==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-MAR-10 2XAA . COMPND 2 MOLECULE: SECONDARY ALCOHOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS RUBER; . AUTHOR W.KROUTIL,K.GRUBER,G.GROGAN . 1364 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46879.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 939 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 134 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 146 10.7 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 . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 123 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 155 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 284 20.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 31 2.3 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 7 0 1 1 5 6 11 1 4 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 4 11 8 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 . 6 6 11 7 1 1 0 2 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 . 2 0 3 0 0 4 0 0 0 0 2 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 43 0, 0.0 16,-0.6 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 162.2 -7.6 10.5 67.7 2 2 A K - 0 0 41 14,-0.2 117,-0.3 335,-0.0 2,-0.2 -0.598 360.0-177.9 -79.1 155.1 -9.0 7.0 67.3 3 3 A A - 0 0 2 11,-0.2 2,-0.4 -2,-0.2 115,-0.3 -0.666 30.4-124.9-162.3 102.9 -6.6 4.6 65.5 4 4 A V + 0 0 4 113,-1.7 54,-1.8 -2,-0.2 113,-0.2 -0.286 46.3 179.7 -56.5 106.4 -7.3 1.0 64.6 5 5 A Q B -A 57 0A 23 -2,-0.4 9,-0.7 52,-0.2 2,-0.3 -0.478 35.3-140.6-107.5 172.6 -4.2 -0.8 66.2 6 6 A Y + 0 0 1 50,-0.6 50,-0.4 7,-0.2 3,-0.1 -0.837 31.3 159.7-136.4 93.5 -2.7 -4.4 66.7 7 7 A T + 0 0 83 -2,-0.3 2,-0.3 5,-0.2 -1,-0.1 0.457 60.6 46.5-101.2 -6.8 -1.2 -4.7 70.3 8 8 A E S > S- 0 0 132 4,-0.1 3,-1.5 0, 0.0 -1,-0.2 -0.856 86.3-116.0-144.2 116.3 -1.1 -8.5 70.9 9 9 A I T 3 S+ 0 0 48 -2,-0.3 38,-0.2 1,-0.2 34,-0.1 -0.148 99.2 18.9 -56.1 111.9 0.3 -11.0 68.4 10 10 A G T 3 S+ 0 0 62 33,-0.2 -1,-0.2 1,-0.1 33,-0.1 0.428 109.6 83.1 113.1 7.8 -2.5 -13.4 67.2 11 11 A S S < S- 0 0 53 -3,-1.5 -1,-0.1 1,-0.1 -2,-0.1 0.259 77.8 -80.7-111.9-134.9 -5.6 -11.4 68.2 12 12 A E - 0 0 128 1,-0.1 -5,-0.2 -4,-0.1 -4,-0.1 -0.962 41.4-105.9-148.9 153.5 -7.8 -8.6 66.9 13 13 A P 0 0 26 0, 0.0 -7,-0.2 0, 0.0 -1,-0.1 0.372 360.0 360.0 -76.2-169.2 -7.5 -4.6 66.8 14 14 A V 0 0 99 -9,-0.7 -11,-0.2 -11,-0.2 -8,-0.1 0.079 360.0 360.0-111.5 360.0 -8.9 -1.4 68.6 15 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 16 17 A D 0 0 157 0, 0.0 -14,-0.2 0, 0.0 -12,-0.0 0.000 360.0 360.0 360.0 83.2 -7.5 5.7 71.2 17 18 A I - 0 0 26 -16,-0.6 2,-0.0 1,-0.2 0, 0.0 -0.393 360.0 -88.2 -94.3 168.5 -3.9 7.2 70.9 18 19 A P - 0 0 114 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.262 46.7-106.7 -63.0 169.7 -2.5 10.8 71.2 19 20 A T - 0 0 65 100,-0.0 102,-0.1 1,-0.0 -17,-0.0 -0.919 39.8-130.2-109.8 119.6 -2.4 12.9 68.0 20 21 A P - 0 0 53 0, 0.0 101,-0.1 0, 0.0 -1,-0.0 0.040 12.5-137.8 -77.8 179.3 1.1 13.4 66.6 21 22 A T - 0 0 110 1,-0.2 5,-0.1 5,-0.0 101,-0.0 -0.975 7.5-133.8-145.6 140.3 3.1 16.5 65.5 22 23 A P 0 0 67 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.610 360.0 360.0 -74.1-134.8 5.4 17.4 62.5 23 24 A G 0 0 102 2,-0.3 0, 0.0 735,-0.0 0, 0.0 -0.468 360.0 360.0 87.6 360.0 8.8 19.2 62.5 24 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 25 27 A E 0 0 109 0, 0.0 -2,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 150.0 8.0 16.0 58.2 26 28 A I E -B 123 0B 31 97,-1.6 97,-2.5 -4,-0.1 2,-0.4 -0.984 360.0-149.5-143.2 149.3 4.3 16.5 57.2 27 29 A L E -B 122 0B 26 -2,-0.3 40,-2.5 95,-0.2 2,-0.4 -0.990 14.3-167.4-127.5 132.7 0.9 15.8 58.9 28 30 A L E -BC 121 66B 1 93,-2.5 93,-1.4 -2,-0.4 2,-0.7 -0.922 26.5-129.2-122.2 133.5 -2.3 14.9 57.1 29 31 A K E -BC 120 65B 84 36,-3.0 36,-1.6 -2,-0.4 91,-0.3 -0.740 45.1-121.9 -72.8 114.5 -6.0 14.7 58.0 30 32 A V E + C 0 64B 1 89,-1.9 34,-0.3 -2,-0.7 3,-0.1 -0.334 35.0 177.9 -65.0 134.9 -6.7 11.2 56.7 31 33 A T E + 0 0 32 32,-1.9 2,-0.3 1,-0.4 33,-0.2 0.655 69.0 2.3-106.0 -25.3 -9.5 11.1 54.2 32 34 A A E - C 0 63B 0 31,-1.3 31,-1.6 304,-0.1 -1,-0.4 -0.992 53.0-159.2-157.1 160.7 -9.3 7.3 53.5 33 35 A A E -DC 335 62B 0 302,-1.3 302,-4.0 -2,-0.3 2,-0.3 -0.961 14.6-146.4-144.9 120.2 -7.5 4.1 54.5 34 36 A G E -DC 334 61B 0 27,-1.7 2,-0.6 -2,-0.3 27,-0.5 -0.630 9.6-142.6 -83.5 143.7 -7.3 0.9 52.4 35 37 A L - 0 0 10 298,-2.1 298,-0.4 -2,-0.3 2,-0.3 -0.965 20.7-160.1-102.0 117.4 -7.2 -2.5 54.1 36 38 A C >> - 0 0 4 -2,-0.6 3,-2.2 1,-0.1 4,-0.6 -0.782 28.3-124.7 -99.6 144.2 -4.8 -4.9 52.3 37 39 A H H 3> S+ 0 0 125 -2,-0.3 4,-1.2 1,-0.3 3,-0.4 0.769 107.4 76.8 -49.7 -27.4 -4.9 -8.7 52.5 38 40 A S H 3> S+ 0 0 52 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.807 85.8 59.3 -57.0 -34.0 -1.2 -8.2 53.5 39 41 A D H <> S+ 0 0 3 -3,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.915 103.0 50.8 -59.7 -46.3 -2.3 -7.1 57.0 40 42 A I H < S+ 0 0 11 -4,-0.6 4,-0.2 -3,-0.4 -1,-0.2 0.747 111.5 49.8 -59.5 -27.4 -4.1 -10.5 57.5 41 43 A F H >< S+ 0 0 53 -4,-1.2 3,-0.6 2,-0.2 -2,-0.2 0.845 110.7 49.3 -76.9 -34.8 -0.7 -12.0 56.4 42 44 A V H >< S+ 0 0 13 -4,-2.0 3,-0.6 1,-0.2 -2,-0.2 0.779 110.4 50.5 -73.3 -29.0 1.0 -9.8 59.0 43 45 A M T 3< S+ 0 0 12 -4,-2.0 -33,-0.2 1,-0.2 -1,-0.2 0.353 101.2 59.1 -99.2 0.6 -1.4 -10.8 61.7 44 46 A D T < S+ 0 0 107 -3,-0.6 -1,-0.2 -4,-0.2 -2,-0.1 -0.112 83.1 119.5-103.7 27.7 -1.1 -14.6 61.2 45 47 A M < - 0 0 16 -3,-0.6 -3,-0.0 4,-0.1 -4,-0.0 -0.858 68.7-124.1 -98.7 111.6 2.6 -14.0 61.9 46 48 A P > - 0 0 77 0, 0.0 4,-2.4 0, 0.0 -36,-0.1 -0.092 32.0-102.5 -51.8 149.9 3.9 -15.9 65.0 47 49 A A T 4 S+ 0 0 83 -38,-0.2 -2,-0.0 2,-0.2 -37,-0.0 0.831 122.9 55.5 -38.4 -40.8 5.6 -13.7 67.7 48 50 A A T 4 S+ 0 0 94 1,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.990 112.7 34.0 -54.4 -81.8 8.9 -15.1 66.2 49 51 A Q T 4 0 0 101 0, 0.0 -2,-0.2 0, 0.0 -1,-0.1 0.881 360.0 360.0 -35.3 -58.2 8.6 -14.2 62.5 50 52 A Y < 0 0 31 -4,-2.4 3,-0.1 -8,-0.0 -7,-0.0 -0.083 360.0 360.0 -48.9 360.0 6.6 -10.9 63.3 51 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 52 54 A Y 0 0 116 0, 0.0 -2,-0.0 0, 0.0 55,-0.0 0.000 360.0 360.0 360.0 -14.7 7.6 -4.6 63.6 53 55 A G - 0 0 48 -3,-0.1 60,-0.0 1,-0.1 59,-0.0 0.304 360.0-108.4 83.4 137.8 6.8 -2.9 67.0 54 56 A L S S+ 0 0 84 1,-0.2 -47,-0.1 -47,-0.1 2,-0.1 -0.945 99.5 54.6-130.5 132.8 3.6 -3.1 69.1 55 57 A P S S+ 0 0 92 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.367 80.0 176.0 -78.4 144.3 1.6 -0.8 69.4 56 58 A L - 0 0 7 -50,-0.4 -50,-0.6 -2,-0.1 2,-0.4 -0.921 26.6-143.3-128.2 110.0 1.2 -0.4 65.5 57 59 A T B -A 5 0A 15 -2,-0.4 58,-1.1 -52,-0.2 53,-0.4 -0.527 34.1-132.0 -66.4 120.5 -1.2 2.0 63.8 58 60 A L + 0 0 5 -54,-1.8 59,-2.9 -2,-0.4 58,-0.7 -0.036 56.5 72.1 -68.6 170.0 -2.5 0.1 60.7 59 61 A G - 0 0 0 51,-0.4 57,-1.7 56,-0.3 52,-0.1 0.786 29.0-174.1 93.4 108.5 -2.9 1.0 57.0 60 62 A H S S+ 0 0 5 -26,-0.3 2,-0.8 50,-0.2 -25,-0.1 0.695 76.8 76.9 -97.2 -26.8 -0.3 1.4 54.3 61 63 A E E S+C 34 0B 0 -27,-0.5 -27,-1.7 49,-0.1 2,-0.4 -0.774 70.0 160.2 -78.0 108.3 -2.8 2.6 51.7 62 64 A G E +C 33 0B 1 -2,-0.8 16,-2.7 16,-0.5 2,-0.3 -0.997 24.9 176.1-138.8 135.6 -3.5 6.3 52.7 63 65 A V E +CE 32 77B 1 -31,-1.6 -32,-1.9 -2,-0.4 -31,-1.3 -0.918 22.9 145.0-122.2 163.2 -4.8 9.4 51.2 64 66 A G E -CE 30 76B 0 12,-2.8 12,-2.9 -2,-0.3 2,-0.4 -0.947 43.6 -98.8-172.3-170.7 -5.4 12.7 53.1 65 67 A T E -CE 29 75B 39 -36,-1.6 -36,-3.0 -2,-0.3 2,-0.3 -0.993 49.3 -95.4-135.4 132.2 -5.3 16.4 53.1 66 68 A V E C 28 0B 25 8,-1.9 7,-1.0 -2,-0.4 -38,-0.3 -0.326 360.0 360.0 -58.3 112.4 -2.5 18.5 54.6 67 69 A A 0 0 61 -40,-2.5 -39,-0.2 -2,-0.3 -1,-0.1 0.688 360.0 360.0-104.6 360.0 -3.3 19.4 58.2 68 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 69 77 A G 0 0 125 0, 0.0 2,-0.3 0, 0.0 709,-0.0 0.000 360.0 360.0 360.0 49.2 6.2 23.2 47.7 70 78 A F - 0 0 64 -4,-0.0 2,-0.2 4,-0.0 3,-0.0 -0.901 360.0-131.4-153.8 119.5 2.9 22.0 49.2 71 79 A G > - 0 0 34 -2,-0.3 3,-2.5 1,-0.1 2,-0.3 -0.467 27.3-114.2 -72.4 134.2 -0.3 24.0 50.0 72 80 A V T 3 S+ 0 0 126 1,-0.3 -5,-0.1 -2,-0.2 -1,-0.1 -0.561 111.6 34.1 -62.8 123.4 -2.0 23.6 53.4 73 81 A G T 3 S+ 0 0 48 -7,-1.0 -1,-0.3 -2,-0.3 2,-0.1 0.221 85.5 145.9 105.6 -13.9 -5.3 22.0 52.3 74 82 A D < - 0 0 65 -3,-2.5 -8,-1.9 -9,-0.1 2,-0.5 -0.355 48.7-130.9 -58.7 129.4 -3.8 19.9 49.4 75 83 A A E +E 65 0B 30 -10,-0.2 57,-2.5 -2,-0.1 58,-0.8 -0.757 42.4 166.0 -83.4 122.4 -5.3 16.5 48.8 76 84 A V E -EF 64 131B 0 -12,-2.9 -12,-2.8 -2,-0.5 2,-0.3 -0.877 31.2-133.7-140.3 165.6 -2.5 14.0 48.5 77 85 A A E -EF 63 130B 2 53,-1.8 53,-2.1 -2,-0.3 2,-0.7 -0.919 25.7-116.3-128.7 149.1 -1.7 10.2 48.6 78 86 A V E - F 0 129B 0 -16,-2.7 -16,-0.5 -2,-0.3 2,-0.4 -0.775 14.7-141.3-100.7 114.1 1.0 8.4 50.5 79 87 A Y - 0 0 1 49,-2.0 3,-0.2 -2,-0.7 66,-0.1 -0.590 22.9-155.8 -66.0 125.8 3.7 6.6 48.6 80 88 A G + 0 0 0 64,-0.4 2,-2.4 -2,-0.4 -1,-0.1 0.981 67.0 64.3 -78.8 -63.8 4.2 3.4 50.6 81 89 A P S S- 0 0 3 0, 0.0 17,-0.2 0, 0.0 -1,-0.2 -0.323 71.9-164.7 -76.6 75.0 7.6 1.7 50.4 82 90 A W + 0 0 18 -2,-2.4 2,-0.2 -3,-0.2 24,-0.1 -0.216 13.7 169.3 -62.4 141.1 9.9 4.4 51.9 83 91 A G - 0 0 0 7,-0.1 12,-0.1 18,-0.1 13,-0.1 -0.791 51.1 -75.0-139.5-174.7 13.6 4.2 51.4 84 92 A C - 0 0 31 -2,-0.2 -2,-0.1 1,-0.1 11,-0.0 0.773 49.2-142.8 -59.5 -31.7 16.8 6.2 51.9 85 93 A G S S+ 0 0 11 10,-0.0 -1,-0.1 42,-0.0 8,-0.1 0.379 84.9 72.1 86.0 -0.3 16.1 8.5 48.9 86 94 A A + 0 0 58 4,-0.0 -1,-0.0 5,-0.0 2,-0.0 0.474 68.7 92.3-131.2 -9.4 19.8 8.5 48.1 87 95 A C S > S- 0 0 18 1,-0.1 4,-2.1 8,-0.0 5,-0.2 -0.185 91.1 -93.5 -79.2-178.3 20.9 5.1 46.6 88 96 A H H > S+ 0 0 68 1,-0.2 4,-0.8 2,-0.2 6,-0.2 0.921 127.9 44.0 -61.4 -42.1 21.1 4.2 42.9 89 97 A A H >4>S+ 0 0 11 1,-0.2 5,-2.8 2,-0.2 3,-0.7 0.925 113.1 49.8 -66.7 -46.1 17.5 2.8 43.1 90 98 A C H >45S+ 0 0 1 1,-0.3 3,-1.8 3,-0.2 5,-0.2 0.823 103.5 59.7 -68.2 -32.3 16.1 5.6 45.2 91 99 A A H 3<5S+ 0 0 0 -4,-2.1 -1,-0.3 1,-0.3 891,-0.2 0.793 104.4 51.1 -65.9 -29.4 17.4 8.3 42.9 92 100 A R T <<5S- 0 0 76 -4,-0.8 -1,-0.3 -3,-0.7 199,-0.3 0.223 124.2-109.2 -86.7 10.2 15.4 6.7 40.1 93 101 A G T < 5S+ 0 0 0 -3,-1.8 197,-3.2 1,-0.1 2,-1.1 0.602 83.0 131.2 71.3 13.1 12.4 6.9 42.5 94 102 A R > < + 0 0 49 -5,-2.8 3,-3.0 195,-0.2 -4,-0.2 -0.232 16.3 149.4 -89.9 49.9 12.6 3.1 42.8 95 103 A E G > + 0 0 4 -2,-1.1 3,-2.2 1,-0.3 -1,-0.2 0.767 59.7 72.1 -67.0 -22.0 12.3 3.2 46.6 96 104 A N G 3 S+ 0 0 8 192,-0.5 -1,-0.3 -3,-0.3 193,-0.1 0.733 104.8 41.6 -56.3 -24.0 10.6 -0.2 46.7 97 105 A Y G < S+ 0 0 6 -3,-3.0 -1,-0.3 1195,-0.1 -2,-0.2 0.010 84.6 149.3-113.6 25.9 14.0 -1.7 45.7 98 106 A C < - 0 0 19 -3,-2.2 4,-0.3 -17,-0.2 3,-0.1 -0.371 36.4-155.2 -61.8 135.5 16.0 0.6 48.1 99 107 A T S S+ 0 0 49 1,-0.2 4,-0.4 2,-0.1 -1,-0.1 0.701 85.0 46.1 -87.2 -19.1 19.2 -1.2 49.3 100 108 A R S > S+ 0 0 103 2,-0.1 4,-2.0 1,-0.1 5,-0.2 0.542 84.5 86.3-105.7 -9.5 19.7 0.8 52.5 101 109 A A H >>S+ 0 0 10 2,-0.2 5,-1.9 1,-0.2 4,-0.8 0.942 88.6 51.9 -65.3 -50.4 16.3 0.9 54.2 102 110 A A H >45S+ 0 0 88 -4,-0.3 3,-2.1 1,-0.2 -1,-0.2 0.969 115.4 42.9 -42.4 -60.6 16.6 -2.4 56.0 103 111 A D H 345S+ 0 0 125 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.735 116.3 46.0 -68.0 -22.5 19.9 -1.4 57.5 104 112 A L H 3<5S- 0 0 101 -4,-2.0 -1,-0.3 -3,-0.2 -2,-0.2 0.452 114.1-120.7 -92.9 0.4 18.8 2.1 58.3 105 113 A G T <<5 + 0 0 60 -3,-2.1 2,-0.6 -4,-0.8 -3,-0.2 0.987 53.2 161.1 54.6 64.7 15.6 0.7 59.8 106 114 A I < + 0 0 53 -5,-1.9 -1,-0.2 -24,-0.1 -2,-0.1 -0.971 12.0 177.8-118.4 117.2 13.2 2.5 57.4 107 115 A T - 0 0 51 -2,-0.6 5,-0.2 5,-0.1 3,-0.1 -0.885 30.3-104.0-124.4 149.9 9.8 0.9 57.3 108 116 A P > > - 0 0 16 0, 0.0 3,-2.2 0, 0.0 5,-1.5 -0.284 48.2 -89.1 -69.1 155.2 6.5 1.8 55.5 109 117 A P B 3 5S+h 113 0C 0 0, 0.0 6,-0.2 0, 0.0 7,-0.1 -0.415 120.6 21.6 -61.1 143.4 3.6 3.4 57.4 110 118 A G T 3 5S+ 0 0 2 3,-2.1 -51,-0.4 -53,-0.4 -50,-0.2 0.459 120.5 71.5 71.2 2.4 1.3 0.7 58.8 111 119 A L T < 5S- 0 0 24 -3,-2.2 -53,-0.1 2,-0.2 -1,-0.0 0.018 132.7 -32.3-138.9 30.9 4.4 -1.6 58.4 112 120 A G T 5S+ 0 0 28 1,-0.8 -5,-0.1 -55,-0.2 -58,-0.0 0.104 129.9 71.1 138.0 -11.3 6.8 -0.5 61.2 113 121 A S B - 0 0 30 -100,-0.1 3,-1.8 1,-0.1 -99,-0.1 -0.975 69.7-122.2-144.0 151.5 9.5 13.3 53.9 126 134 A A G > S+ 0 0 51 -2,-0.3 3,-1.0 1,-0.3 -1,-0.1 0.744 105.0 66.2 -66.2 -30.6 7.9 15.6 51.2 127 135 A R G 3 S+ 0 0 66 1,-0.2 -1,-0.3 3,-0.0 -42,-0.0 0.605 87.2 73.0 -64.0 -14.2 8.8 13.3 48.3 128 136 A H G < S+ 0 0 0 -3,-1.8 -49,-2.0 -50,-0.1 2,-0.4 0.155 81.7 84.3 -94.1 22.6 6.4 10.7 49.6 129 137 A L E < -F 78 0B 10 -3,-1.0 -51,-0.2 -51,-0.2 -53,-0.0 -0.991 57.7-163.6-128.1 129.1 3.2 12.6 48.7 130 138 A V E -F 77 0B 8 -53,-2.1 -53,-1.8 -2,-0.4 2,-0.1 -0.959 27.2-120.1-115.2 120.4 1.6 12.5 45.3 131 139 A P E +F 76 0B 81 0, 0.0 -55,-0.2 0, 0.0 -57,-0.0 -0.387 29.8 178.8 -59.4 129.4 -1.0 15.3 44.5 132 140 A I > - 0 0 1 -57,-2.5 3,-1.2 1,-0.2 -56,-0.2 0.424 17.6-161.9-113.4 -3.4 -4.4 13.8 43.7 133 141 A G T 3 - 0 0 43 -58,-0.8 -1,-0.2 1,-0.2 2,-0.1 -0.184 66.9 -16.0 57.3-144.7 -6.4 17.0 43.1 134 142 A D T 3 S+ 0 0 138 2,-0.1 2,-0.3 167,-0.0 -1,-0.2 -0.010 95.6 135.8 -84.0 30.3 -10.2 16.7 43.3 135 143 A L < - 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