==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-JUN-13 4L9R . COMPND 2 MOLECULE: INOSITOL 2-DEHYDROGENASE/D-CHIRO-INOSITOL 3-DEHYD . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS SUBSP. SUBTILIS; . AUTHOR D.BERTWISTLE,D.A.R.SANDERS,D.R.J.PALMER . 337 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16408.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 250 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 11.0 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 35 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.7 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 2 1 0 0 0 0 2 2 1 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 PARALLEL BRIDGES PER LADDER . 0 1 1 1 0 2 0 1 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 . 1 0 0 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 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 0 229 0, 0.0 3,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0-177.2 32.7 14.6 4.0 2 2 A S - 0 0 49 1,-0.1 2,-0.5 26,-0.1 26,-0.3 -0.258 360.0-117.6 -71.6 144.1 29.8 16.4 5.6 3 3 A L E -a 28 0A 11 24,-2.8 26,-2.5 1,-0.0 2,-0.8 -0.697 34.1-135.1 -70.6 122.5 29.7 17.9 9.0 4 4 A R E -a 29 0A 85 -2,-0.5 64,-2.4 24,-0.2 65,-1.6 -0.755 26.8-164.4 -90.2 113.0 26.9 15.9 10.6 5 5 A I E -ab 30 69A 0 24,-3.4 26,-2.4 -2,-0.8 27,-1.3 -0.790 15.1-162.2-106.9 133.8 24.7 18.4 12.6 6 6 A G E -ab 32 70A 0 63,-2.6 65,-2.5 -2,-0.4 2,-0.5 -0.897 14.7-145.2-106.3 142.1 22.0 17.8 15.2 7 7 A V E -ab 33 71A 0 25,-2.5 27,-2.1 -2,-0.4 2,-0.8 -0.919 5.0-160.0-112.5 124.3 19.5 20.6 16.0 8 8 A I E S+ab 34 72A 9 63,-3.3 65,-3.0 -2,-0.5 66,-0.4 -0.878 74.1 21.1-102.2 105.9 18.2 21.1 19.5 9 9 A G - 0 0 8 25,-3.1 26,-0.2 -2,-0.8 -1,-0.2 0.543 63.0-154.7 102.3 109.1 14.9 23.1 19.3 10 10 A T + 0 0 6 4,-0.1 -1,-0.1 27,-0.1 64,-0.1 -0.313 51.3 117.5-112.9 48.3 12.9 23.1 16.1 11 11 A G S > S- 0 0 41 62,-0.4 4,-2.7 -2,-0.0 5,-0.2 -0.070 88.0 -58.4 -88.5-158.4 11.0 26.4 16.4 12 12 A K H > S+ 0 0 157 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.901 137.2 43.7 -51.8 -51.5 11.3 29.3 14.0 13 13 A I H > S+ 0 0 75 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.902 113.6 50.8 -67.3 -42.6 15.0 29.9 14.5 14 14 A G H > S+ 0 0 0 59,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.922 111.1 49.3 -56.1 -46.5 15.9 26.2 14.3 15 15 A K H X S+ 0 0 66 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.900 107.6 53.8 -63.6 -41.2 13.9 25.8 11.1 16 16 A E H X S+ 0 0 85 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.924 112.9 44.7 -56.8 -45.3 15.7 28.9 9.6 17 17 A H H X S+ 0 0 2 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.865 111.0 52.4 -66.9 -38.5 19.0 27.2 10.4 18 18 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.927 112.8 45.5 -64.8 -43.3 17.8 23.8 9.1 19 19 A N H X S+ 0 0 67 -4,-2.9 4,-2.9 2,-0.2 5,-0.4 0.916 112.2 52.1 -62.6 -44.9 16.8 25.5 5.8 20 20 A R H X>S+ 0 0 25 -4,-2.4 5,-2.3 -5,-0.2 4,-2.1 0.958 115.3 39.9 -56.5 -53.4 20.1 27.4 5.6 21 21 A I H <5S+ 0 0 5 -4,-2.8 7,-0.3 3,-0.2 -1,-0.2 0.849 121.7 43.1 -65.7 -35.7 22.2 24.3 6.1 22 22 A T H <5S+ 0 0 52 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.832 131.4 16.8 -81.4 -33.0 20.0 22.1 3.8 23 23 A N H <5S+ 0 0 104 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.463 130.8 29.5-125.5 -4.6 19.4 24.5 1.0 24 24 A K T <5S+ 0 0 127 -4,-2.1 -3,-0.2 -5,-0.4 -4,-0.1 0.699 102.0 58.9-126.3 -41.1 21.9 27.4 1.1 25 25 A L < - 0 0 32 -5,-2.3 2,-0.3 1,-0.0 3,-0.2 -0.389 68.2-118.5-103.3 174.4 25.3 26.4 2.6 26 26 A S S S+ 0 0 82 1,-0.1 3,-0.1 -2,-0.1 263,-0.1 -0.834 74.9 19.1-116.5 144.4 28.0 23.9 1.9 27 27 A G S S+ 0 0 24 -2,-0.3 -24,-2.8 1,-0.2 2,-0.3 0.601 95.0 85.0 85.7 13.9 29.6 21.0 3.7 28 28 A A E -a 3 0A 15 -7,-0.3 2,-0.3 -26,-0.3 -24,-0.2 -0.979 47.6-165.0-143.7 158.1 27.0 20.1 6.4 29 29 A E E -a 4 0A 78 -26,-2.5 -24,-3.4 -2,-0.3 2,-0.7 -0.996 26.7-121.7-142.3 142.0 23.9 18.0 6.8 30 30 A I E +a 5 0A 0 -2,-0.3 21,-0.3 -26,-0.2 -24,-0.2 -0.773 39.3 161.8 -80.7 115.2 21.2 17.8 9.5 31 31 A V E + 0 0 23 -26,-2.4 22,-2.2 -2,-0.7 2,-0.3 0.420 60.5 29.0-116.2 -5.6 21.3 14.2 10.7 32 32 A A E -ac 6 53A 0 -27,-1.3 -25,-2.5 20,-0.3 2,-0.3 -0.982 57.1-178.4-155.1 141.9 19.4 14.6 14.0 33 33 A V E -ac 7 54A 0 20,-2.1 22,-2.9 -2,-0.3 2,-0.3 -0.979 0.6-177.2-135.8 154.7 16.8 16.8 15.6 34 34 A T E +ac 8 55A 6 -27,-2.1 -25,-3.1 -2,-0.3 2,-0.3 -0.983 6.5 169.9-145.5 142.1 15.1 17.1 19.0 35 35 A S - 0 0 21 20,-0.6 6,-0.1 -2,-0.3 7,-0.1 -0.976 45.2-117.4-143.5 159.0 12.3 19.3 20.3 36 36 A V S S+ 0 0 155 -2,-0.3 2,-1.1 1,-0.2 -1,-0.1 0.917 114.7 57.9 -58.9 -43.0 10.2 19.5 23.4 37 37 A N S >> S- 0 0 89 1,-0.2 4,-1.7 -3,-0.1 3,-0.6 -0.778 75.2-168.8 -88.4 98.3 7.3 18.9 21.1 38 38 A Q H 3> S+ 0 0 92 -2,-1.1 4,-1.9 1,-0.2 -1,-0.2 0.833 84.3 58.6 -56.5 -34.8 8.2 15.5 19.4 39 39 A E H 3> S+ 0 0 134 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.883 105.1 48.3 -65.5 -39.8 5.4 16.0 16.9 40 40 A A H <> S+ 0 0 30 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.860 108.2 54.4 -69.8 -37.6 6.8 19.3 15.6 41 41 A A H X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.900 109.3 48.0 -61.5 -42.2 10.4 17.9 15.3 42 42 A Q H X S+ 0 0 81 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.881 109.7 53.3 -65.7 -38.2 9.0 15.1 13.1 43 43 A K H X S+ 0 0 122 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.846 106.4 52.8 -63.4 -35.9 7.1 17.6 11.0 44 44 A V H X S+ 0 0 4 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.873 105.5 54.8 -68.4 -36.3 10.3 19.6 10.5 45 45 A V H <>S+ 0 0 12 -4,-1.6 5,-2.2 2,-0.2 -2,-0.2 0.901 113.7 40.5 -63.8 -41.8 12.0 16.4 9.2 46 46 A E H ><5S+ 0 0 131 -4,-1.8 3,-1.3 3,-0.2 -2,-0.2 0.931 111.9 56.9 -68.2 -48.4 9.2 15.9 6.6 47 47 A Q H 3<5S+ 0 0 111 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.869 118.4 31.5 -50.8 -43.7 9.0 19.6 5.7 48 48 A Y T 3<5S- 0 0 44 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.285 105.6-124.1-104.1 11.3 12.7 19.7 4.8 49 49 A Q T < 5 + 0 0 174 -3,-1.3 -3,-0.2 -4,-0.2 2,-0.2 0.872 47.2 177.6 50.6 46.7 13.0 16.1 3.6 50 50 A L < - 0 0 19 -5,-2.2 2,-1.2 -6,-0.2 -1,-0.2 -0.517 41.4-138.8 -83.0 145.0 15.9 15.3 6.0 51 51 A N + 0 0 139 -21,-0.3 2,-0.4 -2,-0.2 -1,-0.1 -0.651 64.1 139.0 -88.4 73.2 17.6 12.0 6.4 52 52 A A - 0 0 19 -2,-1.2 2,-0.4 -7,-0.1 -20,-0.3 -0.951 55.1-131.7-131.9 140.2 17.4 12.7 10.1 53 53 A T E -c 32 0A 72 -22,-2.2 -20,-2.1 -2,-0.4 2,-0.5 -0.708 23.9-137.1 -87.2 136.1 16.7 10.7 13.3 54 54 A V E -c 33 0A 27 -2,-0.4 -20,-0.2 -22,-0.2 -12,-0.0 -0.846 20.0-164.4 -96.7 123.7 14.3 12.4 15.8 55 55 A Y E -c 34 0A 40 -22,-2.9 -20,-0.6 -2,-0.5 3,-0.1 -0.792 23.6-136.4-108.2 150.9 15.3 12.2 19.5 56 56 A P S S+ 0 0 77 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.748 86.0 4.0 -78.5 -20.2 13.1 12.8 22.5 57 57 A N S > S- 0 0 67 -24,-0.1 4,-1.6 -23,-0.1 5,-0.1 -0.948 76.9-101.0-154.8 171.6 15.7 14.9 24.2 58 58 A D H > S+ 0 0 19 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.822 111.6 62.5 -71.8 -33.7 19.2 16.4 23.9 59 59 A D H > S+ 0 0 86 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.958 108.1 42.3 -53.6 -54.1 21.0 13.7 25.9 60 60 A S H 4 S+ 0 0 35 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.885 114.1 52.3 -63.9 -38.3 20.1 11.0 23.5 61 61 A L H >< S+ 0 0 0 -4,-1.6 3,-1.4 1,-0.2 -1,-0.2 0.934 109.7 48.7 -60.7 -45.8 20.8 13.2 20.5 62 62 A L H 3< S+ 0 0 10 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.654 104.3 60.4 -71.3 -16.0 24.3 14.0 21.9 63 63 A A T 3< S+ 0 0 79 -4,-1.0 2,-0.6 -3,-0.3 -1,-0.3 0.516 76.0 111.1 -88.0 -7.2 24.9 10.3 22.4 64 64 A D X - 0 0 24 -3,-1.4 3,-1.9 -4,-0.4 -3,-0.0 -0.605 62.7-152.2 -68.4 115.6 24.5 9.7 18.7 65 65 A E T 3 S+ 0 0 166 -2,-0.6 -1,-0.2 1,-0.3 -3,-0.0 0.675 92.8 60.2 -65.4 -17.6 28.0 8.7 17.6 66 66 A N T 3 S+ 0 0 84 -35,-0.1 2,-0.6 2,-0.0 -1,-0.3 0.267 82.5 93.2-100.0 12.0 27.2 10.1 14.2 67 67 A V < + 0 0 1 -3,-1.9 -62,-0.2 -6,-0.1 3,-0.1 -0.938 45.4 174.0-101.1 122.2 26.5 13.6 15.4 68 68 A D + 0 0 40 -64,-2.4 24,-1.3 -2,-0.6 2,-0.3 0.734 64.9 6.5 -95.6 -30.2 29.6 15.8 15.2 69 69 A A E -bd 5 92A 0 -65,-1.6 -63,-2.6 22,-0.2 2,-0.3 -0.984 64.6-145.3-156.1 154.0 28.1 19.2 16.1 70 70 A V E -bd 6 93A 0 22,-2.6 24,-2.6 -2,-0.3 2,-0.5 -0.922 8.1-143.2-130.0 153.2 24.9 20.7 17.4 71 71 A L E -bd 7 94A 0 -65,-2.5 -63,-3.3 -2,-0.3 2,-0.8 -0.969 15.4-151.5-107.6 130.3 22.9 23.9 17.0 72 72 A V E +bd 8 95A 0 22,-3.0 24,-2.2 -2,-0.5 -63,-0.2 -0.878 36.6 146.0-103.4 108.4 21.1 25.1 20.2 73 73 A T + 0 0 11 -65,-3.0 -59,-0.4 -2,-0.8 -62,-0.4 0.007 32.6 117.9-132.6 25.3 18.0 27.0 19.1 74 74 A S S S- 0 0 31 -66,-0.4 5,-0.1 1,-0.2 -65,-0.1 -0.019 78.8 -42.7 -81.6-171.8 15.6 26.1 21.8 75 75 A W > - 0 0 195 1,-0.1 3,-2.4 3,-0.1 4,-0.5 -0.323 64.9-115.9 -53.3 131.5 13.8 28.3 24.4 76 76 A G G > S+ 0 0 19 1,-0.3 3,-1.8 2,-0.2 4,-0.5 0.844 112.9 50.5 -43.1 -54.3 16.4 30.9 25.7 77 77 A P G 3 S+ 0 0 67 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.676 107.1 58.8 -61.5 -14.4 16.5 29.7 29.3 78 78 A A G <> S+ 0 0 36 -3,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.504 84.1 83.7 -90.6 -7.1 17.0 26.2 28.0 79 79 A H H <> S+ 0 0 5 -3,-1.8 4,-2.6 -4,-0.5 3,-0.3 0.944 80.9 57.6 -62.2 -52.7 20.2 27.0 26.1 80 80 A E H > S+ 0 0 27 -4,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.853 104.6 52.5 -50.9 -43.9 22.7 26.7 29.0 81 81 A S H > S+ 0 0 59 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.933 112.3 43.3 -61.6 -47.4 21.8 23.1 29.8 82 82 A S H X S+ 0 0 6 -4,-1.3 4,-2.8 -3,-0.3 -1,-0.2 0.889 111.4 54.9 -66.8 -39.0 22.2 21.9 26.3 83 83 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.937 109.4 47.8 -60.3 -46.3 25.5 23.8 25.8 84 84 A L H X S+ 0 0 21 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.913 111.9 49.3 -57.6 -47.3 26.9 22.2 28.9 85 85 A K H X S+ 0 0 56 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.906 110.5 50.4 -60.5 -44.4 25.8 18.7 27.8 86 86 A A H <>S+ 0 0 0 -4,-2.8 5,-2.5 2,-0.2 -1,-0.2 0.883 109.8 50.7 -61.6 -40.3 27.3 19.2 24.3 87 87 A I H ><5S+ 0 0 1 -4,-2.1 3,-1.8 3,-0.2 -2,-0.2 0.924 109.7 49.5 -64.1 -44.7 30.6 20.3 25.8 88 88 A K H 3<5S+ 0 0 139 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.842 109.6 51.9 -64.2 -31.7 30.8 17.3 28.1 89 89 A A T 3<5S- 0 0 40 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.386 115.0-125.5 -81.4 6.2 30.1 15.1 25.0 90 90 A Q T < 5 + 0 0 131 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.905 61.8 140.9 46.6 51.5 33.0 17.0 23.4 91 91 A K < - 0 0 28 -5,-2.5 -22,-0.2 -6,-0.1 -1,-0.2 -0.949 58.1-103.8-122.3 145.1 30.9 18.1 20.5 92 92 A Y E -d 69 0A 33 -24,-1.3 -22,-2.6 -2,-0.4 2,-0.4 -0.324 40.0-162.9 -64.6 145.2 31.0 21.5 18.7 93 93 A V E -de 70 121A 0 27,-3.3 29,-2.9 -24,-0.2 2,-0.6 -0.991 20.0-163.5-139.4 128.7 28.1 23.7 19.5 94 94 A F E -de 71 122A 0 -24,-2.6 -22,-3.0 -2,-0.4 2,-0.5 -0.963 22.8-165.2-102.8 121.9 26.6 26.8 17.9 95 95 A C E -de 72 123A 0 27,-3.2 29,-2.8 -2,-0.6 -22,-0.1 -0.933 13.2-139.0-116.8 124.9 24.3 28.5 20.4 96 96 A E - 0 0 25 -24,-2.2 29,-0.1 -2,-0.5 -22,-0.1 -0.439 57.8 -41.6 -67.4 150.7 21.8 31.2 19.6 97 97 A K S S+ 0 0 55 27,-0.3 -1,-0.1 -2,-0.1 2,-0.1 -0.289 116.9 44.4 -55.8 140.7 21.6 34.1 22.1 98 98 A P - 0 0 46 0, 0.0 3,-0.1 0, 0.0 -19,-0.1 0.662 56.7-165.1 -90.8 163.4 21.7 33.9 25.0 99 99 A L S S- 0 0 4 1,-0.3 2,-0.3 206,-0.1 -16,-0.2 0.870 84.8 -17.7 -64.1 -38.6 24.5 31.6 25.9 100 100 A A - 0 0 5 205,-0.2 -1,-0.3 -21,-0.1 6,-0.1 -0.964 64.5-114.1-161.3 161.9 22.9 31.5 29.4 101 101 A T S S+ 0 0 81 -2,-0.3 2,-0.3 -24,-0.2 3,-0.0 0.595 97.6 35.5 -79.9 -11.5 20.4 33.7 31.3 102 102 A T S > S- 0 0 40 1,-0.1 4,-1.8 211,-0.0 5,-0.1 -0.943 79.3-117.8-137.4 162.1 23.0 34.7 33.9 103 103 A A H > S+ 0 0 12 -2,-0.3 4,-2.2 206,-0.2 5,-0.1 0.854 118.4 55.2 -62.9 -37.2 26.7 35.5 34.1 104 104 A E H > S+ 0 0 116 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.902 105.7 51.5 -63.9 -42.1 27.1 32.6 36.5 105 105 A G H > S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.880 110.0 49.3 -59.9 -40.3 25.5 30.3 33.8 106 106 A C H X S+ 0 0 1 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.885 108.2 54.0 -66.6 -38.3 28.0 31.6 31.3 107 107 A M H X S+ 0 0 22 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.863 102.6 56.6 -64.9 -38.1 30.9 31.0 33.6 108 108 A R H X S+ 0 0 113 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.901 110.5 45.1 -56.3 -44.4 29.8 27.4 34.1 109 109 A I H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.951 111.4 52.5 -67.5 -49.8 30.1 26.9 30.4 110 110 A V H X S+ 0 0 2 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.924 109.0 50.6 -47.5 -52.6 33.4 28.7 30.2 111 111 A E H X S+ 0 0 102 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.921 111.6 46.3 -55.6 -49.7 34.8 26.5 33.0 112 112 A E H X S+ 0 0 43 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.863 112.6 51.1 -63.3 -35.6 33.8 23.2 31.2 113 113 A E H X>S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 5,-0.6 0.939 104.4 55.0 -68.6 -45.2 35.1 24.5 27.9 114 114 A I H <5S+ 0 0 67 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.834 107.0 54.9 -55.6 -32.9 38.6 25.4 29.3 115 115 A K H <5S+ 0 0 146 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.977 100.3 55.7 -61.5 -60.3 38.8 21.8 30.6 116 116 A V H <5S- 0 0 37 -4,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.802 103.5-137.9 -43.7 -34.5 38.1 20.3 27.1 117 117 A G T <5 + 0 0 52 -4,-1.5 2,-0.3 1,-0.2 -3,-0.1 0.494 68.3 70.0 86.8 2.1 41.1 22.3 26.0 118 118 A K S - 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