==== 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 16-MAR-09 3GNC . COMPND 2 MOLECULE: GLUTARYL-COA DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 1515 14 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53057.0 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 . 29 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 148 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 62 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 164 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 669 44.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 46 3.0 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 1 0 0 4 3 1 3 4 9 2 4 1 0 3 0 0 0 0 1 0 1 2 0 1 0 1 7 RESIDUES PER ALPHA HELIX . 3 1 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 . 7 9 0 1 3 0 0 4 4 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 . 2 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 3 A A 0 0 145 0, 0.0 2,-0.1 0, 0.0 694,-0.1 0.000 360.0 360.0 360.0 104.1 27.0 50.9 25.3 2 4 A A - 0 0 42 692,-0.2 2,-0.3 690,-0.2 694,-0.3 -0.326 360.0-157.4 -72.4 131.3 23.6 50.1 23.6 3 5 A T - 0 0 107 692,-0.1 2,-0.3 -2,-0.1 692,-0.3 -0.812 18.9-117.5-104.0 148.1 22.2 52.4 20.9 4 6 A F - 0 0 31 -2,-0.3 2,-0.6 690,-0.1 3,-0.1 -0.643 15.0-158.0 -86.7 136.3 18.5 52.6 20.0 5 7 A H > - 0 0 84 -2,-0.3 3,-2.1 4,-0.2 6,-0.2 -0.886 3.3-168.8-111.9 97.7 17.4 51.7 16.5 6 8 A W T 3 S+ 0 0 58 -2,-0.6 -1,-0.1 1,-0.3 748,-0.1 0.835 89.2 48.6 -55.5 -34.2 14.0 53.5 16.0 7 9 A D T 3 S+ 0 0 77 1,-0.2 -1,-0.3 -3,-0.1 254,-0.0 0.501 129.1 21.1 -86.1 -6.7 13.4 51.5 12.8 8 10 A D S X S+ 0 0 32 -3,-2.1 3,-2.5 3,-0.1 -1,-0.2 -0.351 71.0 169.6-156.5 63.3 14.3 48.1 14.4 9 11 A P T 3 S+ 0 0 5 0, 0.0 686,-0.3 0, 0.0 -4,-0.2 0.803 82.2 40.2 -58.8 -35.5 13.9 48.5 18.2 10 12 A L T 3 S- 0 0 1 684,-0.1 4,-0.0 -6,-0.1 684,-0.0 0.210 111.1-119.0 -95.1 13.0 14.2 44.8 19.0 11 13 A L X + 0 0 15 -3,-2.5 3,-1.1 -6,-0.2 4,-0.5 0.932 40.9 177.4 48.2 57.3 17.0 44.3 16.4 12 14 A L G > S+ 0 0 2 1,-0.3 3,-1.9 2,-0.2 4,-0.4 0.874 77.5 67.6 -51.5 -40.8 15.1 41.8 14.4 13 15 A D G > S+ 0 0 54 1,-0.3 3,-1.0 2,-0.2 -1,-0.3 0.864 98.2 49.9 -45.1 -44.8 18.1 41.9 12.2 14 16 A Q G < S+ 0 0 106 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.507 102.3 61.3 -79.7 -6.2 20.2 40.2 14.9 15 17 A Q G < S+ 0 0 46 -3,-1.9 -1,-0.2 -4,-0.5 2,-0.2 0.388 90.0 88.6 -97.4 -2.6 17.6 37.4 15.5 16 18 A L S < S- 0 0 10 -3,-1.0 2,-0.2 -4,-0.4 286,-0.0 -0.628 78.6-120.8 -90.2 154.0 18.0 36.1 11.9 17 19 A A > - 0 0 46 -2,-0.2 4,-2.6 1,-0.1 3,-0.5 -0.566 32.6-108.5 -80.9 161.0 20.5 33.5 10.7 18 20 A D H > S+ 0 0 104 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.904 121.8 58.9 -56.9 -50.4 22.9 34.7 8.0 19 21 A D H > S+ 0 0 95 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.881 110.4 41.8 -25.9 -58.3 21.1 32.5 5.6 20 22 A E H > S+ 0 0 2 -3,-0.5 4,-2.4 1,-0.2 -2,-0.2 0.898 111.5 52.9 -78.1 -40.7 17.9 34.4 6.3 21 23 A R H X S+ 0 0 56 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.870 108.2 52.3 -62.4 -37.2 19.4 37.9 6.3 22 24 A M H X S+ 0 0 122 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.892 109.3 49.7 -66.0 -40.9 20.9 37.2 2.8 23 25 A V H X S+ 0 0 19 -4,-1.5 4,-2.4 -5,-0.2 5,-0.2 0.927 110.7 49.8 -60.4 -46.5 17.5 36.2 1.5 24 26 A R H X S+ 0 0 40 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.914 110.4 50.8 -60.2 -42.4 16.0 39.3 3.0 25 27 A D H X S+ 0 0 77 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.916 111.0 47.1 -62.8 -42.3 18.7 41.5 1.4 26 28 A A H X S+ 0 0 47 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.889 113.4 48.0 -68.6 -40.1 18.2 39.9 -2.1 27 29 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.912 113.0 49.7 -65.6 -41.9 14.4 40.3 -1.9 28 30 A H H X S+ 0 0 81 -4,-2.8 4,-2.5 -5,-0.2 5,-0.4 0.920 111.2 47.9 -60.6 -48.7 14.9 43.9 -0.7 29 31 A A H X S+ 0 0 60 -4,-2.9 4,-2.6 1,-0.2 5,-0.3 0.923 115.1 46.1 -61.0 -44.2 17.3 44.7 -3.6 30 32 A Y H X>S+ 0 0 19 -4,-2.5 4,-3.6 3,-0.2 5,-0.8 0.964 115.1 44.7 -62.4 -52.6 15.0 43.1 -6.2 31 33 A A H X>S+ 0 0 0 -4,-2.7 5,-2.4 3,-0.2 4,-1.2 0.907 121.1 38.3 -62.5 -45.6 11.8 44.8 -4.9 32 34 A Q H <5S+ 0 0 73 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.884 122.2 45.0 -73.3 -38.0 13.3 48.2 -4.5 33 35 A G H <5S+ 0 0 48 -4,-2.6 -2,-0.2 -5,-0.4 -3,-0.2 0.891 133.6 12.1 -70.0 -41.4 15.4 47.9 -7.7 34 36 A K H <5S+ 0 0 99 -4,-3.6 4,-0.4 -5,-0.3 -3,-0.2 0.743 128.6 41.9-114.3 -33.0 12.7 46.4 -10.0 35 37 A L T >X S+ 0 0 46 -3,-0.8 4,-2.3 -4,-0.4 3,-0.3 0.724 95.0 83.6 -84.3 -25.7 6.9 50.1 -11.8 39 41 A V H X S+ 0 0 8 -4,-1.7 4,-2.9 -3,-0.3 5,-0.3 0.839 83.0 52.6 -62.6 -42.7 4.4 50.3 -9.1 40 42 A T H X S+ 0 0 60 -4,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.909 118.5 34.2 -62.1 -46.6 2.8 53.8 -9.4 41 43 A E H > S+ 0 0 95 -3,-0.3 4,-2.2 -4,-0.3 6,-0.3 0.810 116.1 56.8 -78.0 -32.2 1.9 53.5 -13.1 42 44 A A H X>S+ 0 0 8 -4,-2.3 5,-1.5 2,-0.2 4,-0.8 0.914 111.6 43.1 -63.1 -43.8 1.1 49.8 -12.8 43 45 A F H ><5S+ 0 0 34 -4,-2.9 3,-0.7 -5,-0.2 -2,-0.2 0.961 113.3 52.4 -63.1 -52.1 -1.4 50.5 -10.1 44 46 A R H 3<5S+ 0 0 138 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.890 124.8 22.7 -50.5 -52.2 -2.9 53.5 -11.9 45 47 A H H 3<5S- 0 0 133 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.211 105.3-114.2-109.8 14.6 -3.6 51.7 -15.2 46 48 A E T <<5 - 0 0 18 -4,-0.8 -3,-0.2 -3,-0.7 -4,-0.1 0.919 43.4-161.9 59.2 46.6 -3.8 48.1 -14.0 47 49 A T < - 0 0 57 -5,-1.5 2,-0.6 -6,-0.3 -1,-0.2 -0.375 13.0-143.1 -60.8 135.3 -0.6 47.1 -16.0 48 50 A T + 0 0 61 -2,-0.1 2,-0.5 162,-0.1 3,-0.1 -0.928 24.0 173.3 -95.7 114.4 -0.1 43.4 -16.6 49 51 A D > + 0 0 66 -2,-0.6 3,-1.4 160,-0.3 4,-0.2 -0.795 5.7 173.0-123.0 87.4 3.7 42.7 -16.4 50 52 A A T >> + 0 0 40 -2,-0.5 3,-1.4 1,-0.3 4,-0.5 0.704 66.9 80.7 -69.1 -19.1 4.1 38.9 -16.6 51 53 A A H 3> S+ 0 0 48 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.679 73.0 79.9 -61.3 -18.1 7.9 39.2 -16.7 52 54 A I H <> S+ 0 0 2 -3,-1.4 4,-2.7 1,-0.2 -1,-0.3 0.858 85.3 58.1 -58.9 -37.2 7.9 39.7 -12.9 53 55 A F H <> S+ 0 0 0 -3,-1.4 4,-3.1 2,-0.2 5,-0.2 0.926 108.1 43.9 -63.3 -46.9 7.6 35.9 -12.4 54 56 A R H X S+ 0 0 137 -4,-0.5 4,-3.0 74,-0.3 -1,-0.2 0.947 114.0 52.1 -61.2 -45.7 10.7 35.0 -14.3 55 57 A E H X S+ 0 0 36 -4,-2.1 4,-0.7 1,-0.2 -2,-0.2 0.887 114.5 42.8 -55.0 -43.2 12.5 37.9 -12.5 56 58 A M H ><>S+ 0 0 0 -4,-2.7 5,-2.2 2,-0.2 3,-0.6 0.920 114.7 47.7 -71.5 -47.5 11.4 36.5 -9.1 57 59 A G H ><5S+ 0 0 8 -4,-3.1 3,-2.0 70,-0.3 71,-0.2 0.916 100.8 68.0 -60.4 -42.8 12.1 32.9 -9.9 58 60 A E H 3<5S+ 0 0 164 -4,-3.0 -1,-0.2 69,-0.5 -2,-0.2 0.838 107.8 37.5 -43.5 -42.3 15.6 33.7 -11.2 59 61 A I T <<5S- 0 0 85 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.492 123.1-102.0 -95.3 -0.8 16.7 34.7 -7.8 60 62 A G T < 5S+ 0 0 17 -3,-2.0 -3,-0.2 -4,-0.5 -2,-0.1 0.856 81.8 128.1 83.6 40.1 14.8 32.0 -5.9 61 63 A L < + 0 0 5 -5,-2.2 2,-0.5 65,-0.2 -4,-0.2 0.525 50.4 85.6-101.2 -9.9 11.8 34.0 -4.6 62 64 A L S S- 0 0 0 64,-0.5 37,-0.1 -6,-0.3 4,-0.1 -0.828 106.4 -3.5 -96.5 131.5 9.2 31.7 -6.0 63 65 A G S > S- 0 0 2 -2,-0.5 3,-2.2 35,-0.3 11,-0.3 0.894 76.4-173.9 56.4 49.2 8.2 28.7 -3.8 64 66 A P T 3 S+ 0 0 1 0, 0.0 11,-2.7 0, 0.0 10,-0.1 0.747 76.8 44.8 -41.8 -45.1 10.8 29.5 -1.1 65 67 A T T 3 S+ 0 0 34 9,-0.2 12,-0.1 8,-0.1 -2,-0.1 0.525 83.8 112.5 -87.5 -5.6 10.2 26.4 1.0 66 68 A I S < S- 0 0 2 -3,-2.2 8,-2.2 1,-0.1 9,-0.3 -0.507 75.9-107.5 -68.0 131.6 10.1 23.9 -1.9 67 69 A P > > - 0 0 40 0, 0.0 5,-1.9 0, 0.0 3,-1.4 -0.086 18.2-114.3 -59.4 159.1 13.2 21.6 -1.8 68 70 A E G > 5S+ 0 0 135 1,-0.3 3,-2.2 3,-0.2 -2,-0.1 0.800 108.4 77.4 -63.2 -29.9 16.2 21.9 -4.2 69 71 A Q G 3 5S+ 0 0 153 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.763 104.7 35.2 -50.3 -28.4 15.3 18.4 -5.6 70 72 A Y G < 5S- 0 0 20 -3,-1.4 -1,-0.3 2,-0.1 56,-0.3 0.054 128.4 -88.0-120.2 23.6 12.5 20.1 -7.5 71 73 A G T < 5S+ 0 0 44 -3,-2.2 -3,-0.2 1,-0.3 -2,-0.1 0.456 86.4 127.7 90.3 0.8 14.1 23.5 -8.4 72 74 A G < - 0 0 5 -5,-1.9 -1,-0.3 1,-0.1 -9,-0.1 -0.479 69.9-116.5 -86.1 162.6 13.1 25.4 -5.2 73 75 A P - 0 0 36 0, 0.0 -5,-0.2 0, 0.0 -8,-0.1 0.549 36.1-131.0 -79.8 -5.0 15.7 27.2 -3.2 74 76 A G + 0 0 31 -8,-2.2 -9,-0.2 -11,-0.3 2,-0.1 0.870 49.0 160.1 61.2 38.1 15.1 25.0 -0.1 75 77 A L - 0 0 31 -11,-2.7 -1,-0.1 -9,-0.3 2,-0.1 -0.396 38.6-109.4 -85.8 168.2 14.7 28.0 2.2 76 78 A D > - 0 0 46 -2,-0.1 4,-1.8 1,-0.1 3,-0.4 -0.412 33.1 -98.3 -93.7 171.6 13.0 27.9 5.7 77 79 A Y H > S+ 0 0 65 228,-0.3 4,-2.4 1,-0.3 5,-0.1 0.847 121.5 58.5 -62.0 -37.9 9.7 29.5 6.7 78 80 A V H > S+ 0 0 0 227,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.914 106.4 50.2 -55.3 -42.9 11.3 32.5 8.2 79 81 A S H > S+ 0 0 0 -3,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.918 106.0 54.2 -64.8 -43.9 12.9 33.2 4.8 80 82 A Y H X S+ 0 0 4 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.941 111.0 48.4 -50.1 -45.7 9.5 32.8 3.0 81 83 A G H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.922 108.9 50.6 -64.3 -47.0 8.2 35.5 5.5 82 84 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.896 110.1 51.5 -56.7 -42.2 11.1 37.9 4.9 83 85 A I H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.963 110.3 47.8 -60.0 -50.1 10.6 37.6 1.1 84 86 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.887 109.4 53.9 -59.3 -42.2 6.9 38.4 1.4 85 87 A R H X S+ 0 0 21 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.890 110.2 46.6 -59.8 -42.2 7.6 41.4 3.7 86 88 A E H X S+ 0 0 4 -4,-2.0 4,-0.6 -3,-0.2 -1,-0.2 0.847 113.9 47.2 -73.8 -34.4 10.0 42.9 1.2 87 89 A V H >X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 3,-0.9 0.921 114.1 46.2 -70.7 -42.2 7.7 42.4 -1.8 88 90 A E H 3< S+ 0 0 0 -4,-2.6 4,-0.2 1,-0.3 -2,-0.2 0.813 96.8 73.4 -74.3 -28.7 4.6 43.8 0.0 89 91 A R H 3< S+ 0 0 31 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.832 108.7 35.0 -47.4 -37.5 6.7 46.8 1.3 90 92 A V H << S- 0 0 6 -3,-0.9 2,-0.3 -4,-0.6 -2,-0.2 0.940 140.6 -24.4 -79.4 -57.4 6.4 47.9 -2.3 91 93 A D >X - 0 0 0 -4,-2.1 4,-1.6 1,-0.1 3,-0.6 -0.933 39.6-137.4-162.0 135.1 2.9 46.6 -3.0 92 94 A S H 3> S+ 0 0 0 -2,-0.3 4,-2.7 1,-0.2 5,-0.1 0.766 104.9 64.0 -58.2 -30.1 0.4 44.0 -1.8 93 95 A G H 3> S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.872 104.1 45.1 -65.2 -37.1 -0.5 43.2 -5.5 94 96 A Y H <> S+ 0 0 4 -3,-0.6 4,-1.7 2,-0.2 -1,-0.2 0.880 112.5 51.3 -72.6 -38.5 3.0 41.9 -6.2 95 97 A R H X S+ 0 0 9 -4,-1.6 4,-2.8 1,-0.2 -2,-0.2 0.919 106.9 55.5 -64.1 -40.3 3.0 40.0 -2.9 96 98 A S H X S+ 0 0 13 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.896 104.2 52.0 -56.4 -42.6 -0.3 38.5 -4.0 97 99 A M H X S+ 0 0 10 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.918 114.1 44.9 -61.2 -41.6 1.2 37.2 -7.3 98 100 A M H X S+ 0 0 1 -4,-1.7 4,-2.7 2,-0.2 -35,-0.3 0.858 107.3 56.9 -68.2 -44.2 4.0 35.5 -5.3 99 101 A S H X>S+ 0 0 5 -4,-2.8 4,-2.0 2,-0.2 5,-1.3 0.894 107.6 50.6 -54.9 -42.8 1.6 34.1 -2.7 100 102 A V H X>S+ 0 0 8 -4,-2.0 4,-0.9 3,-0.2 5,-0.6 0.971 112.6 44.0 -63.5 -54.9 -0.3 32.3 -5.5 101 103 A Q H <>S+ 0 0 0 -4,-1.8 5,-2.3 3,-0.2 4,-0.4 0.924 124.9 33.7 -49.8 -54.1 2.9 30.7 -7.1 102 104 A S H <>S+ 0 0 3 -4,-2.7 5,-1.2 3,-0.2 -2,-0.2 0.971 132.1 19.4 -74.9 -59.6 4.4 29.7 -3.8 103 105 A S H <5S+ 0 0 0 -4,-2.0 -3,-0.2 -5,-0.3 141,-0.2 0.804 128.7 40.5 -87.2 -33.7 1.6 28.7 -1.4 104 106 A L T < S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.890 117.0 44.1 -56.9 -40.3 -0.4 21.8 -3.2 109 111 A I H X S+ 0 0 0 -4,-1.5 4,-2.5 3,-0.2 -2,-0.2 0.967 117.9 43.1 -69.0 -51.9 1.6 20.0 -6.0 110 112 A F H < S+ 0 0 56 -4,-2.6 -3,-0.2 1,-0.2 -1,-0.2 0.923 122.3 39.5 -55.7 -46.5 4.7 19.3 -3.8 111 113 A E H < S+ 0 0 99 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.855 134.1 16.3 -79.1 -36.9 2.6 18.2 -0.8 112 114 A F H < S+ 0 0 8 -4,-2.3 118,-1.8 -5,-0.3 -3,-0.2 0.449 101.5 97.3-118.8 -4.5 -0.2 16.2 -2.5 113 115 A G S < S- 0 0 4 -4,-2.5 2,-0.1 -5,-0.3 115,-0.1 -0.363 72.4-101.7 -88.7 167.2 1.0 15.4 -6.1 114 116 A S > - 0 0 30 111,-0.2 4,-2.7 113,-0.2 5,-0.2 -0.395 37.1-104.2 -75.7 162.5 2.6 12.4 -7.6 115 117 A D H > S+ 0 0 105 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.929 124.2 53.3 -50.0 -50.5 6.3 12.1 -8.3 116 118 A A H > S+ 0 0 65 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.891 110.5 46.1 -53.5 -45.7 5.5 12.6 -12.0 117 119 A Q H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 5,-0.5 0.916 112.3 51.3 -64.7 -43.6 3.5 15.8 -11.3 118 120 A K H X S+ 0 0 32 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.931 113.6 41.9 -63.1 -47.5 6.2 17.2 -8.9 119 121 A E H < S+ 0 0 126 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.862 117.4 49.3 -71.6 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9,-0.2 -2,-0.1 8,-0.1 12,-0.1 0.442 83.6 108.3 -92.4 -0.2 -32.0 80.7 1.9 825 68 C I S < S- 0 0 1 -3,-2.9 8,-2.1 -4,-0.1 9,-0.3 -0.631 78.6-109.5 -74.0 129.1 -31.6 83.7 -0.5 826 69 C P > > - 0 0 43 0, 0.0 5,-2.2 0, 0.0 3,-0.8 -0.040 17.2-113.6 -59.2 163.5 -35.0 85.5 -0.6 827 70 C E G > 5S+ 0 0 153 1,-0.2 3,-2.2 3,-0.2 -2,-0.0 0.844 110.6 74.9 -60.0 -36.5 -37.3 85.6 -3.7 828 71 C Q G 3 5S+ 0 0 152 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 0.825 105.1 34.5 -41.9 -43.5 -36.5 89.3 -4.0 829 72 C Y G < 5S- 0 0 22 -3,-0.8 -1,-0.3 52,-0.1 56,-0.2 0.199 129.7 -89.3-105.9 15.2 -33.1 88.5 -5.4 830 73 C G T < 5S+ 0 0 45 -3,-2.2 -3,-0.2 1,-0.3 -2,-0.1 0.395 86.1 129.0 97.1 -1.7 -34.1 85.3 -7.3 831 74 C G < - 0 0 4 -5,-2.2 -1,-0.3 1,-0.1 -9,-0.1 -0.362 69.2-115.2 -78.6 166.2 -33.5 82.8 -4.5 832 75 C P - 0 0 33 0, 0.0 -5,-0.2 0, 0.0 -8,-0.1 0.525 37.2-128.9 -83.5 -4.8 -36.2 80.3 -3.6 833 76 C G + 0 0 42 -8,-2.1 -9,-0.2 -11,-0.3 -6,-0.1 0.742 52.4 153.8 67.7 26.4 -36.7 81.7 -0.1 834 77 C L - 0 0 37 -11,-2.4 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0.933 107.8 54.0 -63.8 -41.8 -22.3 68.6 -2.8 855 98 C S H X S+ 0 0 17 -4,-3.0 4,-2.4 2,-0.3 -2,-0.2 0.919 106.3 49.4 -56.5 -50.8 -19.1 70.6 -2.6 856 99 C M H X S+ 0 0 2 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.924 114.5 48.6 -54.1 -41.9 -19.7 72.4 -6.0 857 100 C M H X S+ 0 0 1 -4,-1.9 4,-2.2 1,-0.2 5,-0.3 0.857 106.7 54.1 -67.2 -40.2 -23.1 73.1 -4.5 858 101 C S H X>S+ 0 0 5 -4,-2.5 4,-2.5 2,-0.2 5,-1.0 0.892 107.0 52.8 -62.1 -41.9 -21.8 74.4 -1.2 859 102 C V H X>S+ 0 0 8 -4,-2.4 4,-1.4 3,-0.2 5,-0.8 0.970 111.2 44.9 -56.4 -57.2 -19.5 76.9 -3.0 860 103 C Q H X>S+ 0 0 0 -4,-1.8 5,-2.2 3,-0.2 4,-0.6 0.936 124.2 31.7 -54.1 -54.3 -22.4 78.4 -5.0 861 104 C S H <>S+ 0 0 2 -4,-2.2 5,-0.9 3,-0.2 -2,-0.2 0.945 133.1 22.5 -76.1 -51.2 -24.8 78.7 -2.2 862 105 C S H <5S+ 0 0 1 -4,-2.5 144,-0.2 -5,-0.3 -3,-0.2 0.742 127.7 40.1 -93.2 -27.8 -22.8 79.3 0.9 863 106 C L H < S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 5,-0.4 0.908 116.1 48.7 -61.2 -39.5 -21.5 86.9 1.0 868 111 C I H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.970 116.5 42.6 -64.9 -50.7 -23.0 88.8 -1.9 869 112 C F H < S+ 0 0 54 -4,-2.6 -1,-0.2 -5,-0.2 -3,-0.2 0.889 121.7 41.0 -57.3 -41.8 -26.4 88.8 -0.2 870 113 C E H < S+ 0 0 98 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.843 133.7 14.9 -81.2 -36.3 -25.0 89.5 3.2 871 114 C F H < S+ 0 0 8 -4,-3.1 121,-2.1 -5,-0.2 -3,-0.2 0.403 99.5 107.9-122.8 -2.2 -22.4 92.2 2.5 872 115 C G < - 0 0 2 -4,-2.2 2,-0.2 -5,-0.4 118,-0.1 -0.210 69.0-108.8 -76.0 165.5 -23.1 93.3 -1.1 873 116 C S > - 0 0 33 114,-0.2 4,-3.2 116,-0.2 5,-0.2 -0.510 37.8-104.9 -77.2 163.9 -24.6 96.6 -2.3 874 117 C D H > S+ 0 0 108 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.822 124.8 51.2 -59.2 -32.8 -28.1 96.6 -3.7 875 118 C A H > S+ 0 0 60 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.864 111.4 46.0 -73.5 -39.2 -26.7 96.9 -7.1 876 119 C Q H > S+ 0 0 4 2,-0.2 4,-2.7 3,-0.2 5,-0.5 0.946 114.9 48.7 -65.6 -47.0 -24.3 94.0 -6.5 877 120 C K H X S+ 0 0 33 -4,-3.2 4,-1.4 1,-0.2 -2,-0.2 0.947 114.2 43.8 -58.6 -51.0 -27.2 91.9 -5.0 878 121 C E H < S+ 0 0 138 -4,-2.6 -1,-0.2 1,-0.2 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