==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 12-DEC-12 4IDG . COMPND 2 MOLECULE: SHORT-CHAIN DEHYDROGENASE/REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM FABRUM; . AUTHOR M.W.VETTING,F.GRONINGER-POE,L.L.MORISCO,S.R.WASSERMAN,S.SOJI . 656 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28715.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 461 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 97 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 2.1 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 48 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 221 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.0 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 2 0 2 5 0 1 2 6 2 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 3 4 6 0 2 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 . 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 2 0 0 2 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 0 A H 0 0 191 0, 0.0 25,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 69.1 17.5 23.7 36.8 2 1 A M E -a 59 0A 20 56,-0.8 58,-3.2 23,-0.1 59,-1.4 -0.662 360.0-149.0 -83.9 133.2 13.8 22.7 36.9 3 2 A I E -ab 61 27A 5 23,-2.4 25,-2.8 -2,-0.4 2,-0.5 -0.883 4.5-150.6-102.0 127.0 13.0 19.1 37.7 4 3 A L E -ab 62 28A 0 57,-3.0 59,-3.7 -2,-0.5 2,-0.5 -0.860 11.3-171.3 -97.2 124.9 10.0 17.5 36.2 5 4 A V E > -ab 63 29A 0 23,-2.5 25,-1.2 -2,-0.5 3,-0.6 -0.956 5.3-161.2-117.1 112.4 8.3 14.7 38.3 6 5 A T E 3 S+ab 64 30A 1 57,-2.1 59,-1.0 -2,-0.5 25,-0.2 -0.585 80.5 34.0 -84.5 156.8 5.6 12.7 36.6 7 6 A G T > S+ 0 0 11 23,-2.0 3,-1.9 58,-0.2 6,-0.5 0.768 76.6 152.0 68.0 25.8 3.3 10.8 38.9 8 7 A S T < + 0 0 5 22,-1.0 23,-0.1 -3,-0.6 9,-0.1 0.540 64.4 55.7 -72.3 -7.9 3.7 13.6 41.3 9 8 A A T 3 S+ 0 0 5 21,-0.2 -1,-0.3 4,-0.1 22,-0.1 0.465 96.5 91.0 -96.8 -2.4 0.3 13.1 42.9 10 9 A G S <> S- 0 0 19 -3,-1.9 4,-2.5 1,-0.0 5,-0.4 -0.192 94.6 -89.0 -88.8-179.7 1.2 9.5 43.7 11 10 A R H > S+ 0 0 62 2,-0.2 4,-0.8 1,-0.2 5,-0.1 0.923 124.4 24.3 -53.8 -55.1 2.7 7.7 46.7 12 11 A V H > S+ 0 0 18 2,-0.2 4,-2.2 1,-0.1 3,-0.2 0.926 121.7 55.9 -81.1 -46.0 6.4 8.0 45.6 13 12 A G H > S+ 0 0 2 -6,-0.5 4,-2.5 1,-0.2 -5,-0.2 0.887 105.9 48.8 -54.3 -46.7 6.0 11.0 43.4 14 13 A R H X S+ 0 0 108 -4,-2.5 4,-2.0 -7,-0.4 -1,-0.2 0.880 112.0 49.7 -67.9 -31.7 4.5 13.3 45.9 15 14 A A H X S+ 0 0 28 -4,-0.8 4,-1.8 -5,-0.4 -1,-0.2 0.841 110.1 51.1 -74.9 -33.4 7.1 12.5 48.5 16 15 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.926 110.1 49.2 -64.4 -44.7 9.9 13.1 45.9 17 16 A V H X S+ 0 0 12 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.917 111.0 50.4 -63.1 -39.7 8.4 16.5 45.1 18 17 A A H X S+ 0 0 52 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.859 110.1 49.1 -67.1 -37.9 8.2 17.4 48.8 19 18 A A H X S+ 0 0 26 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.945 112.8 47.7 -66.2 -47.7 11.8 16.4 49.4 20 19 A L H <>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 3,-0.4 0.914 113.2 46.8 -57.9 -48.4 13.1 18.4 46.4 21 20 A R H ><5S+ 0 0 71 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.830 106.7 58.3 -66.4 -29.7 11.1 21.5 47.4 22 21 A T H 3<5S+ 0 0 127 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.789 103.2 54.5 -69.0 -26.6 12.3 21.2 51.0 23 22 A Q T 3<5S- 0 0 104 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.488 122.4-114.2 -78.6 -6.2 15.7 21.5 49.4 24 23 A G T < 5 + 0 0 66 -3,-1.3 -3,-0.2 1,-0.3 2,-0.2 0.652 66.5 149.7 82.2 15.9 14.5 24.7 47.8 25 24 A R < - 0 0 72 -5,-2.3 2,-0.5 -6,-0.2 -1,-0.3 -0.496 53.5-109.3 -85.5 152.1 14.8 23.2 44.3 26 25 A T + 0 0 89 -25,-0.4 -23,-2.4 -2,-0.2 2,-0.4 -0.711 46.3 174.8 -83.2 121.5 12.6 24.2 41.4 27 26 A V E -b 3 0A 6 -2,-0.5 2,-0.4 -25,-0.2 13,-0.3 -0.966 22.4-161.0-131.7 141.7 10.1 21.4 40.6 28 27 A R E -b 4 0A 32 -25,-2.8 -23,-2.5 -2,-0.4 13,-0.3 -0.996 17.2-146.4-119.0 128.8 7.2 21.0 38.2 29 28 A G E -bc 5 41A 1 11,-2.5 13,-3.0 -2,-0.4 2,-0.3 -0.451 10.0-167.6 -87.0 166.1 4.7 18.2 38.8 30 29 A F E +bc 6 42A 2 -25,-1.2 -23,-2.0 11,-0.2 -22,-1.0 -0.839 28.3 131.1-155.6 107.2 2.8 16.2 36.1 31 30 A D E - c 0 43A 20 11,-2.2 13,-2.0 -2,-0.3 4,-0.1 -0.985 64.7-107.2-155.8 160.7 -0.2 14.0 37.1 32 31 A L S S+ 0 0 123 -2,-0.3 13,-0.1 11,-0.2 11,-0.1 0.737 106.8 30.7 -59.3 -25.0 -3.8 13.2 36.0 33 32 A R S S- 0 0 129 9,-0.1 11,-0.1 11,-0.1 9,-0.1 -0.890 97.7 -88.1-133.8 160.1 -5.0 15.0 39.2 34 33 A P - 0 0 80 0, 0.0 -2,-0.1 0, 0.0 9,-0.0 -0.349 27.5-134.8 -65.5 153.6 -3.7 17.9 41.4 35 34 A S - 0 0 34 4,-0.2 -21,-0.0 -4,-0.1 8,-0.0 0.828 33.4-126.1 -74.7 -34.4 -1.3 17.0 44.2 36 35 A G S S+ 0 0 74 3,-0.1 -27,-0.0 -3,-0.0 -1,-0.0 0.463 88.6 100.1 97.7 6.2 -3.3 19.2 46.6 37 36 A T S S- 0 0 97 2,-0.1 3,-0.1 3,-0.0 0, 0.0 0.553 84.7-130.8 -99.1 -13.3 -0.1 21.1 47.5 38 37 A G + 0 0 76 1,-0.2 3,-0.1 3,-0.0 2,-0.0 0.491 62.1 135.0 75.8 2.1 -0.7 24.1 45.3 39 38 A G S S- 0 0 24 1,-0.2 -1,-0.2 -11,-0.0 -4,-0.2 -0.271 70.7 -69.4 -77.2 168.6 2.8 23.8 43.9 40 39 A E S S+ 0 0 99 -13,-0.3 -11,-2.5 -3,-0.1 2,-0.3 -0.398 73.5 144.1 -65.4 129.9 3.5 24.1 40.2 41 40 A E E -c 29 0A 47 -13,-0.3 2,-0.5 -2,-0.2 -11,-0.2 -0.984 49.1-119.7-163.6 146.3 2.2 21.1 38.3 42 41 A V E -c 30 0A 27 -13,-3.0 -11,-2.2 -2,-0.3 2,-0.8 -0.833 20.3-153.9 -88.1 129.5 0.6 20.0 35.0 43 42 A V E +c 31 0A 82 -2,-0.5 2,-0.3 -13,-0.2 -11,-0.2 -0.925 58.4 80.5 -99.8 107.4 -2.9 18.5 35.5 44 43 A G S S- 0 0 19 -13,-2.0 2,-0.3 -2,-0.8 -11,-0.1 -0.977 74.1 -68.1 173.8-175.0 -3.1 16.2 32.5 45 44 A S > - 0 0 27 -2,-0.3 3,-1.7 -13,-0.1 6,-0.2 -0.774 19.0-135.0-114.3 147.8 -2.1 12.9 30.8 46 45 A L T 3 S+ 0 0 15 -2,-0.3 43,-0.1 1,-0.3 -1,-0.1 0.678 109.7 62.3 -64.3 -18.0 1.0 11.3 29.6 47 46 A E T 3 S+ 0 0 65 1,-0.1 2,-0.7 42,-0.0 -1,-0.3 0.609 85.5 89.8 -80.5 -13.9 -1.1 10.3 26.5 48 47 A D <> - 0 0 76 -3,-1.7 4,-2.0 1,-0.2 3,-0.2 -0.780 62.2-161.2 -94.0 110.8 -1.6 14.0 25.7 49 48 A G H > S+ 0 0 30 -2,-0.7 4,-1.9 1,-0.2 -1,-0.2 0.828 92.8 54.0 -58.4 -34.5 1.1 15.3 23.4 50 49 A Q H > S+ 0 0 120 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.903 107.7 49.0 -67.3 -42.6 0.2 18.9 24.3 51 50 A A H > S+ 0 0 7 -6,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.866 109.3 53.4 -63.7 -37.3 0.6 18.1 28.0 52 51 A L H X S+ 0 0 7 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.920 110.4 46.6 -65.0 -43.3 4.0 16.5 27.4 53 52 A S H X S+ 0 0 70 -4,-1.9 4,-0.9 1,-0.2 -2,-0.2 0.902 114.5 47.0 -65.3 -45.0 5.2 19.6 25.5 54 53 A D H < S+ 0 0 77 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.898 112.4 51.2 -58.7 -44.5 3.9 21.9 28.3 55 54 A A H < S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.844 109.9 47.9 -66.1 -35.3 5.4 19.8 31.0 56 55 A I H >< S+ 0 0 9 -4,-1.8 3,-2.2 -5,-0.1 -1,-0.2 0.612 77.1 120.6 -87.5 -14.1 8.9 19.6 29.4 57 56 A M T 3< S- 0 0 123 -4,-0.9 37,-0.0 -3,-0.4 -3,-0.0 -0.319 90.7 -1.9 -57.8 124.0 9.5 23.3 28.7 58 57 A G T 3 S+ 0 0 68 1,-0.2 -56,-0.8 39,-0.1 2,-0.3 0.559 96.0 151.8 75.9 10.8 12.6 24.6 30.5 59 58 A V E < -a 2 0A 8 -3,-2.2 -1,-0.2 1,-0.1 -56,-0.2 -0.578 29.4-177.9 -86.5 135.9 13.2 21.3 32.2 60 59 A S E S+ 0 0 25 -58,-3.2 40,-2.7 1,-0.3 41,-1.0 0.678 72.0 12.6-100.4 -27.4 16.7 20.2 33.2 61 60 A A E -ad 3 101A 8 -59,-1.4 -57,-3.0 38,-0.2 2,-0.4 -0.994 63.9-146.6-153.3 149.2 15.9 16.7 34.6 62 61 A V E -ad 4 102A 0 39,-2.4 41,-2.9 -2,-0.3 2,-0.7 -0.979 5.7-166.5-126.6 128.2 13.0 14.3 34.6 63 62 A L E -ad 5 103A 0 -59,-3.7 -57,-2.1 -2,-0.4 2,-1.2 -0.931 18.3-160.5-107.9 103.7 11.9 11.9 37.3 64 63 A H E +ad 6 104A 1 39,-2.8 41,-2.0 -2,-0.7 -57,-0.1 -0.678 38.5 137.1 -95.2 89.9 9.4 9.7 35.4 65 64 A L + 0 0 24 -2,-1.2 2,-0.3 -59,-1.0 -58,-0.2 0.546 34.9 112.2-108.0 -12.8 7.3 7.9 38.0 66 65 A G + 0 0 7 -3,-0.2 2,-0.3 -36,-0.1 39,-0.1 -0.467 39.7 135.7 -68.6 126.4 3.9 8.3 36.4 67 66 A A - 0 0 46 -2,-0.3 2,-0.5 2,-0.0 12,-0.1 -0.975 48.9-119.1-164.6 159.5 2.5 5.0 35.2 68 67 A F - 0 0 64 -2,-0.3 2,-0.5 11,-0.3 15,-0.1 -0.915 22.3-169.7-109.1 128.3 -0.8 3.0 35.2 69 68 A M + 0 0 80 -2,-0.5 2,-0.3 14,-0.0 -2,-0.0 -0.955 18.6 160.3-122.0 113.2 -0.9 -0.4 36.9 70 69 A S - 0 0 22 -2,-0.5 63,-0.2 1,-0.1 -2,-0.0 -0.959 33.9-161.8-137.7 153.6 -4.0 -2.5 36.3 71 70 A W + 0 0 140 -2,-0.3 -1,-0.1 61,-0.1 5,-0.1 0.829 67.2 85.9 -97.9 -42.7 -5.1 -6.2 36.5 72 71 A A S > S- 0 0 49 1,-0.1 3,-1.4 3,-0.1 4,-0.2 -0.329 74.9-131.2 -69.7 142.7 -8.2 -6.4 34.3 73 72 A P G > S+ 0 0 93 0, 0.0 3,-1.7 0, 0.0 4,-0.5 0.798 103.8 67.8 -60.1 -32.4 -7.8 -7.0 30.5 74 73 A A G 3 S+ 0 0 94 1,-0.3 4,-0.2 2,-0.1 3,-0.1 0.675 102.0 47.6 -64.4 -17.5 -10.1 -4.1 29.7 75 74 A D G <> S+ 0 0 64 -3,-1.4 4,-2.3 1,-0.1 -1,-0.3 0.401 86.1 93.7 -99.9 -0.2 -7.5 -1.7 31.1 76 75 A R H <> S+ 0 0 73 -3,-1.7 4,-2.3 1,-0.2 5,-0.2 0.890 81.9 50.7 -66.0 -42.0 -4.6 -3.3 29.1 77 76 A D H > S+ 0 0 85 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.917 112.9 48.0 -60.6 -44.1 -4.7 -1.0 26.1 78 77 A R H > S+ 0 0 127 -4,-0.2 4,-2.8 2,-0.2 5,-0.3 0.889 108.3 54.5 -64.5 -40.0 -4.7 2.0 28.4 79 78 A M H X S+ 0 0 3 -4,-2.3 4,-2.6 1,-0.2 5,-0.4 0.909 111.4 44.6 -63.3 -41.0 -1.8 0.6 30.4 80 79 A F H X>S+ 0 0 9 -4,-2.3 4,-1.9 2,-0.2 5,-1.9 0.918 112.8 51.8 -68.5 -39.7 0.3 0.2 27.2 81 80 A A H <>S+ 0 0 29 -4,-2.5 5,-1.8 -5,-0.2 -2,-0.2 0.929 119.2 35.7 -60.3 -44.9 -0.7 3.7 26.0 82 81 A V H <5S+ 0 0 15 -4,-2.8 5,-0.3 3,-0.2 -2,-0.2 0.934 125.9 35.4 -74.7 -48.7 0.4 5.3 29.3 83 82 A N H <5S+ 0 0 2 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.812 131.3 22.4 -81.3 -36.0 3.4 3.2 30.2 84 83 A V T X5S+ 0 0 13 -4,-1.9 4,-2.8 -5,-0.4 -3,-0.2 0.880 131.2 33.0 -99.5 -62.1 5.0 2.5 26.9 85 84 A E H > S+ 0 0 2 -5,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.909 110.0 54.5 -66.8 -42.2 7.2 7.0 28.1 88 87 A R H X S+ 0 0 5 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.950 113.3 40.5 -56.4 -49.1 8.4 6.9 24.5 89 88 A R H X S+ 0 0 67 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.849 112.3 55.1 -74.3 -30.8 7.2 10.4 23.7 90 89 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 -5,-0.2 -1,-0.2 0.920 109.6 48.7 -66.3 -41.3 8.3 11.8 27.0 91 90 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.923 112.2 47.4 -58.7 -48.9 11.8 10.5 26.3 92 91 A D H X S+ 0 0 44 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.908 114.4 47.5 -63.1 -40.4 11.8 12.0 22.8 93 92 A A H X S+ 0 0 28 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.926 112.8 48.5 -66.9 -44.9 10.5 15.3 24.2 94 93 A A H <>S+ 0 0 0 -4,-2.7 5,-2.3 2,-0.2 3,-0.3 0.956 113.0 48.0 -57.1 -52.6 13.0 15.3 27.0 95 94 A S H ><5S+ 0 0 45 -4,-3.0 3,-1.7 1,-0.2 -2,-0.2 0.922 111.6 48.5 -56.4 -49.3 15.9 14.6 24.6 96 95 A A H 3<5S+ 0 0 93 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.795 108.9 55.3 -63.4 -28.3 14.9 17.2 22.1 97 96 A A T 3<5S- 0 0 52 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.409 117.8-111.5 -85.4 1.9 14.6 19.8 24.9 98 97 A G T < 5 - 0 0 54 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.743 47.9-179.8 74.5 23.3 18.2 19.1 26.1 99 98 A V < - 0 0 5 -5,-2.3 -38,-0.2 -6,-0.2 -1,-0.2 -0.309 20.0-148.8 -53.7 136.3 17.2 17.5 29.4 100 99 A R S S+ 0 0 169 -40,-2.7 54,-2.6 1,-0.3 2,-0.3 0.881 72.5 13.7 -83.2 -39.8 20.4 16.5 31.1 101 100 A R E -de 61 154A 20 -41,-1.0 -39,-2.4 52,-0.2 2,-0.4 -1.000 56.5-165.7-142.6 141.5 19.2 13.4 33.0 102 101 A F E -de 62 155A 0 52,-2.3 54,-2.0 -2,-0.3 2,-0.5 -0.986 8.5-164.5-129.6 118.8 16.1 11.2 32.8 103 102 A V E -de 63 156A 1 -41,-2.9 -39,-2.8 -2,-0.4 2,-0.5 -0.900 9.3-156.7-107.8 126.7 15.4 8.7 35.7 104 103 A F E -de 64 157A 2 52,-3.2 54,-2.8 -2,-0.5 2,-0.9 -0.894 11.3-139.1-111.1 129.1 12.9 6.0 34.9 105 104 A A E + e 0 158A 5 -41,-2.0 54,-0.2 -2,-0.5 2,-0.1 -0.769 33.3 168.8 -83.6 110.8 10.9 4.1 37.5 106 105 A S E - e 0 159A 2 52,-3.5 54,-1.7 -2,-0.9 2,-0.3 -0.236 22.8-125.2-102.3-162.1 10.8 0.4 36.5 107 106 A S E > - e 0 160A 15 52,-0.3 3,-1.8 27,-0.1 54,-0.1 -0.977 21.3-115.2-149.1 154.1 9.6 -2.5 38.6 108 107 A G G > >S+ 0 0 2 52,-1.4 5,-1.7 -2,-0.3 3,-1.4 0.586 105.6 83.0 -65.2 -10.5 10.8 -5.9 40.0 109 108 A E G 3 5S+ 0 0 59 3,-0.3 21,-0.3 1,-0.2 22,-0.3 0.640 73.3 73.8 -69.2 -11.6 8.0 -7.2 37.7 110 109 A V G < 5S+ 0 0 0 -3,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.723 111.4 25.3 -72.4 -17.1 10.5 -7.1 34.8 111 110 A Y T < 5S- 0 0 1 -3,-1.4 17,-2.2 16,-0.3 -2,-0.2 0.979 115.3-120.3 -77.5 -57.6 12.3 -10.1 36.2 112 111 A P T > 5 - 0 0 5 0, 0.0 3,-1.9 0, 0.0 -3,-0.3 0.596 31.7-164.7 -99.3 151.2 9.8 -11.1 37.6 113 112 A E T 3 - 0 0 41 -2,-0.6 3,-2.0 168,-0.2 170,-0.1 -0.582 42.5 -97.8-104.0 172.0 20.5 -9.1 40.7 123 122 A E T 3 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192 A F H 3<5S- 0 0 73 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.606 115.3-121.6 -65.0 -12.5 -10.9 -9.1 41.4 194 193 A G T <<5 + 0 0 57 -3,-1.0 2,-1.9 -4,-0.6 -3,-0.2 0.580 64.4 145.6 81.0 10.0 -13.5 -11.8 40.5 195 194 A N >< + 0 0 74 -5,-2.1 4,-2.7 1,-0.2 3,-0.4 -0.530 20.5 174.1 -81.1 77.5 -11.3 -14.6 41.9 196 195 A A H > S+ 0 0 68 -2,-1.9 4,-2.4 1,-0.2 5,-0.3 0.886 70.7 48.9 -55.0 -54.8 -14.3 -16.7 43.2 197 196 A A H > S+ 0 0 71 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.836 115.7 45.8 -58.1 -35.5 -12.5 -19.8 44.3 198 197 A I H > S+ 0 0 44 -3,-0.4 4,-2.8 2,-0.2 5,-0.2 0.941 111.3 50.2 -71.8 -49.9 -10.0 -17.8 46.2 199 198 A A H X S+ 0 0 6 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.845 113.6 46.1 -59.3 -36.3 -12.5 -15.4 47.9 200 199 A E H X S+ 0 0 139 -4,-2.4 4,-1.2 -5,-0.2 -1,-0.2 0.820 110.5 53.9 -78.0 -30.4 -14.6 -18.4 49.0 201 200 A L H >X S+ 0 0 55 -4,-1.3 4,-0.6 -5,-0.3 3,-0.6 0.965 110.2 46.3 -61.2 -54.2 -11.5 -20.2 50.3 202 201 A L H >X S+ 0 0 0 -4,-2.8 3,-1.7 1,-0.3 4,-0.5 0.915 109.7 54.8 -55.6 -45.7 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