==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 17-FEB-05 1YW5 . COMPND 2 MOLECULE: PEPTIDYL PROLYL CIS/TRANS ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA ALBICANS; . AUTHOR Z.LI,H.LI,G.DEVASAHAYAM,T.GEMMILL,V.CHATURVEDI,S.D.HANES, . 177 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10012.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 106 59.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 7 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 21.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.7 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 0 2 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 2 1 2 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 1 A M 0 0 233 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -58.7 43.9 26.0 18.9 2 2 A A + 0 0 63 2,-0.1 2,-0.3 1,-0.0 62,-0.2 -0.250 360.0 175.8 -50.4 125.4 40.1 26.3 19.4 3 3 A S - 0 0 64 2,-0.1 58,-0.1 60,-0.1 59,-0.1 -0.952 42.7-151.8-138.8 155.8 38.6 23.9 16.9 4 4 A T + 0 0 19 -2,-0.3 153,-0.6 173,-0.1 2,-0.2 0.341 64.5 116.5-103.8 2.1 35.2 22.6 15.9 5 5 A S - 0 0 54 1,-0.1 -2,-0.1 151,-0.1 44,-0.1 -0.521 51.1-161.2 -73.8 136.7 36.6 19.3 14.6 6 6 A T - 0 0 5 151,-0.3 43,-0.2 -2,-0.2 44,-0.2 0.633 32.6-128.8 -90.1 -17.3 35.5 16.2 16.5 7 7 A G + 0 0 12 1,-0.3 35,-2.5 38,-0.1 39,-0.1 0.377 63.7 135.3 84.8 -5.2 38.4 14.1 15.3 8 8 A L - 0 0 23 33,-0.2 -1,-0.3 1,-0.1 -2,-0.2 -0.384 59.9-105.1 -76.8 154.7 36.0 11.4 14.2 9 9 A P > - 0 0 26 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.256 56.4 -68.4 -72.1 164.6 36.2 9.7 10.8 10 10 A P T 3 S+ 0 0 100 0, 0.0 3,-0.1 0, 0.0 149,-0.1 -0.189 121.1 26.3 -55.2 147.2 33.8 10.5 8.0 11 11 A N T 3 S+ 0 0 67 147,-0.4 17,-3.1 1,-0.2 2,-0.3 0.183 99.3 109.2 85.0 -15.3 30.1 9.5 8.6 12 12 A W E < +A 27 0A 25 -3,-1.7 2,-0.3 15,-0.2 -1,-0.2 -0.718 38.5 164.7 -98.7 145.0 30.5 9.6 12.3 13 13 A T E -A 26 0A 0 13,-2.1 13,-2.2 -2,-0.3 2,-0.4 -0.853 35.1 -91.3-143.2 179.4 29.0 12.1 14.7 14 14 A I E +A 25 0A 2 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.792 35.2 175.0-104.2 140.9 28.3 12.5 18.4 15 15 A R E -A 24 0A 72 9,-2.5 9,-2.6 -2,-0.4 2,-0.4 -0.930 21.3-135.8-136.5 158.5 25.1 11.6 20.4 16 16 A V E -A 23 0A 46 -2,-0.3 7,-0.2 7,-0.2 5,-0.1 -0.977 27.1-112.2-122.3 128.4 24.2 11.7 24.0 17 17 A S - 0 0 25 5,-3.2 4,-0.5 -2,-0.4 5,-0.1 -0.225 27.5-120.2 -55.0 143.4 22.4 8.9 25.9 18 18 A R S S+ 0 0 250 2,-0.1 2,-0.4 3,-0.1 -1,-0.1 0.717 97.6 40.7 -59.8 -21.9 18.9 9.8 26.9 19 19 A S S > S+ 0 0 75 3,-0.1 3,-0.5 1,-0.1 -1,-0.1 -0.992 120.9 9.3-134.1 138.3 19.8 9.2 30.5 20 20 A H T 3 S- 0 0 151 -2,-0.4 -2,-0.1 1,-0.2 -1,-0.1 0.517 100.7-104.9 76.1 6.6 22.9 10.1 32.5 21 21 A N T 3 + 0 0 79 -4,-0.5 2,-0.5 1,-0.2 -1,-0.2 0.844 60.1 166.1 41.1 55.1 24.3 12.2 29.6 22 22 A K < - 0 0 123 -3,-0.5 -5,-3.2 -5,-0.1 2,-0.2 -0.858 30.4-132.6 -98.8 127.4 26.9 9.7 28.4 23 23 A E E +A 16 0A 49 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.561 30.3 169.0 -83.6 142.9 28.3 10.5 25.0 24 24 A Y E -A 15 0A 53 -9,-2.6 -9,-2.5 -2,-0.2 2,-0.4 -0.873 30.6-107.9-140.1 173.4 28.6 7.8 22.3 25 25 A F E -AB 14 34A 5 9,-3.0 9,-2.7 -2,-0.3 2,-0.4 -0.896 22.6-160.2-116.0 139.6 29.3 7.8 18.6 26 26 A L E -AB 13 33A 29 -13,-2.2 -13,-2.1 -2,-0.4 2,-0.7 -0.961 11.9-147.1-121.0 129.7 26.9 7.2 15.7 27 27 A N E > -A 12 0A 16 5,-2.5 4,-2.5 -2,-0.4 5,-0.3 -0.844 10.2-159.6 -92.1 114.1 27.8 6.1 12.2 28 28 A Q T 4 S+ 0 0 24 -17,-3.1 -1,-0.1 -2,-0.7 -16,-0.1 0.625 87.7 52.4 -71.5 -11.7 25.1 7.7 10.0 29 29 A S T 4 S+ 0 0 37 -18,-0.3 -1,-0.2 3,-0.1 -17,-0.1 0.809 125.6 19.5 -92.8 -33.1 25.8 5.3 7.2 30 30 A T T 4 S- 0 0 84 -3,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.585 93.8-128.9-109.5 -18.0 25.6 2.0 9.0 31 31 A N < + 0 0 126 -4,-2.5 2,-0.2 1,-0.3 -3,-0.1 0.637 53.8 155.6 73.9 16.1 23.6 3.2 12.1 32 32 A E - 0 0 102 -5,-0.3 -5,-2.5 -6,-0.0 2,-0.4 -0.550 31.5-153.0 -74.7 137.7 26.2 1.5 14.2 33 33 A S E -B 26 0A 70 -2,-0.2 2,-0.4 -7,-0.2 -7,-0.2 -0.943 16.0-179.1-111.4 134.3 26.5 3.0 17.7 34 34 A S E -B 25 0A 23 -9,-2.7 -9,-3.0 -2,-0.4 -2,-0.0 -0.999 27.7-164.7-138.3 134.3 29.9 2.7 19.5 35 35 A W S S+ 0 0 161 -2,-0.4 -1,-0.1 -11,-0.2 -9,-0.1 0.779 82.0 71.4 -82.8 -30.2 30.9 3.9 23.0 36 36 A D S S- 0 0 118 1,-0.1 -11,-0.2 -11,-0.1 3,-0.1 -0.595 104.3 -97.2 -84.6 146.0 34.6 3.5 22.0 37 37 A P - 0 0 68 0, 0.0 3,-0.1 0, 0.0 4,-0.1 -0.448 50.0-110.5 -62.7 132.3 36.0 6.0 19.5 38 38 A P > - 0 0 13 0, 0.0 3,-1.8 0, 0.0 -26,-0.0 -0.211 42.5 -79.8 -63.4 155.9 35.8 4.4 16.0 39 39 A Y T 3 S+ 0 0 230 1,-0.3 3,-0.1 -3,-0.1 -3,-0.0 -0.277 119.9 33.9 -54.4 136.0 39.0 3.3 14.2 40 40 A G T 3 S+ 0 0 55 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.384 84.7 140.2 97.4 -4.1 40.6 6.3 12.6 41 41 A T < - 0 0 11 -3,-1.8 2,-1.3 -4,-0.1 -1,-0.3 -0.500 57.4-128.1 -74.8 139.6 39.6 8.8 15.3 42 42 A D > - 0 0 66 -35,-2.5 4,-2.6 -2,-0.2 5,-0.2 -0.781 25.1-162.9 -88.5 97.6 42.1 11.4 16.4 43 43 A K H > S+ 0 0 137 -2,-1.3 4,-2.8 1,-0.2 5,-0.2 0.870 83.0 49.4 -47.9 -51.4 41.9 10.7 20.1 44 44 A E H > S+ 0 0 154 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.935 113.0 46.5 -58.7 -48.9 43.4 14.0 21.3 45 45 A V H > S+ 0 0 43 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.896 114.0 48.9 -61.0 -42.9 41.1 16.1 19.1 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.920 110.0 49.8 -64.8 -45.7 38.1 14.2 20.2 47 47 A N H X S+ 0 0 100 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.920 111.6 49.2 -59.8 -43.8 38.9 14.4 23.9 48 48 A A H X S+ 0 0 57 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.895 113.5 47.6 -61.6 -40.7 39.4 18.1 23.6 49 49 A Y H X S+ 0 0 4 -4,-2.0 4,-2.8 -5,-0.2 -2,-0.2 0.933 110.8 49.8 -67.0 -47.2 36.1 18.4 21.7 50 50 A I H X S+ 0 0 12 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.878 107.2 55.7 -60.7 -38.5 34.1 16.3 24.2 51 51 A A H X S+ 0 0 62 -4,-2.2 4,-0.7 -5,-0.2 -1,-0.2 0.924 114.3 38.6 -60.5 -46.1 35.5 18.3 27.2 52 52 A K H X S+ 0 0 103 -4,-1.6 4,-0.7 2,-0.2 3,-0.5 0.867 110.9 61.2 -72.4 -36.2 34.2 21.6 25.7 53 53 A F H ><>S+ 0 0 5 -4,-2.8 5,-1.6 1,-0.2 3,-1.1 0.925 104.4 47.6 -55.2 -49.3 31.0 19.9 24.4 54 54 A K H 3<5S+ 0 0 82 -4,-2.3 3,-0.4 1,-0.3 -1,-0.2 0.736 114.8 46.9 -66.6 -21.9 30.0 19.0 28.0 55 55 A N H 3<5S+ 0 0 148 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.455 100.9 68.0 -97.4 -3.0 30.7 22.5 29.1 56 56 A N T <<5S- 0 0 74 -3,-1.1 3,-0.5 -4,-0.7 -1,-0.2 -0.088 127.7 -89.0-105.4 31.6 28.9 24.1 26.2 57 57 A G T 5S- 0 0 46 -3,-0.4 -3,-0.2 1,-0.2 -2,-0.1 0.762 74.7 -69.5 68.1 24.7 25.5 22.9 27.3 58 58 A Y S - 0 0 19 4,-2.7 3,-2.3 -2,-0.2 -1,-0.2 -0.014 48.6 -80.4 -77.2-175.6 34.1 28.5 15.6 64 64 A E T 3 S+ 0 0 150 1,-0.3 -1,-0.1 -62,-0.2 -61,-0.0 0.615 132.0 49.0 -60.7 -13.8 36.1 31.5 16.8 65 65 A D T 3 S- 0 0 109 2,-0.2 -1,-0.3 74,-0.0 3,-0.1 0.289 120.7-105.8-107.8 7.0 33.5 33.9 15.3 66 66 A G S < S+ 0 0 33 -3,-2.3 75,-0.4 1,-0.3 2,-0.2 0.694 82.6 121.3 76.7 21.7 30.6 32.1 16.9 67 67 A Q - 0 0 42 73,-0.1 -4,-2.7 110,-0.1 2,-0.3 -0.688 49.5-152.7-118.6 166.1 29.7 30.6 13.5 68 68 A V E -C 139 0B 0 71,-1.6 71,-2.0 -2,-0.2 2,-0.4 -0.913 13.8-141.9-129.9 157.7 29.1 27.3 11.8 69 69 A R E +C 138 0B 84 -2,-0.3 107,-2.3 69,-0.2 108,-1.6 -0.981 23.6 171.1-124.6 135.0 29.5 26.4 8.1 70 70 A V E - D 0 175B 0 67,-0.9 66,-2.3 -2,-0.4 67,-0.4 -0.957 25.7-144.1-140.4 159.6 27.3 24.1 6.1 71 71 A S E -CD 135 174B 14 103,-2.5 103,-2.4 -2,-0.3 2,-0.3 -0.885 28.8-167.4-114.7 149.4 26.6 22.9 2.6 72 72 A H E - D 0 173B 6 62,-2.3 2,-0.5 -2,-0.4 101,-0.2 -0.959 25.8-143.1-141.4 162.3 23.1 22.2 1.6 73 73 A L E - D 0 172B 0 99,-2.1 99,-1.5 -2,-0.3 2,-0.4 -0.990 27.3-166.7-121.7 114.4 20.9 20.6 -1.0 74 74 A L E - D 0 171B 7 -2,-0.5 52,-3.1 97,-0.2 2,-0.6 -0.901 12.8-169.6-109.3 131.8 17.7 22.5 -1.6 75 75 A I E - D 0 170B 5 95,-2.7 95,-2.0 -2,-0.4 50,-0.1 -0.967 18.3-155.6-118.3 112.1 14.7 21.3 -3.5 76 76 A K - 0 0 24 -2,-0.6 2,-0.3 93,-0.2 93,-0.2 -0.287 11.1-171.7 -80.7 171.2 12.2 24.1 -4.1 77 77 A N > - 0 0 2 91,-0.3 3,-1.6 4,-0.2 18,-0.2 -0.943 40.8 -85.7-154.6 172.9 8.4 23.7 -4.7 78 78 A N T 3 S+ 0 0 78 16,-3.4 17,-0.1 -2,-0.3 4,-0.1 0.431 120.7 48.9 -68.7 0.3 5.3 25.7 -5.6 79 79 A Q T 3 S+ 0 0 135 15,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.218 94.3 89.0-121.9 14.7 4.5 26.8 -2.1 80 80 A S S < S- 0 0 13 -3,-1.6 88,-0.2 88,-0.2 87,-0.1 -0.636 88.3 -82.7-105.0 165.9 8.0 28.1 -1.1 81 81 A R S S+ 0 0 147 86,-3.3 3,-0.2 -2,-0.2 -4,-0.2 -0.256 107.0 11.5 -65.0 156.3 9.4 31.6 -1.6 82 82 A K S S- 0 0 142 1,-0.2 2,-2.3 -6,-0.1 -1,-0.2 0.885 75.9-156.5 37.6 68.0 10.9 32.5 -4.9 83 83 A P + 0 0 57 0, 0.0 9,-2.2 0, 0.0 2,-0.3 -0.417 61.4 74.7 -73.5 70.7 9.7 29.5 -6.9 84 84 A K + 0 0 108 -2,-2.3 2,-0.3 7,-0.3 -7,-0.1 -0.935 52.8 175.2-169.1 159.5 12.3 29.5 -9.6 85 85 A S B > -G 88 0C 14 3,-1.6 3,-1.1 -2,-0.3 6,-0.2 -0.973 50.2 -82.8-163.7 173.1 16.0 28.6 -9.9 86 86 A W T 3 S+ 0 0 114 40,-0.3 40,-0.1 -2,-0.3 41,-0.1 0.815 131.3 42.0 -54.8 -33.2 19.0 28.3 -12.3 87 87 A K T 3 S+ 0 0 70 1,-0.2 -1,-0.3 38,-0.1 3,-0.1 0.550 126.7 33.4 -92.3 -9.3 17.7 24.9 -13.3 88 88 A S B X S+G 85 0C 27 -3,-1.1 3,-1.7 38,-0.1 -3,-1.6 -0.530 71.3 161.6-141.0 64.7 14.0 26.0 -13.5 89 89 A P T 3 S+ 0 0 84 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 0.749 73.5 53.5 -60.4 -27.0 14.4 29.7 -14.7 90 90 A D T 3 S- 0 0 164 1,-0.3 -6,-0.1 -3,-0.1 2,-0.1 0.265 125.8 -68.3 -94.7 12.6 10.8 29.9 -15.8 91 91 A G < - 0 0 36 -3,-1.7 2,-0.5 -6,-0.2 -7,-0.3 -0.080 39.2-105.9 116.0 145.0 9.3 28.7 -12.5 92 92 A I + 0 0 13 -9,-2.2 -15,-0.1 -15,-0.1 -4,-0.0 -0.923 31.5 169.1-107.6 126.3 9.0 25.7 -10.2 93 93 A S + 0 0 100 -2,-0.5 -1,-0.1 -17,-0.1 -15,-0.1 0.425 34.7 120.7-114.9 -3.3 5.7 24.0 -10.1 94 94 A R - 0 0 44 1,-0.1 -16,-3.4 -18,-0.1 -15,-0.2 -0.320 63.1-117.6 -62.9 146.5 6.5 20.8 -8.3 95 95 A T > - 0 0 51 -18,-0.2 4,-2.2 -17,-0.1 5,-0.2 -0.295 21.9-104.3 -81.9 170.5 4.5 20.3 -5.1 96 96 A R H > S+ 0 0 79 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.920 122.5 49.7 -58.7 -47.0 5.8 20.1 -1.5 97 97 A D H > S+ 0 0 103 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.898 108.8 52.8 -61.4 -40.5 5.2 16.4 -1.4 98 98 A E H > S+ 0 0 104 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.910 109.7 48.5 -61.4 -41.5 7.0 15.9 -4.7 99 99 A S H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.875 110.8 51.5 -67.1 -36.2 10.0 17.9 -3.4 100 100 A I H X S+ 0 0 30 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.923 109.8 47.6 -67.1 -45.2 10.0 15.8 -0.2 101 101 A Q H X S+ 0 0 104 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.891 112.4 50.7 -64.6 -37.2 10.0 12.5 -2.0 102 102 A I H X S+ 0 0 65 -4,-1.9 4,-1.7 -5,-0.2 -2,-0.2 0.941 113.7 44.3 -63.7 -47.3 12.8 13.6 -4.3 103 103 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.849 106.2 60.2 -68.3 -34.3 14.9 14.8 -1.3 104 104 A K H X S+ 0 0 97 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.904 106.5 48.0 -59.4 -40.8 14.2 11.6 0.7 105 105 A K H X S+ 0 0 155 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.906 110.7 50.9 -66.2 -42.2 15.8 9.6 -2.1 106 106 A H H X S+ 0 0 23 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.917 108.1 53.2 -60.9 -43.7 18.8 11.9 -2.2 107 107 A L H X S+ 0 0 17 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.912 106.6 51.7 -58.9 -44.2 19.3 11.6 1.5 108 108 A E H X S+ 0 0 132 -4,-1.9 4,-1.7 1,-0.2 6,-0.2 0.891 111.1 47.9 -61.7 -38.1 19.3 7.8 1.4 109 109 A R H X>S+ 0 0 100 -4,-1.8 6,-1.4 2,-0.2 5,-1.0 0.820 112.1 49.8 -72.8 -30.5 22.0 7.9 -1.3 110 110 A I H ><5S+ 0 0 12 -4,-2.0 3,-1.1 4,-0.2 -2,-0.2 0.965 113.2 44.6 -71.0 -51.2 24.1 10.4 0.6 111 111 A L H 3<5S+ 0 0 42 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.814 110.0 56.1 -63.2 -29.5 24.0 8.4 3.8 112 112 A S H 3<5S- 0 0 53 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.673 112.2-119.0 -76.3 -17.4 24.7 5.1 2.0 113 113 A G T <<5S+ 0 0 54 -3,-1.1 -3,-0.2 -4,-0.6 -2,-0.1 0.441 80.1 123.1 93.2 0.7 27.9 6.6 0.5 114 114 A E S - 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