==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-DEC-12 4IFZ . COMPND 2 MOLECULE: THIAMINE BIOSYNTHESIS LIPOPROTEIN APBE; . SOURCE 2 ORGANISM_SCIENTIFIC: TREPONEMA PALLIDUM SUBSP. PALLIDUM; . AUTHOR D.R.TOMCHICK,C.A.BRAUTIGAM,R.K.DEKA,M.V.NORGARD . 330 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15840.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 238 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 22.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 . 23 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 0 0 0 1 2 0 0 0 1 0 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 . 1 1 4 1 4 2 0 0 1 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 2 0 0 0 0 0 1 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 5 A A 0 0 129 0, 0.0 2,-0.2 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 124.8 54.7 55.1 -17.2 2 6 A R - 0 0 159 22,-0.1 2,-0.4 1,-0.0 21,-0.0 -0.614 360.0-118.7-108.0 151.9 56.0 51.9 -15.4 3 7 A V - 0 0 48 -2,-0.2 2,-0.3 19,-0.1 21,-0.2 -0.704 34.0-175.8 -82.9 132.4 54.5 49.4 -13.0 4 8 A R E -A 23 0A 84 19,-2.5 19,-2.5 -2,-0.4 2,-0.4 -0.931 17.1-140.1-130.2 154.4 56.4 49.2 -9.7 5 9 A E E -A 22 0A 108 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.955 21.8-179.7-118.2 132.7 55.9 46.9 -6.7 6 10 A Y E +A 21 0A 44 15,-2.9 15,-3.0 -2,-0.4 2,-0.3 -0.933 6.7 179.7-130.4 150.9 56.2 48.1 -3.1 7 11 A S E +A 20 0A 68 -2,-0.3 2,-0.3 13,-0.3 13,-0.2 -0.980 1.2 178.9-150.5 141.4 55.9 46.5 0.3 8 12 A R E -A 19 0A 62 11,-1.9 11,-2.4 -2,-0.3 2,-0.3 -0.992 5.4-175.3-142.9 144.2 56.2 47.8 3.9 9 13 A A E +A 18 0A 36 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.995 5.0 171.2-143.2 144.1 55.8 45.9 7.2 10 14 A E E -A 17 0A 55 7,-2.3 7,-2.8 -2,-0.3 2,-0.6 -0.985 40.0-106.1-148.0 154.1 55.8 46.9 10.8 11 15 A L E +A 16 0A 133 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.767 63.1 137.5 -77.1 119.3 55.0 45.4 14.2 12 16 A V E > +A 15 0A 3 3,-2.7 3,-1.6 -2,-0.6 30,-0.1 -0.972 51.6 25.6-167.4 154.4 51.7 46.9 15.3 13 17 A I T 3 S- 0 0 39 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.839 130.9 -64.0 46.8 36.9 48.4 45.9 16.9 14 18 A G T 3 S+ 0 0 71 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.618 121.2 64.1 72.5 16.1 50.5 43.1 18.4 15 19 A T E < S-A 12 0A 40 -3,-1.6 -3,-2.7 -5,-0.1 2,-0.6 -0.914 93.4 -76.6-153.8 178.6 51.4 41.4 15.2 16 20 A L E -A 11 0A 87 -2,-0.3 169,-2.2 -5,-0.2 2,-0.5 -0.784 43.9-167.6 -87.8 123.1 53.3 41.8 11.9 17 21 A C E +AB 10 184A 0 -7,-2.8 -7,-2.3 -2,-0.6 2,-0.4 -0.950 8.6 177.3-114.8 130.6 51.4 43.9 9.4 18 22 A R E -AB 9 183A 108 165,-2.5 165,-2.9 -2,-0.5 2,-0.4 -0.981 13.0-169.1-136.3 136.4 52.4 44.1 5.8 19 23 A V E -AB 8 182A 0 -11,-2.4 -11,-1.9 -2,-0.4 2,-0.4 -0.997 4.2-169.3-128.4 129.0 51.0 45.8 2.8 20 24 A R E -AB 7 181A 64 161,-2.1 161,-2.2 -2,-0.4 2,-0.4 -0.941 10.8-175.0-116.0 133.9 52.2 45.1 -0.8 21 25 A V E -AB 6 180A 0 -15,-3.0 -15,-2.9 -2,-0.4 2,-0.5 -0.988 19.2-157.4-133.1 139.6 51.1 47.3 -3.6 22 26 A Y E +A 5 0A 20 157,-2.0 156,-0.4 -2,-0.4 2,-0.3 -0.989 33.7 158.0-109.4 133.0 51.5 47.3 -7.4 23 27 A S E -A 4 0A 8 -19,-2.5 -19,-2.5 -2,-0.5 154,-0.1 -0.999 48.1-157.6-156.7 149.3 51.1 50.7 -9.0 24 28 A K + 0 0 115 -2,-0.3 -22,-0.1 -21,-0.2 3,-0.1 0.337 69.3 108.0-100.4 0.3 51.8 53.0 -11.9 25 29 A R S S- 0 0 89 1,-0.2 5,-0.1 -21,-0.1 -2,-0.1 -0.341 90.3 -74.0 -73.3 159.7 51.3 56.1 -9.8 26 30 A P >> - 0 0 69 0, 0.0 3,-1.4 0, 0.0 4,-1.4 -0.277 44.0-120.2 -52.2 140.3 54.4 58.2 -8.9 27 31 A A H 3> S+ 0 0 48 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.852 112.7 60.6 -52.5 -38.5 56.4 56.5 -6.1 28 32 A A H 3> S+ 0 0 77 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.842 102.0 52.5 -61.0 -33.7 55.9 59.4 -3.8 29 33 A E H <> S+ 0 0 73 -3,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.877 111.3 46.2 -69.6 -37.5 52.1 58.9 -4.0 30 34 A V H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.920 111.0 52.1 -70.5 -44.0 52.5 55.2 -3.0 31 35 A H H X S+ 0 0 101 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.908 108.6 51.3 -56.6 -44.3 54.8 56.1 -0.2 32 36 A A H X S+ 0 0 42 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.914 109.6 50.3 -60.7 -42.0 52.3 58.6 1.1 33 37 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.939 112.2 46.1 -60.7 -48.7 49.6 56.0 1.0 34 38 A L H X S+ 0 0 10 -4,-2.7 4,-2.0 2,-0.2 5,-0.2 0.873 108.3 57.0 -64.9 -36.3 51.7 53.5 2.9 35 39 A E H X S+ 0 0 73 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.935 110.3 45.1 -53.7 -47.6 52.8 56.2 5.4 36 40 A E H X S+ 0 0 93 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.867 107.0 58.9 -70.4 -35.1 49.1 56.7 6.2 37 41 A V H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.944 111.1 41.2 -55.4 -47.3 48.3 52.9 6.4 38 42 A F H X S+ 0 0 3 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.863 112.6 53.2 -80.9 -27.1 50.8 52.5 9.2 39 43 A T H X S+ 0 0 57 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.2 0.934 109.2 51.5 -62.0 -44.7 49.8 55.7 11.0 40 44 A L H X S+ 0 0 31 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.865 108.1 50.9 -60.2 -41.0 46.2 54.4 10.9 41 45 A L H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.903 111.3 48.7 -65.7 -42.2 47.3 51.1 12.4 42 46 A Q H X S+ 0 0 92 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.920 114.3 44.9 -59.0 -47.1 49.1 53.0 15.2 43 47 A Q H >X S+ 0 0 118 -4,-2.7 3,-0.7 1,-0.2 4,-0.6 0.945 113.7 49.6 -64.2 -45.3 46.1 55.2 15.9 44 48 A Q H >X S+ 0 0 31 -4,-2.6 4,-2.8 1,-0.3 3,-0.7 0.808 99.7 63.8 -70.4 -27.1 43.6 52.3 15.8 45 49 A E H 3X S+ 0 0 32 -4,-1.8 4,-1.7 1,-0.2 -1,-0.3 0.916 103.9 50.9 -55.6 -38.9 45.7 50.2 18.2 46 50 A M H << S+ 0 0 67 -4,-1.0 10,-1.8 -3,-0.7 -1,-0.2 0.598 115.1 42.0 -78.3 -14.5 45.0 52.9 20.7 47 51 A V H << S+ 0 0 22 -3,-0.7 10,-1.9 -4,-0.6 -2,-0.2 0.869 124.7 28.0 -89.6 -47.9 41.2 52.8 20.0 48 52 A L H < S+ 0 0 9 -4,-2.8 108,-0.4 8,-0.2 -2,-0.2 0.574 80.5 121.5 -99.5 -15.2 40.6 49.1 19.8 49 53 A S < - 0 0 17 -4,-1.7 3,-0.5 -5,-0.3 9,-0.4 -0.274 37.8-167.9 -65.6 131.8 43.1 47.2 21.9 50 54 A A S S+ 0 0 18 1,-0.2 -1,-0.2 7,-0.1 -2,-0.0 0.608 85.0 53.9 -88.5 -12.9 41.7 45.0 24.6 51 55 A N S S+ 0 0 130 3,-0.0 2,-0.4 2,-0.0 -1,-0.2 -0.118 90.3 79.5-119.7 35.5 45.1 44.5 26.3 52 56 A R > - 0 0 84 -3,-0.5 3,-0.7 -7,-0.1 6,-0.2 -0.979 67.9-144.1-130.8 142.3 46.3 48.1 26.8 53 57 A D T 3 S+ 0 0 167 -2,-0.4 -1,-0.0 1,-0.2 -3,-0.0 0.601 95.3 57.8 -73.2 -17.9 45.0 50.2 29.8 54 58 A D T 3 S+ 0 0 96 4,-0.1 -1,-0.2 5,-0.0 2,-0.2 0.173 79.8 109.7-108.8 18.4 45.0 53.3 27.7 55 59 A S S <> S- 0 0 4 -3,-0.7 4,-2.3 -6,-0.2 -8,-0.3 -0.541 76.9-115.9 -94.6 161.6 42.8 52.5 24.8 56 60 A A H > S+ 0 0 43 -10,-1.8 4,-2.1 1,-0.2 -8,-0.2 0.887 118.7 54.7 -57.8 -38.4 39.3 53.9 24.0 57 61 A L H > S+ 0 0 0 -10,-1.9 4,-2.8 2,-0.2 97,-0.2 0.917 106.1 49.6 -63.0 -43.0 38.0 50.3 24.4 58 62 A A H > S+ 0 0 20 -9,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.929 110.0 52.5 -61.3 -43.8 39.5 50.0 27.9 59 63 A A H X S+ 0 0 56 -4,-2.3 4,-0.6 2,-0.2 -1,-0.2 0.897 110.0 47.8 -56.1 -45.6 37.9 53.4 28.8 60 64 A L H >< S+ 0 0 4 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.931 111.2 50.1 -62.8 -47.8 34.5 52.1 27.6 61 65 A N H >< S+ 0 0 6 -4,-2.8 3,-1.9 1,-0.2 -2,-0.2 0.856 102.4 62.5 -56.1 -36.8 35.0 48.8 29.6 62 66 A A H 3< S+ 0 0 79 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.743 101.0 54.3 -64.0 -20.6 35.9 51.0 32.7 63 67 A Q T X< S+ 0 0 87 -3,-1.2 3,-1.9 -4,-0.6 -1,-0.3 0.231 74.6 142.2 -98.7 12.1 32.4 52.4 32.4 64 68 A A T < S+ 0 0 21 -3,-1.9 87,-0.3 1,-0.3 84,-0.2 -0.338 73.7 18.7 -52.5 130.4 30.5 49.1 32.5 65 69 A G T 3 S+ 0 0 45 82,-3.2 -1,-0.3 1,-0.3 85,-0.1 0.550 114.9 85.5 83.6 10.1 27.3 49.5 34.5 66 70 A S S < S- 0 0 59 -3,-1.9 -1,-0.3 81,-0.4 3,-0.1 -0.304 86.4 -41.4-123.7-155.5 27.3 53.3 34.3 67 71 A A S S- 0 0 59 1,-0.1 -1,-0.2 -2,-0.1 80,-0.2 -0.320 71.4 -81.2 -78.5 158.3 26.1 56.0 31.9 68 72 A P - 0 0 60 0, 0.0 2,-0.4 0, 0.0 78,-0.2 -0.219 44.5-138.4 -56.1 147.7 26.4 55.8 28.0 69 73 A V E -I 145 0B 40 76,-2.6 76,-2.0 -3,-0.1 2,-0.3 -0.905 12.1-121.7-115.1 135.4 29.8 56.7 26.6 70 74 A V E +I 144 0B 103 -2,-0.4 2,-0.3 74,-0.2 74,-0.2 -0.596 36.3 179.5 -73.5 131.2 30.3 58.9 23.4 71 75 A V E -I 143 0B 20 72,-2.5 72,-0.6 -2,-0.3 2,-0.0 -0.891 31.9 -97.9-127.2 162.7 32.3 57.0 20.7 72 76 A D > - 0 0 83 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.359 39.9-107.4 -77.7 166.1 33.4 58.0 17.2 73 77 A R H > S+ 0 0 172 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.826 115.8 58.1 -66.6 -30.8 31.3 56.8 14.3 74 78 A S H > S+ 0 0 36 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.943 109.0 42.3 -63.9 -53.2 34.0 54.3 13.2 75 79 A L H > S+ 0 0 5 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.898 112.8 55.2 -60.5 -44.1 34.0 52.4 16.5 76 80 A Y H X S+ 0 0 17 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.928 107.9 48.7 -53.8 -45.6 30.2 52.6 16.7 77 81 A A H X S+ 0 0 34 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.859 110.0 51.4 -67.6 -35.0 29.9 51.0 13.3 78 82 A L H X S+ 0 0 2 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.922 110.5 48.6 -67.8 -43.2 32.3 48.2 14.2 79 83 A L H X S+ 0 0 2 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.923 109.0 54.1 -63.1 -41.7 30.3 47.4 17.4 80 84 A E H X S+ 0 0 107 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.899 111.5 44.4 -53.7 -47.2 27.1 47.4 15.4 81 85 A R H X S+ 0 0 77 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.872 111.6 53.1 -71.0 -36.9 28.5 44.8 13.0 82 86 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.918 109.8 48.0 -62.9 -44.4 29.9 42.7 15.8 83 87 A L H X S+ 0 0 29 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.869 108.0 56.4 -65.5 -35.9 26.5 42.6 17.6 84 88 A F H X S+ 0 0 76 -4,-1.8 4,-2.8 -5,-0.2 5,-0.2 0.946 110.2 43.6 -57.7 -47.8 24.9 41.6 14.2 85 89 A F H X S+ 0 0 2 -4,-2.1 4,-2.0 2,-0.2 8,-0.3 0.866 110.3 56.3 -69.3 -34.2 27.3 38.6 14.0 86 90 A A H <>S+ 0 0 0 -4,-2.4 5,-3.3 2,-0.2 6,-0.3 0.952 112.5 42.1 -56.3 -47.5 26.7 37.8 17.6 87 91 A E H ><5S+ 0 0 97 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.949 115.5 47.6 -69.2 -48.1 22.9 37.6 17.0 88 92 A K H 3<5S+ 0 0 81 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.826 115.1 46.6 -63.1 -31.3 23.2 35.8 13.7 89 93 A S T ><5S- 0 0 10 -4,-2.0 3,-1.4 -5,-0.2 -1,-0.3 0.333 112.5-117.4 -92.3 5.9 25.6 33.2 15.1 90 94 A G T < 5S- 0 0 63 -3,-1.5 -3,-0.2 1,-0.3 -4,-0.1 0.875 75.1 -54.2 60.0 35.4 23.5 32.7 18.3 91 95 A G T 3 - 0 0 22 -2,-0.5 3,-0.7 61,-0.1 64,-0.1 -0.904 23.7-168.4-140.2 109.6 30.5 37.1 21.1 95 99 A P T 3 S+ 0 0 4 0, 0.0 60,-2.2 0, 0.0 3,-0.2 0.419 86.1 62.4 -80.1 1.6 32.3 40.5 21.3 96 100 A A T 3 + 0 0 0 30,-0.3 57,-0.5 58,-0.2 3,-0.4 -0.165 67.2 110.0-115.6 38.1 31.5 40.9 25.0 97 101 A L X> + 0 0 15 -3,-0.7 4,-2.6 58,-0.4 3,-1.1 0.293 36.6 113.2 -99.3 10.3 33.5 37.9 26.2 98 102 A G H 3> + 0 0 1 55,-2.2 4,-2.2 1,-0.3 5,-0.2 0.810 67.6 62.7 -54.7 -34.2 36.3 39.9 27.9 99 103 A A H 3> S+ 0 0 7 -3,-0.4 4,-0.5 54,-0.4 -1,-0.3 0.909 114.9 34.0 -61.5 -35.4 35.4 38.7 31.4 100 104 A V H <> S+ 0 0 0 -3,-1.1 4,-2.1 22,-0.2 3,-0.5 0.895 115.6 53.4 -84.0 -44.5 36.2 35.1 30.3 101 105 A V H X S+ 0 0 22 -4,-2.6 4,-3.7 1,-0.2 -3,-0.2 0.943 107.1 53.7 -58.7 -44.6 39.1 35.8 27.9 102 106 A K H X S+ 0 0 80 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.782 107.0 52.3 -62.2 -29.4 40.9 37.8 30.5 103 107 A L H X S+ 0 0 39 -4,-0.5 4,-0.6 -3,-0.5 -1,-0.2 0.887 115.1 39.9 -72.3 -42.8 40.7 34.9 33.0 104 108 A W H >X S+ 0 0 4 -4,-2.1 4,-1.4 2,-0.2 3,-1.3 0.943 106.8 67.3 -67.6 -46.5 42.1 32.5 30.4 105 109 A N H >X S+ 0 0 30 -4,-3.7 4,-1.6 1,-0.3 3,-0.7 0.849 98.8 48.1 -41.0 -56.9 44.7 35.1 29.2 106 110 A I H 3X S+ 0 0 110 -4,-1.2 4,-2.2 1,-0.3 -1,-0.3 0.821 104.6 63.4 -59.4 -29.0 46.6 35.1 32.5 107 111 A G H <<>S+ 0 0 2 -3,-1.3 5,-1.1 -4,-0.6 -1,-0.3 0.938 101.9 51.6 -53.9 -46.1 46.5 31.4 32.2 108 112 A F H <<5S+ 0 0 29 -4,-1.4 3,-0.3 -3,-0.7 -2,-0.2 0.980 110.3 44.3 -56.7 -65.4 48.6 31.8 29.0 109 113 A D H <5S+ 0 0 144 -4,-1.6 2,-0.7 1,-0.3 -2,-0.2 0.936 129.6 27.5 -45.1 -63.2 51.3 34.0 30.5 110 114 A R T <5S- 0 0 217 -4,-2.2 2,-2.3 -5,-0.1 -1,-0.3 -0.898 104.8-117.8-104.6 106.3 51.6 31.8 33.6 111 115 A A T 5 + 0 0 43 -2,-0.7 2,-0.4 -3,-0.3 -3,-0.2 -0.064 67.1 128.8 -53.1 68.8 50.5 28.3 32.3 112 116 A A < - 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