3 4.2 61 64 A L S S- 0 0 1 64,-0.4 4,-0.1 -6,-0.4 37,-0.1 -0.795 106.3 -5.5 -95.9 128.5 9.9 20.8 5.5 62 65 A G S > S- 0 0 1 -2,-0.5 3,-2.3 35,-0.4 11,-0.4 0.948 74.9-175.1 57.5 53.6 9.1 23.8 3.4 63 66 A P T 3 S+ 0 0 0 0, 0.0 11,-3.4 0, 0.0 -2,-0.1 0.812 79.8 45.6 -49.9 -36.7 11.7 22.9 0.7 64 67 A T T 3 S+ 0 0 32 9,-0.2 -2,-0.1 8,-0.1 12,-0.1 0.469 85.2 111.6 -88.2 -5.3 11.1 26.1 -1.3 65 68 A I S < S- 0 0 0 -3,-2.3 8,-2.6 1,-0.1 9,-0.2 -0.543 75.2-110.4 -70.0 134.4 11.1 28.4 1.7 66 69 A P > > - 0 0 44 0, 0.0 5,-1.6 0, 0.0 3,-1.5 -0.216 20.2-112.3 -67.8 159.2 14.2 30.7 1.6 67 70 A E G > 5S+ 0 0 149 1,-0.3 3,-1.5 3,-0.2 -2,-0.1 0.736 110.7 75.0 -63.4 -26.3 17.1 30.4 4.1 68 71 A Q G 3 5S+ 0 0 157 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.864 105.1 37.3 -51.4 -36.8 16.2 33.7 5.6 69 72 A Y G < 5S- 0 0 22 -3,-1.5 56,-0.3 52,-0.1 -1,-0.3 0.281 127.6 -91.9-104.7 12.1 13.3 31.9 7.3 70 73 A G T < 5S+ 0 0 49 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.293 86.3 127.5 97.6 -7.0 14.9 28.6 8.1 71 74 A G S - 0 0 47 -2,-0.2 4,-1.8 1,-0.1 -1,-0.1 -0.272 35.7 -95.8 -85.0 175.1 13.6 24.8 -6.2 76 79 A Y H > S+ 0 0 60 231,-0.3 4,-2.6 1,-0.2 5,-0.2 0.856 121.1 59.4 -62.0 -35.2 10.3 23.1 -7.2 77 80 A V H > S+ 0 0 0 230,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.943 105.9 49.0 -61.0 -44.7 12.0 20.1 -8.7 78 81 A S H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.911 108.4 53.4 -59.1 -43.4 13.7 19.3 -5.4 79 82 A Y H X S+ 0 0 3 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.948 110.3 47.2 -56.3 -49.5 10.3 19.6 -3.6 80 83 A G H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.933 109.4 53.9 -59.6 -44.7 8.8 17.1 -6.0 81 84 A L H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.905 109.6 48.2 -57.0 -41.7 11.7 14.7 -5.6 82 85 A I H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.951 109.5 51.4 -61.4 -52.4 11.2 14.8 -1.8 83 86 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.904 109.3 52.2 -52.4 -41.4 7.5 14.2 -2.0 84 87 A R H X S+ 0 0 19 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.898 109.2 48.6 -64.7 -42.0 8.1 11.2 -4.3 85 88 A E H X S+ 0 0 4 -4,-1.9 4,-0.6 -5,-0.2 -1,-0.2 0.851 114.2 45.4 -69.2 -33.6 10.6 9.5 -1.9 86 89 A V H >X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 3,-0.8 0.910 113.5 47.3 -77.6 -42.1 8.4 9.9 1.1 87 90 A E H 3< S+ 0 0 0 -4,-2.8 4,-0.2 -5,-0.2 -2,-0.2 0.788 96.2 74.4 -71.2 -25.8 5.2 8.7 -0.7 88 91 A R H 3< S+ 0 0 33 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.888 108.7 34.3 -47.3 -37.8 7.3 5.7 -2.0 89 92 A V H << S- 0 0 8 -3,-0.8 2,-0.3 -4,-0.6 -2,-0.2 0.959 140.8 -26.1 -80.3 -59.1 7.0 4.6 1.6 90 93 A D >X - 0 0 0 -4,-2.2 4,-1.8 1,-0.1 3,-0.5 -0.927 40.0-136.4-163.3 134.0 3.4 5.9 2.4 91 94 A S H 3> S+ 0 0 0 -2,-0.3 4,-2.7 -4,-0.2 5,-0.1 0.758 105.9 63.6 -58.2 -28.1 1.0 8.7 1.3 92 95 A G H 3> S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.922 104.5 45.5 -67.4 -39.1 0.2 9.4 4.9 93 96 A Y H <> S+ 0 0 3 -3,-0.5 4,-1.5 2,-0.2 -2,-0.2 0.918 112.9 50.4 -67.1 -42.0 3.8 10.4 5.5 94 97 A R H X S+ 0 0 8 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.904 106.8 56.1 -61.0 -43.8 3.8 12.5 2.3 95 98 A S H X S+ 0 0 10 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.899 103.0 53.5 -58.2 -41.3 0.6 14.2 3.5 96 99 A M H X S+ 0 0 6 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.925 114.2 44.1 -53.7 -46.6 2.2 15.3 6.8 97 100 A M H X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 -35,-0.4 0.871 111.1 50.5 -69.9 -42.1 4.9 16.9 4.8 98 101 A S H X>S+ 0 0 4 -4,-2.8 4,-2.0 2,-0.2 5,-1.2 0.888 110.4 51.2 -72.3 -31.7 2.8 18.5 2.2 99 102 A V H X>S+ 0 0 7 -4,-2.5 5,-1.0 -5,-0.2 4,-1.0 0.967 113.1 45.3 -61.1 -52.9 0.5 20.1 4.8 100 103 A Q H <>S+ 0 0 0 -4,-2.0 5,-2.6 -5,-0.2 4,-0.5 0.940 124.1 34.2 -56.5 -48.8 3.6 21.5 6.6 101 104 A S H <>S+ 0 0 3 -4,-2.8 5,-1.7 3,-0.2 -2,-0.2 0.977 132.8 18.3 -75.5 -63.6 5.2 22.8 3.4 102 105 A S H <5S+ 0 0 1 -4,-2.0 -3,-0.2 -5,-0.2 144,-0.2 0.758 129.7 42.0 -86.7 -27.3 2.5 23.9 1.0 103 106 A L T < S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.5 0.900 116.2 49.8 -62.3 -38.5 0.5 30.9 3.0 108 111 A I H X S+ 0 0 0 -4,-1.6 4,-1.5 3,-0.2 -2,-0.2 0.927 115.9 42.6 -62.2 -43.2 2.5 32.4 5.9 109 112 A F H < S+ 0 0 50 -4,-2.7 -1,-0.2 -5,-0.2 -3,-0.2 0.898 122.8 37.4 -68.8 -40.4 5.5 33.2 3.7 110 113 A E H < S+ 0 0 97 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.819 134.4 19.0 -82.8 -34.8 3.4 34.5 0.8 111 114 A F H < S+ 0 0 5 -4,-2.8 121,-2.0 -5,-0.3 -3,-0.2 0.497 100.0 103.6-117.9 -7.5 0.7 36.4 2.6 112 115 A G < - 0 0 3 -4,-1.5 118,-0.1 -5,-0.5 2,-0.1 -0.319 70.0-108.1 -85.2 159.8 2.1 36.9 6.1 113 116 A S > - 0 0 25 116,-0.2 4,-2.8 114,-0.2 5,-0.2 -0.369 36.3-106.2 -70.2 160.3 3.5 40.0 7.8 114 117 A D H > S+ 0 0 109 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.902 125.3 54.3 -47.1 -44.4 7.2 40.3 8.4 115 118 A A H > S+ 0 0 62 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.869 109.3 45.2 -61.7 -43.5 6.2 39.7 12.1 116 119 A Q H > S+ 0 0 4 2,-0.2 4,-2.5 1,-0.2 5,-0.4 0.926 112.5 51.8 -66.1 -45.2 4.3 36.5 11.3 117 120 A K H X S+ 0 0 37 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.891 112.2 44.4 -60.9 -45.0 7.1 35.2 9.0 118 121 A E H < S+ 0 0 136 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.888 116.9 47.0 -70.2 -33.0 9.8 35.6 11.6 119 122 A K H < S+ 0 0 95 -4,-1.7 4,-0.3 -5,-0.2 -2,-0.2 0.918 125.4 21.8 -70.9 -42.5 7.7 34.2 14.4 120 123 A Y H X S+ 0 0 1 -4,-2.5 4,-1.6 -5,-0.1 3,-0.2 0.853 108.7 64.2-102.3 -41.2 6.3 31.0 12.7 121 124 A L H X S+ 0 0 0 -4,-1.2 4,-3.1 -5,-0.4 5,-0.2 0.885 96.6 54.6 -59.3 -46.1 8.5 29.9 9.7 122 125 A P H > S+ 0 0 49 0, 0.0 4,-1.2 0, 0.0 6,-0.2 0.893 114.1 41.7 -62.6 -34.3 11.8 29.0 11.5 123 126 A K H >>S+ 0 0 75 -4,-0.3 6,-2.6 -3,-0.2 4,-0.7 0.764 112.9 53.0 -83.3 -25.5 10.1 26.6 13.9 124 127 A L H <5S+ 0 0 0 -4,-1.6 3,-0.2 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102.1 60.5 -60.0 -39.4 -21.8 -16.1 -6.0 1017 258 C A H X S+ 0 0 0 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.868 113.4 38.1 -56.8 -37.0 -23.1 -14.9 -9.4 1018 259 C W H X S+ 0 0 0 -4,-1.3 4,-1.2 -3,-0.3 3,-0.4 0.887 116.8 52.7 -75.2 -43.9 -26.3 -13.8 -7.6 1019 260 C G H >X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 3,-0.6 0.910 101.9 56.0 -61.8 -45.1 -24.5 -12.7 -4.5 1020 261 C A H 3X S+ 0 0 0 -4,-3.2 4,-2.1 1,-0.3 -1,-0.2 0.812 103.7 56.5 -59.2 -32.8 -22.0 -10.4 -6.1 1021 262 C L H 3X S+ 0 0 1 -4,-0.6 4,-2.9 -3,-0.4 -1,-0.3 0.845 101.9 56.8 -69.1 -32.2 -24.9 -8.5 -7.7 1022 263 C G H S+B 1043 0G 67 3,-3.0 3,-1.5 -2,-0.3 -2,-0.0 -0.949 75.0 2.8-154.3 138.4 -21.3 21.5 -4.5 1041 282 C F T 3 S- 0 0 114 -2,-0.3 -656,-0.0 1,-0.3 0, 0.0 0.800 133.3 -59.2 51.7 31.1 -21.5 25.0 -6.1 1042 283 C G T 3 S+ 0 0 74 1,-0.2 -1,-0.3 -900,-0.0 -3,-0.0 0.721 123.0 89.7 72.6 25.8 -24.9 25.2 -4.4 1043 284 C R E < S-B 1040 0G 40 -3,-1.5 -3,-3.0 0, 0.0 -1,-0.2 -0.983 85.7 -91.9-144.1 150.2 -26.4 22.1 -6.1 1044 285 C P E > -B 1039 0G 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-43.7 -30.1 -4.8 -14.5 1064 305 C L H X S+ 0 0 1 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.866 112.1 55.4 -69.2 -41.9 -28.5 -6.9 -17.3 1065 306 C G H X S+ 0 0 1 -4,-2.2 4,-2.1 -5,-0.3 5,-0.2 0.918 107.5 50.5 -57.1 -44.2 -26.6 -9.0 -14.8 1066 307 C L H X S+ 0 0 10 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.854 106.2 53.0 -64.7 -38.0 -29.8 -9.9 -12.9 1067 308 C Q H X S+ 0 0 9 -4,-1.4 4,-2.3 -5,-0.2 -1,-0.2 0.885 109.9 52.6 -64.2 -36.3 -31.6 -11.0 -16.1 1068 309 C G H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.944 112.0 40.5 -61.0 -56.0 -28.6 -13.3 -16.8 1069 310 C V H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.844 114.4 54.5 -66.4 -32.3 -28.6 -15.1 -13.4 1070 311 C L H X S+ 0 0 7 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.959 110.0 45.6 -63.5 -50.0 -32.3 -15.3 -13.3 1071 312 C R H X S+ 0 0 30 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.921 113.4 51.0 -58.1 -43.2 -32.4 -17.0 -16.8 1072 313 C L H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 -1,-0.2 0.926 109.6 49.9 -58.5 -47.4 -29.6 -19.3 -15.6 1073 314 C G H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 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V H >> S+ 0 0 86 67,-0.3 3,-0.7 1,-0.3 4,-0.7 0.757 110.5 69.1 -63.9 -25.4 -22.2 -25.9 -16.8 1084 325 C E H >> S+ 0 0 52 1,-0.2 4,-1.3 2,-0.2 3,-0.8 0.817 87.0 65.9 -62.8 -30.2 -20.5 -23.5 -19.1 1085 326 C I H <> S+ 0 0 2 -3,-1.4 4,-1.9 1,-0.3 3,-0.3 0.884 94.2 60.8 -57.4 -35.5 -23.4 -21.0 -18.7 1086 327 C T H X S+ 0 0 0 -4,-2.9 3,-1.0 1,-0.2 4,-0.6 0.910 110.4 53.3 -63.9 -45.6 -18.8 4.0 -6.3 1105 346 C R H >< S+ 0 0 24 -4,-2.9 3,-1.2 1,-0.2 -1,-0.2 0.900 106.5 53.1 -53.8 -45.1 -15.7 4.3 -4.1 1106 347 C D H 3< S+ 0 0 46 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.655 104.2 57.3 -72.1 -14.4 -14.3 7.0 -6.4 1107 348 C M H << S+ 0 0 11 -3,-1.0 2,-0.4 -4,-0.7 -1,-0.3 0.574 91.9 83.9 -85.5 -13.7 -17.6 9.0 -6.0 1108 349 C L << 0 0 13 -3,-1.2 -77,-0.0 -4,-0.6 -743,-0.0 -0.805 360.0 360.0 -98.0 134.6 -17.3 9.2 -2.2 1109 350 C G 0 0 74 -2,-0.4 -743,-0.1 -745,-0.0 -2,-0.1 -0.211 360.0 360.0-121.6 360.0 -15.2 11.9 -0.5 1110 ! 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 1111 357 C E > 0 0 82 0, 0.0 3,-2.4 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 -38.1 -21.5 5.0 3.4 1112 358 C F T 3> + 0 0 66 1,-0.3 4,-1.1 2,-0.2 3,-0.2 0.424 360.0 97.2 -67.9 6.3 -18.0 3.6 3.8 1113 359 C G H 3> S+ 0 0 18 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.843 75.4 65.4 -49.8 -31.3 -19.8 0.4 3.6 1114 360 C V H <> S+ 0 0 0 -3,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.923 94.3 53.1 -64.4 -40.5 -18.6 0.8 0.0 1115 361 C A H > S+ 0 0 13 -3,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.821 110.6 48.4 -65.8 -31.2 -14.9 0.5 1.0 1116 362 C R H X S+ 0 0 28 -4,-1.1 4,-2.3 -3,-0.3 -141,-0.3 0.932 111.1 47.6 -70.3 -53.9 -15.7 -2.8 2.7 1117 363 C H H X S+ 0 0 5 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.904 111.6 56.3 -52.1 -40.5 -17.7 -4.2 -0.2 1118 364 C L H X S+ 0 0 1 -4,-2.8 4,-2.0 -5,-0.2 -2,-0.2 0.947 109.1 40.4 -61.6 -54.8 -14.8 -3.1 -2.4 1119 365 C V H X S+ 0 0 14 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.869 115.4 54.3 -66.8 -31.8 -12.0 -5.0 -0.6 1120 366 C N H >X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 3,-0.6 0.954 109.2 46.9 -58.7 -52.5 -14.3 -8.0 -0.2 1121 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