==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 25-JUL-10 3O3O . COMPND 2 MOLECULE: ALPHA-SUBUNIT 2-HYDROXYISOCAPROYL-COA DEHYDRATASE . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM DIFFICILE; . AUTHOR S.H.KNAUER,W.BUCKEL,H.DOBBEK . 774 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30973.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 563 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 8.5 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 . 41 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 345 44.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.2 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 3 0 1 0 0 3 3 3 5 2 1 0 3 0 0 1 1 2 2 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 5 1 2 1 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 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 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 6 A E > 0 0 143 0, 0.0 4,-2.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 -71.5 -9.8 -44.5 29.8 2 7 A A H > + 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.877 360.0 61.4 -53.3 -40.0 -12.1 -41.4 30.2 3 8 A R H > S+ 0 0 78 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.927 109.0 39.7 -49.5 -52.0 -10.3 -40.1 27.1 4 9 A V H > S+ 0 0 98 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.856 112.9 56.3 -70.6 -35.8 -11.5 -43.0 25.0 5 10 A V H X S+ 0 0 54 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.939 109.8 44.8 -61.2 -48.3 -14.9 -42.9 26.6 6 11 A I H X S+ 0 0 1 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.893 113.4 49.9 -64.4 -42.7 -15.5 -39.3 25.7 7 12 A N H X S+ 0 0 77 -4,-1.8 4,-1.8 -5,-0.3 -1,-0.2 0.878 110.5 49.8 -63.6 -39.8 -14.2 -39.7 22.1 8 13 A D H X S+ 0 0 101 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.814 107.6 55.2 -68.0 -31.6 -16.4 -42.8 21.5 9 14 A L H X S+ 0 0 12 -4,-1.5 4,-0.9 -5,-0.2 -1,-0.2 0.816 107.2 50.0 -72.4 -31.7 -19.4 -40.9 22.8 10 15 A L H >X S+ 0 0 34 -4,-1.4 4,-1.2 2,-0.2 3,-0.8 0.940 108.7 49.7 -68.9 -50.4 -18.8 -38.0 20.3 11 16 A A H 3X S+ 0 0 59 -4,-1.8 4,-2.1 1,-0.3 -1,-0.2 0.764 104.7 62.3 -61.2 -25.0 -18.5 -40.3 17.2 12 17 A E H 3X S+ 0 0 70 -4,-1.0 4,-2.4 2,-0.2 -1,-0.3 0.855 97.4 55.7 -69.5 -35.8 -21.7 -42.0 18.3 13 18 A Q H S+ 0 0 1 -4,-1.6 5,-1.7 1,-0.2 -1,-0.2 0.867 110.5 48.9 -65.1 -38.1 -31.7 -41.0 11.4 21 26 A K H <5S+ 0 0 68 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.884 104.7 55.2 -72.9 -41.3 -31.4 -39.3 8.0 22 27 A E H <5S+ 0 0 157 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.853 113.0 48.3 -66.4 -32.8 -31.4 -42.5 5.8 23 28 A E T <5S- 0 0 117 -4,-1.3 -3,-0.1 -5,-0.2 0, 0.0 0.175 120.8 -83.0 -73.5-150.9 -34.7 -43.4 7.5 24 29 A G T 5S+ 0 0 79 2,-0.1 -3,-0.2 -2,-0.0 -4,-0.1 0.237 84.3 126.4-104.8 15.2 -37.3 -40.7 7.6 25 30 A R < - 0 0 99 -5,-1.7 2,-0.2 -6,-0.2 -2,-0.1 -0.559 57.5-123.9 -85.4 134.8 -36.1 -38.8 10.7 26 31 A P - 0 0 36 0, 0.0 19,-0.7 0, 0.0 2,-0.4 -0.491 22.8-157.5 -76.5 141.1 -35.4 -35.0 10.6 27 32 A V E -a 45 0A 0 -2,-0.2 76,-3.9 74,-0.2 77,-1.1 -0.926 5.3-152.8-121.6 144.1 -32.0 -33.7 11.7 28 33 A G E -ab 46 104A 0 17,-1.8 19,-3.0 -2,-0.4 2,-0.4 -0.814 10.7-143.7-118.7 156.6 -31.0 -30.2 12.9 29 34 A W E -ab 47 105A 2 75,-1.9 77,-2.3 -2,-0.3 2,-0.3 -0.968 29.9-176.9-114.7 136.5 -28.0 -27.8 13.0 30 35 A S E - b 0 106A 1 17,-2.1 20,-0.4 -2,-0.4 77,-0.2 -0.955 28.2-109.6-141.4 148.1 -27.6 -25.6 16.1 31 36 A T > - 0 0 0 75,-1.9 3,-1.5 -2,-0.3 78,-0.0 -0.420 42.9-106.7 -74.8 156.6 -25.4 -22.9 17.7 32 37 A S T 3 S+ 0 0 13 1,-0.3 -1,-0.1 -2,-0.1 75,-0.0 0.528 112.8 35.2 -72.3 -11.0 -23.2 -23.8 20.6 33 38 A V T 3 S+ 0 0 0 75,-0.2 -1,-0.3 2,-0.0 77,-0.1 -0.103 83.5 136.1-131.4 38.4 -25.1 -22.2 23.4 34 39 A F S < S- 0 0 3 -3,-1.5 2,-2.4 72,-0.1 3,-0.1 -0.481 73.5 -91.9 -78.3 154.2 -28.7 -22.7 22.2 35 40 A P > + 0 0 0 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.414 50.0 178.5 -66.0 74.3 -31.5 -23.8 24.7 36 41 A Q T >> + 0 0 18 -2,-2.4 4,-1.9 1,-0.3 3,-1.4 0.715 66.3 77.6 -53.1 -28.1 -30.9 -27.6 23.9 37 42 A E H 3> S+ 0 0 2 1,-0.3 4,-1.0 2,-0.2 -1,-0.3 0.811 85.8 62.7 -52.8 -33.0 -33.6 -28.6 26.4 38 43 A L H <4 S+ 0 0 2 -3,-2.0 -1,-0.3 1,-0.2 4,-0.2 0.778 109.9 36.4 -68.0 -28.6 -36.3 -27.6 23.9 39 44 A A H X4>S+ 0 0 5 -3,-1.4 5,-1.7 -4,-0.3 3,-1.2 0.783 107.9 62.5 -94.0 -31.9 -35.3 -30.2 21.3 40 45 A E H ><5S+ 0 0 29 -4,-1.9 3,-1.1 1,-0.3 -2,-0.2 0.746 92.7 67.3 -65.3 -23.6 -34.3 -33.1 23.7 41 46 A V T 3<5S+ 0 0 10 -4,-1.0 -1,-0.3 1,-0.3 -2,-0.1 0.800 104.6 43.2 -66.9 -26.9 -37.9 -33.2 24.9 42 47 A F T < 5S- 0 0 5 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.2 0.318 113.5-119.3 -96.8 6.0 -38.8 -34.4 21.4 43 48 A D T < 5 + 0 0 90 -3,-1.1 2,-0.2 1,-0.2 -3,-0.2 0.875 54.1 171.2 54.7 41.4 -35.9 -36.8 21.2 44 49 A L < - 0 0 12 -5,-1.7 2,-0.4 1,-0.1 -1,-0.2 -0.560 37.8-118.7 -83.6 143.3 -34.6 -35.0 18.1 45 50 A N E -a 27 0A 29 -19,-0.7 -17,-1.8 -2,-0.2 2,-0.4 -0.699 39.1-177.5 -75.9 127.7 -31.2 -35.6 16.5 46 51 A V E -a 28 0A 32 -2,-0.4 2,-0.2 -19,-0.2 -17,-0.2 -0.991 9.6-170.7-137.1 129.5 -29.1 -32.4 16.7 47 52 A L E -a 29 0A 7 -19,-3.0 -17,-2.1 -2,-0.4 52,-0.0 -0.752 16.6-132.2-117.4 165.3 -25.6 -31.5 15.3 48 53 A Y >> - 0 0 14 -2,-0.2 4,-1.9 -19,-0.2 3,-1.2 -0.878 6.3-163.4-129.5 101.8 -23.2 -28.5 15.7 49 54 A P H 3> S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.794 94.0 59.0 -48.5 -37.9 -21.4 -26.7 12.8 50 55 A E H 3> S+ 0 0 27 -20,-0.4 4,-1.5 2,-0.2 5,-0.2 0.886 107.3 46.4 -60.2 -40.6 -19.0 -25.1 15.3 51 56 A N H <> S+ 0 0 37 -3,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.938 111.5 50.9 -67.7 -45.8 -17.8 -28.5 16.5 52 57 A Q H X S+ 0 0 1 -4,-1.9 4,-2.5 1,-0.2 5,-0.3 0.914 109.1 50.6 -57.0 -46.4 -17.5 -29.9 12.9 53 58 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.889 110.9 47.5 -64.2 -41.7 -15.4 -27.0 11.7 54 59 A A H X S+ 0 0 12 -4,-1.5 4,-1.8 -5,-0.2 -1,-0.2 0.891 112.7 52.1 -63.7 -38.7 -12.9 -27.3 14.6 55 60 A G H X S+ 0 0 24 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.912 112.1 42.0 -64.8 -45.4 -12.7 -31.0 14.1 56 61 A V H <>S+ 0 0 3 -4,-2.5 5,-2.2 1,-0.2 6,-0.4 0.840 111.7 58.6 -72.5 -29.5 -11.9 -30.8 10.4 57 62 A A H ><5S+ 0 0 0 -4,-1.9 3,-1.6 -5,-0.3 5,-0.2 0.883 100.6 54.2 -65.1 -41.1 -9.5 -27.9 11.1 58 63 A A H 3<5S+ 0 0 44 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.774 106.3 53.5 -66.0 -26.1 -7.4 -30.0 13.5 59 64 A K T 3<5S- 0 0 124 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.246 119.1-112.4 -90.8 10.5 -7.0 -32.6 10.7 60 65 A K T < 5S+ 0 0 132 -3,-1.6 -3,-0.2 1,-0.1 -2,-0.1 0.836 88.4 111.1 63.9 37.7 -5.7 -29.9 8.3 61 66 A G >< + 0 0 24 -5,-2.2 4,-0.6 2,-0.1 -4,-0.2 0.307 47.9 86.1-119.5 7.8 -8.7 -30.0 6.0 62 67 A S H > S+ 0 0 2 -6,-0.4 4,-2.1 -5,-0.2 3,-0.3 0.810 75.7 66.0 -81.3 -31.6 -10.4 -26.7 6.7 63 68 A L H > S+ 0 0 61 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.845 98.3 55.8 -59.6 -34.1 -8.4 -24.5 4.2 64 69 A E H > S+ 0 0 129 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.882 109.0 45.2 -67.8 -41.5 -9.9 -26.3 1.2 65 70 A L H X S+ 0 0 5 -4,-0.6 4,-1.7 -3,-0.3 3,-0.3 0.891 109.9 54.5 -67.9 -43.6 -13.5 -25.6 2.3 66 71 A C H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.915 106.6 52.5 -56.4 -43.0 -12.8 -22.0 3.1 67 72 A E H X S+ 0 0 88 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.792 105.1 55.2 -68.4 -27.3 -11.4 -21.5 -0.4 68 73 A I H X S+ 0 0 45 -4,-1.0 4,-0.7 -3,-0.3 -1,-0.2 0.877 110.0 45.8 -67.7 -39.1 -14.6 -23.0 -1.9 69 74 A A H <>S+ 0 0 0 -4,-1.7 5,-2.1 1,-0.2 4,-0.4 0.844 110.7 53.5 -73.7 -33.8 -16.8 -20.4 -0.1 70 75 A E H ><5S+ 0 0 49 -4,-2.0 3,-1.0 1,-0.2 -2,-0.2 0.864 104.8 54.0 -69.1 -36.0 -14.4 -17.6 -1.1 71 76 A S H 3<5S+ 0 0 109 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.714 103.8 57.7 -70.9 -19.7 -14.7 -18.6 -4.8 72 77 A K T 3<5S- 0 0 56 -4,-0.7 -1,-0.2 -3,-0.2 -2,-0.2 0.567 131.9 -92.0 -82.6 -12.7 -18.5 -18.3 -4.4 73 78 A G T < 5S+ 0 0 22 -3,-1.0 2,-0.5 -4,-0.4 -3,-0.2 0.439 78.3 139.3 118.7 2.6 -18.1 -14.7 -3.2 74 79 A Y < - 0 0 4 -5,-2.1 -1,-0.3 658,-0.1 -2,-0.1 -0.680 52.6-119.8 -83.5 126.5 -17.8 -14.8 0.6 75 80 A S > - 0 0 40 -2,-0.5 3,-1.9 654,-0.2 -1,-0.1 -0.324 7.9-129.2 -68.8 141.4 -15.2 -12.4 2.0 76 81 A I T 3 S+ 0 0 84 1,-0.3 -1,-0.1 -2,-0.1 7,-0.1 0.683 102.8 76.6 -62.1 -17.4 -12.2 -13.7 4.0 77 82 A D T 3 S+ 0 0 2 648,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.723 78.8 94.3 -63.1 -21.7 -13.2 -11.0 6.6 78 83 A L S < S- 0 0 1 -3,-1.9 5,-0.1 1,-0.1 263,-0.1 -0.254 95.1 -74.6 -74.5 159.7 -16.0 -13.3 7.8 79 84 A C > - 0 0 22 1,-0.1 4,-1.8 261,-0.1 3,-0.5 -0.263 36.9-132.7 -56.4 135.3 -15.8 -15.9 10.7 80 85 A A H > S+ 0 0 0 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.762 106.0 57.4 -63.6 -29.6 -13.8 -19.0 9.7 81 86 A Y H > S+ 0 0 27 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.892 107.8 49.8 -65.8 -40.1 -16.4 -21.3 11.2 82 87 A A H > S+ 0 0 0 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.898 112.3 45.1 -63.9 -45.7 -18.9 -19.7 8.8 83 88 A R H X S+ 0 0 5 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.925 110.9 53.0 -68.1 -43.9 -16.7 -20.1 5.7 84 89 A T H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.912 112.0 47.7 -53.8 -42.7 -15.8 -23.7 6.5 85 90 A N H X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.899 107.5 53.7 -69.6 -41.8 -19.5 -24.4 6.8 86 91 A F H X S+ 0 0 10 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.892 110.0 49.0 -59.1 -40.3 -20.4 -22.7 3.5 87 92 A G H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 6,-0.3 0.876 106.1 56.7 -65.8 -39.4 -17.8 -24.8 1.7 88 93 A L H X>S+ 0 0 5 -4,-1.7 5,-2.1 -5,-0.2 4,-0.8 0.913 109.4 45.5 -57.8 -46.0 -19.1 -28.0 3.3 89 94 A L H ><5S+ 0 0 51 -4,-1.9 3,-0.5 2,-0.2 -1,-0.2 0.923 115.1 46.6 -64.8 -44.7 -22.6 -27.4 1.9 90 95 A E H 3<5S+ 0 0 107 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.896 113.1 49.1 -66.1 -39.7 -21.4 -26.5 -1.5 91 96 A N H 3<5S- 0 0 81 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.605 110.9-120.6 -75.9 -13.2 -19.0 -29.4 -1.7 92 97 A G T <<5S- 0 0 70 -4,-0.8 2,-0.2 -3,-0.5 -3,-0.2 0.698 71.7 -42.3 78.5 20.6 -21.7 -31.8 -0.6 93 98 A G < - 0 0 9 -5,-2.1 2,-0.3 -6,-0.3 5,-0.1 -0.748 64.5-107.8 125.3-173.6 -19.8 -32.9 2.4 94 99 A C - 0 0 20 -2,-0.2 5,-0.1 5,-0.1 -6,-0.0 -0.952 9.1-133.2-151.1 173.7 -16.2 -33.8 3.3 95 100 A E S S+ 0 0 192 -2,-0.3 3,-0.3 2,-0.1 -1,-0.1 0.693 94.7 62.4-107.2 -22.2 -14.2 -36.9 4.2 96 101 A A S S- 0 0 41 1,-0.3 -1,-0.1 -35,-0.1 2,-0.1 0.792 132.7 -4.1 -75.7 -26.8 -12.1 -36.0 7.2 97 102 A L S S- 0 0 40 2,-0.0 -1,-0.3 -41,-0.0 -2,-0.1 -0.520 83.5-170.6-165.1 90.4 -15.3 -35.5 9.2 98 103 A D + 0 0 67 -3,-0.3 -3,-0.1 -2,-0.1 -5,-0.1 -0.375 6.7 176.7 -85.9 160.5 -18.6 -35.8 7.3 99 104 A M - 0 0 9 -2,-0.1 -5,-0.1 -5,-0.1 -84,-0.0 -0.937 30.2-103.1-162.2 145.8 -22.1 -35.0 8.4 100 105 A P - 0 0 13 0, 0.0 -7,-0.1 0, 0.0 -82,-0.0 -0.283 41.0 -98.8 -70.3 151.9 -25.6 -35.0 6.8 101 106 A A - 0 0 51 1,-0.1 -74,-0.2 -9,-0.1 2,-0.2 -0.300 46.1-110.4 -64.8 154.3 -27.5 -31.9 5.6 102 107 A P - 0 0 7 0, 0.0 -74,-0.2 0, 0.0 -1,-0.1 -0.497 16.9-159.6 -94.1 158.2 -30.1 -30.5 8.0 103 108 A D S S+ 0 0 63 -76,-3.9 2,-0.3 1,-0.3 -75,-0.2 0.489 82.6 13.2-105.7 -12.3 -33.9 -30.3 7.9 104 109 A F E -b 28 0A 0 -77,-1.1 -75,-1.9 24,-0.2 2,-0.3 -0.982 68.2-132.4-158.8 165.5 -34.2 -27.5 10.4 105 110 A L E -bc 29 130A 0 24,-2.1 26,-2.4 -2,-0.3 2,-0.5 -0.943 4.0-161.0-129.7 142.0 -32.1 -24.8 12.3 106 111 A L E -bc 30 131A 3 -77,-2.3 -75,-1.9 -2,-0.3 2,-0.4 -0.941 18.8-178.1-125.6 109.6 -31.7 -23.6 15.9 107 112 A C E + c 0 132A 0 24,-3.0 26,-2.6 -2,-0.5 2,-0.4 -0.912 12.9 169.4-119.2 128.1 -30.1 -20.1 16.4 108 113 A C E > - c 0 133A 0 -2,-0.4 3,-0.6 24,-0.2 -75,-0.2 -0.990 20.7-154.5-133.6 127.7 -29.3 -18.1 19.6 109 114 A N T 3 + 0 0 6 24,-0.9 25,-0.1 -2,-0.4 -75,-0.0 -0.100 63.6 108.6 -94.4 34.6 -27.2 -14.9 19.5 110 115 A N T 3 S+ 0 0 1 1,-0.1 -1,-0.2 -77,-0.1 3,-0.1 0.818 85.4 45.0 -74.8 -27.7 -25.8 -15.0 23.1 111 116 A I S < S- 0 0 16 -3,-0.6 2,-0.3 1,-0.3 -1,-0.1 0.830 132.2 -40.9 -82.8 -34.4 -22.4 -15.9 21.7 112 117 A C - 0 0 24 -4,-0.2 -1,-0.3 1,-0.1 4,-0.1 -0.962 44.2-111.8-177.4 171.6 -22.4 -13.3 18.8 113 118 A N S >> S+ 0 0 22 -2,-0.3 3,-1.4 1,-0.1 4,-0.8 0.629 98.7 80.2 -94.6 -16.7 -24.5 -11.7 16.1 114 119 A Q H 3> S+ 0 0 9 1,-0.3 4,-2.1 2,-0.2 3,-0.5 0.842 83.1 65.3 -57.1 -32.6 -22.7 -13.2 13.1 115 120 A V H 3> S+ 0 0 4 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.757 93.4 62.9 -64.6 -22.6 -24.6 -16.4 13.6 116 121 A I H <> S+ 0 0 7 -3,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.922 108.4 38.0 -64.4 -47.7 -27.8 -14.5 12.7 117 122 A K H X S+ 0 0 18 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