==== 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 4IFX . 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) . 15863.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 236 71.5 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 . 25 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 26.7 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 0 122 0, 0.0 2,-0.3 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 128.4 54.6 53.0 -16.9 2 6 A R - 0 0 166 22,-0.1 2,-0.4 1,-0.0 21,-0.0 -0.655 360.0-116.0-102.0 148.0 56.1 49.8 -15.4 3 7 A V - 0 0 46 -2,-0.3 2,-0.3 19,-0.1 21,-0.2 -0.678 33.8-174.1 -79.5 137.2 54.7 47.4 -12.9 4 8 A R E -A 23 0A 83 19,-2.6 19,-2.5 -2,-0.4 2,-0.4 -0.921 16.4-138.6-133.6 147.0 56.6 47.2 -9.7 5 9 A E E -A 22 0A 108 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.945 22.9-178.1-109.1 133.1 56.1 44.9 -6.8 6 10 A Y E -A 21 0A 43 15,-2.9 15,-2.7 -2,-0.4 2,-0.3 -0.932 8.2-178.7-132.5 148.6 56.3 46.1 -3.1 7 11 A S E +A 20 0A 67 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.981 2.1 177.4-143.8 145.3 56.0 44.5 0.3 8 12 A R E -A 19 0A 62 11,-1.8 11,-2.4 -2,-0.3 2,-0.3 -0.989 6.5-178.3-144.0 141.3 56.2 45.9 3.9 9 13 A A E +A 18 0A 37 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.998 4.3 169.4-144.1 144.8 55.7 44.1 7.1 10 14 A E E -A 17 0A 55 7,-2.2 7,-2.7 -2,-0.3 2,-0.6 -0.976 40.5-103.8-146.2 158.2 55.7 45.0 10.8 11 15 A L E +A 16 0A 135 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.773 62.5 135.1 -82.0 120.4 54.9 43.6 14.2 12 16 A V E > +A 15 0A 3 3,-2.7 3,-2.0 -2,-0.6 30,-0.1 -0.965 53.9 28.2-166.4 154.8 51.6 45.1 15.2 13 17 A I T 3 S- 0 0 37 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.819 131.0 -64.6 49.1 38.2 48.3 43.9 16.7 14 18 A G T 3 S+ 0 0 69 1,-0.2 -1,-0.3 -3,-0.0 2,-0.3 0.545 120.0 60.8 72.0 11.3 50.4 41.2 18.4 15 19 A T E < S-A 12 0A 42 -3,-2.0 -3,-2.7 -5,-0.1 2,-0.6 -0.892 94.1 -70.9-152.7-176.7 51.4 39.5 15.1 16 20 A L E -A 11 0A 91 -2,-0.3 169,-2.4 -5,-0.2 2,-0.5 -0.773 43.6-169.7 -89.2 119.7 53.2 39.8 11.8 17 21 A C E +AB 10 184A 0 -7,-2.7 -7,-2.2 -2,-0.6 2,-0.4 -0.953 9.5 174.1-114.5 127.3 51.3 42.0 9.4 18 22 A R E -AB 9 183A 101 165,-2.9 165,-2.8 -2,-0.5 2,-0.4 -0.978 14.0-168.4-133.1 140.6 52.5 42.2 5.8 19 23 A V E -AB 8 182A 0 -11,-2.4 -11,-1.8 -2,-0.4 2,-0.4 -0.995 3.9-166.9-130.2 132.5 51.1 43.8 2.7 20 24 A R E -AB 7 181A 66 161,-2.3 161,-2.5 -2,-0.4 2,-0.4 -0.936 11.0-173.2-118.4 135.6 52.3 43.1 -0.8 21 25 A V E -AB 6 180A 0 -15,-2.7 -15,-2.9 -2,-0.4 2,-0.5 -0.984 18.5-159.7-131.8 137.9 51.2 45.4 -3.7 22 26 A Y E +A 5 0A 23 157,-2.0 156,-0.4 -2,-0.4 2,-0.3 -0.990 34.0 154.9-108.6 131.0 51.7 45.3 -7.5 23 27 A S E -A 4 0A 6 -19,-2.5 -19,-2.6 -2,-0.5 154,-0.1 -1.000 48.8-155.8-154.3 152.8 51.2 48.7 -9.1 24 28 A K + 0 0 106 -2,-0.3 -22,-0.1 -21,-0.2 3,-0.1 0.345 68.9 109.6-102.0 0.9 52.1 50.9 -12.0 25 29 A R S S- 0 0 96 1,-0.2 5,-0.1 -21,-0.1 -2,-0.1 -0.336 88.8 -75.5 -65.5 160.0 51.5 54.1 -9.9 26 30 A P >> - 0 0 72 0, 0.0 4,-1.5 0, 0.0 3,-1.2 -0.214 43.4-120.9 -55.1 141.0 54.5 56.2 -9.0 27 31 A A H 3> S+ 0 0 46 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.860 111.1 61.7 -55.7 -35.1 56.4 54.5 -6.2 28 32 A A H 3> S+ 0 0 76 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.840 102.6 53.0 -61.7 -31.3 56.0 57.5 -3.9 29 33 A E H <> S+ 0 0 72 -3,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.890 110.3 46.0 -72.5 -35.8 52.2 56.9 -4.1 30 34 A V H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.935 111.2 52.1 -67.4 -44.2 52.6 53.3 -3.1 31 35 A H H X S+ 0 0 99 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.927 109.0 50.9 -56.2 -45.0 54.9 54.1 -0.3 32 36 A A H X S+ 0 0 42 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.909 109.9 50.1 -62.5 -42.7 52.4 56.7 1.0 33 37 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.925 111.4 47.4 -57.9 -46.6 49.7 54.1 0.9 34 38 A L H X S+ 0 0 9 -4,-2.5 4,-2.0 2,-0.2 5,-0.2 0.881 107.5 56.7 -66.9 -35.3 51.8 51.6 2.9 35 39 A E H X S+ 0 0 73 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.948 110.3 46.3 -53.0 -45.3 52.7 54.2 5.4 36 40 A E H X S+ 0 0 92 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.883 106.1 57.6 -70.9 -35.4 49.0 54.7 6.0 37 41 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.944 112.2 41.3 -53.6 -50.0 48.3 51.0 6.2 38 42 A F H X S+ 0 0 3 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.825 113.2 52.2 -82.2 -23.7 50.8 50.6 9.1 39 43 A T H X S+ 0 0 55 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.926 108.3 53.1 -65.2 -41.8 49.7 53.8 10.8 40 44 A L H X S+ 0 0 23 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.900 107.9 50.6 -55.2 -46.2 46.1 52.5 10.6 41 45 A L H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.906 111.1 48.4 -65.4 -40.7 47.2 49.2 12.3 42 46 A Q H X S+ 0 0 97 -4,-1.8 4,-1.3 1,-0.2 -2,-0.2 0.939 113.1 47.4 -64.7 -43.6 49.0 51.1 15.1 43 47 A Q H < S+ 0 0 118 -4,-2.7 4,-0.5 1,-0.2 -2,-0.2 0.913 113.0 48.3 -64.0 -41.3 46.0 53.4 15.7 44 48 A Q H >X S+ 0 0 22 -4,-2.4 4,-3.0 1,-0.2 3,-0.8 0.795 98.6 65.4 -76.7 -24.1 43.5 50.5 15.7 45 49 A E H 3X S+ 0 0 35 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.926 104.3 50.5 -56.1 -38.2 45.6 48.4 18.1 46 50 A M H 3< S+ 0 0 71 -4,-1.3 10,-2.2 1,-0.2 -1,-0.2 0.618 114.6 42.4 -80.4 -9.6 44.7 51.2 20.5 47 51 A V H <4 S+ 0 0 20 -3,-0.8 10,-2.1 -4,-0.5 -2,-0.2 0.854 126.2 25.5 -89.1 -51.1 41.0 51.0 19.7 48 52 A L H < S+ 0 0 10 -4,-3.0 108,-0.5 8,-0.2 -2,-0.2 0.601 79.8 123.3-100.3 -15.7 40.4 47.2 19.6 49 53 A S < - 0 0 17 -4,-1.8 9,-0.4 -5,-0.3 3,-0.3 -0.304 34.3-171.6 -68.4 127.6 42.9 45.5 21.8 50 54 A A S S+ 0 0 18 1,-0.2 -1,-0.2 7,-0.1 -2,-0.0 0.420 85.0 56.2 -86.7 -4.7 41.5 43.2 24.6 51 55 A N S S+ 0 0 134 2,-0.0 2,-0.4 0, 0.0 -1,-0.2 0.074 92.1 73.4-124.5 31.7 45.1 42.7 26.0 52 56 A R > - 0 0 84 -3,-0.3 3,-0.5 -7,-0.1 6,-0.2 -0.973 69.0-143.2-126.3 149.1 46.3 46.3 26.7 53 57 A D T 3 S+ 0 0 162 -2,-0.4 -1,-0.0 1,-0.2 -3,-0.0 0.557 95.1 59.0 -77.0 -19.5 44.9 48.4 29.5 54 58 A D T 3 S+ 0 0 96 4,-0.1 -1,-0.2 5,-0.0 2,-0.1 0.232 79.8 108.9-105.8 10.2 45.0 51.6 27.5 55 59 A S S <> S- 0 0 3 -3,-0.5 4,-2.1 -6,-0.2 -8,-0.2 -0.488 77.0-115.4 -84.3 163.4 42.7 50.7 24.6 56 60 A A H > S+ 0 0 44 -10,-2.2 4,-2.2 1,-0.2 -8,-0.2 0.926 118.7 52.2 -56.8 -41.7 39.2 52.0 23.8 57 61 A L H > S+ 0 0 0 -10,-2.1 4,-2.8 2,-0.2 97,-0.2 0.885 107.2 51.3 -63.2 -42.2 37.8 48.5 24.3 58 62 A A H > S+ 0 0 21 -9,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.909 110.1 50.1 -62.1 -39.9 39.5 48.2 27.7 59 63 A A H X S+ 0 0 60 -4,-2.1 4,-0.6 2,-0.2 -2,-0.2 0.910 110.6 49.8 -66.1 -41.4 37.9 51.5 28.7 60 64 A L H >< S+ 0 0 2 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.929 111.0 49.7 -58.1 -49.5 34.5 50.2 27.5 61 65 A N H >< S+ 0 0 14 -4,-2.8 3,-1.2 1,-0.2 -1,-0.2 0.804 100.6 62.2 -57.4 -33.2 35.0 47.0 29.5 62 66 A A H 3< S+ 0 0 86 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.728 103.7 54.0 -74.8 -6.4 36.0 49.0 32.7 63 67 A Q T X< S+ 0 0 91 -3,-1.3 3,-1.7 -4,-0.6 -1,-0.2 0.222 74.2 139.6-107.1 7.4 32.3 50.4 32.4 64 68 A A T < S+ 0 0 24 -3,-1.2 87,-0.3 1,-0.2 84,-0.2 -0.320 70.3 23.2 -50.6 136.9 30.3 47.1 32.3 65 69 A G T 3 S+ 0 0 45 82,-2.7 -1,-0.2 1,-0.3 85,-0.2 0.438 116.2 77.2 81.3 1.3 27.1 47.3 34.4 66 70 A S S < S- 0 0 59 -3,-1.7 -1,-0.3 81,-0.3 -3,-0.1 -0.140 86.8 -30.6-114.3-139.7 27.0 51.0 34.2 67 71 A A - 0 0 52 1,-0.2 80,-0.3 -3,-0.1 -1,-0.2 -0.193 69.0 -81.3 -83.6 159.5 26.0 53.8 31.7 68 72 A P - 0 0 67 0, 0.0 2,-0.4 0, 0.0 78,-0.2 -0.326 44.4-145.7 -59.3 145.7 26.2 53.9 27.8 69 73 A V E -I 145 0B 35 76,-2.9 76,-2.1 -2,-0.0 2,-0.3 -0.909 11.7-122.3-116.9 135.2 29.6 54.7 26.4 70 74 A V E +I 144 0B 101 -2,-0.4 2,-0.3 74,-0.2 74,-0.2 -0.627 34.9 177.0 -77.6 135.5 30.3 56.8 23.2 71 75 A V E -I 143 0B 16 72,-2.7 72,-0.7 -2,-0.3 2,-0.0 -0.891 34.4 -96.2-132.2 154.7 32.3 55.0 20.6 72 76 A D > - 0 0 79 -2,-0.3 4,-2.4 1,-0.1 5,-0.1 -0.343 40.1-107.3 -70.4 161.0 33.4 55.9 17.1 73 77 A R H > S+ 0 0 205 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.815 116.4 58.8 -60.9 -30.7 31.2 54.8 14.2 74 78 A S H > S+ 0 0 28 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.930 108.3 42.1 -62.6 -52.1 33.9 52.2 13.2 75 79 A L H > S+ 0 0 3 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.901 113.2 55.1 -63.7 -42.9 33.9 50.3 16.4 76 80 A Y H X S+ 0 0 19 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.950 108.0 47.8 -55.3 -44.1 30.1 50.5 16.6 77 81 A A H X S+ 0 0 48 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.865 111.0 52.3 -67.7 -39.6 29.8 48.9 13.1 78 82 A L H X S+ 0 0 3 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.928 110.7 47.7 -61.5 -43.9 32.3 46.2 14.2 79 83 A L H X S+ 0 0 2 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.931 109.7 53.1 -65.1 -42.4 30.3 45.4 17.3 80 84 A E H X S+ 0 0 107 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.928 111.4 45.3 -56.1 -44.6 27.1 45.4 15.3 81 85 A R H X S+ 0 0 71 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.913 112.3 52.4 -69.8 -39.5 28.6 42.8 12.9 82 86 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.908 109.4 47.2 -63.2 -41.4 29.9 40.7 15.7 83 87 A L H X S+ 0 0 27 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.868 108.3 58.4 -68.9 -33.1 26.6 40.6 17.5 84 88 A F H X S+ 0 0 74 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.955 109.8 42.7 -56.3 -47.4 25.0 39.6 14.1 85 89 A F H X S+ 0 0 3 -4,-2.3 4,-2.2 1,-0.2 8,-0.3 0.859 110.0 56.6 -73.8 -28.9 27.3 36.6 13.9 86 90 A A H <>S+ 0 0 0 -4,-2.1 5,-2.9 -5,-0.2 6,-0.3 0.950 112.0 43.4 -62.7 -48.9 26.8 35.7 17.5 87 91 A E H ><5S+ 0 0 97 -4,-2.4 3,-1.5 3,-0.2 -2,-0.2 0.948 115.5 47.2 -61.2 -51.0 23.0 35.5 16.9 88 92 A K H 3<5S+ 0 0 81 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.848 113.7 47.6 -64.3 -34.8 23.3 33.6 13.6 89 93 A S T ><5S- 0 0 10 -4,-2.2 3,-1.5 -5,-0.2 -1,-0.3 0.267 112.4-115.2 -85.7 2.3 25.8 31.1 15.0 90 94 A G T < 5S- 0 0 63 -3,-1.5 -3,-0.2 1,-0.3 -4,-0.1 0.824 74.8 -55.0 70.1 26.0 23.7 30.5 18.1 91 95 A G T 3 - 0 0 21 -2,-0.5 3,-0.6 61,-0.1 -11,-0.1 -0.936 23.8-169.3-138.4 113.4 30.6 35.1 21.1 95 99 A P T 3 S+ 0 0 1 0, 0.0 60,-2.3 0, 0.0 3,-0.1 0.376 86.7 62.4 -86.0 3.3 32.2 38.6 21.2 96 100 A A T 3 S+ 0 0 0 30,-0.3 57,-0.4 58,-0.2 3,-0.4 -0.180 70.1 109.1-116.5 39.2 31.4 39.0 24.9 97 101 A L X> + 0 0 15 -3,-0.6 4,-2.8 58,-0.4 3,-1.4 0.321 36.5 111.8 -97.3 5.8 33.5 36.0 26.1 98 102 A G H 3> + 0 0 2 55,-2.0 4,-2.5 1,-0.3 5,-0.3 0.838 67.9 62.1 -59.2 -33.0 36.2 38.0 27.7 99 103 A A H 3> S+ 0 0 8 54,-0.5 4,-0.6 -3,-0.4 -1,-0.3 0.881 114.2 36.2 -53.2 -42.8 35.4 36.9 31.2 100 104 A V H <> S+ 0 0 0 -3,-1.4 4,-1.8 22,-0.2 -2,-0.2 0.868 115.5 52.1 -76.5 -46.5 36.2 33.3 30.2 101 105 A V H X S+ 0 0 22 -4,-2.8 4,-3.2 1,-0.2 5,-0.2 0.912 106.7 54.3 -62.9 -38.1 39.1 34.0 27.8 102 106 A K H X S+ 0 0 90 -4,-2.5 4,-1.4 -5,-0.3 -1,-0.2 0.832 104.9 54.3 -66.5 -30.2 40.9 36.0 30.5 103 107 A L H X S+ 0 0 44 -4,-0.6 4,-0.9 -5,-0.3 -1,-0.2 0.926 115.5 39.2 -64.5 -43.4 40.7 33.1 32.9 104 108 A W H X S+ 0 0 5 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.852 107.8 63.7 -70.8 -36.7 42.3 30.9 30.2 105 109 A N H X S+ 0 0 33 -4,-3.2 4,-1.5 1,-0.3 -2,-0.2 0.855 105.7 45.6 -62.4 -36.7 44.8 33.7 29.0 106 110 A I H X S+ 0 0 117 -4,-1.4 4,-2.2 -5,-0.2 -1,-0.3 0.871 107.0 60.0 -68.6 -36.5 46.4 33.6 32.4 107 111 A G H <>S+ 0 0 5 -4,-0.9 5,-1.8 1,-0.2 -2,-0.2 0.847 104.1 51.6 -57.4 -35.4 46.3 29.8 32.1 108 112 A F H <5S+ 0 0 33 -4,-1.7 3,-0.3 3,-0.2 -1,-0.2 0.928 105.4 52.8 -65.0 -51.4 48.5 30.0 29.0 109 113 A D H <5S+ 0 0 145 -4,-1.5 2,-0.5 1,-0.3 -2,-0.2 0.881 124.9 27.8 -61.0 -41.1 51.2 32.2 30.6 110 114 A R T <5S- 0 0 216 -4,-2.2 2,-2.5 2,-0.2 -1,-0.3 -0.972 102.9-116.6-116.4 112.6 51.4 29.6 33.4 111 115 A A T 5S+ 0 0 41 -2,-0.5 2,-0.3 -3,-0.3 -3,-0.2 -0.170 72.9 122.6 -46.3 67.8 50.5 26.2 32.0 112 116 A A < - 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