==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 13-DEC-06 2O9A . COMPND 2 MOLECULE: ACETATE OPERON REPRESSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR V.V.LUNIN,A.EZERSKY,E.EVDOKIMOVA,M.KUDRITSKA,A.SAVCHENKO . 723 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30723.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 505 69.8 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 . 145 20.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 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 . 41 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 255 35.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.1 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 3 0 2 1 2 0 0 4 0 0 0 4 0 0 1 1 1 0 1 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 . 0 3 3 4 2 4 2 0 4 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 0 0 4 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 G 0 0 49 0, 0.0 2,-0.3 0, 0.0 134,-0.1 0.000 360.0 360.0 360.0 157.3 10.6 -1.8 -54.7 2 2 A H - 0 0 45 235,-0.0 2,-0.5 28,-0.0 179,-0.3 -0.980 360.0-146.1-150.6 120.2 7.0 -3.1 -54.5 3 3 A M + 0 0 4 236,-0.4 236,-2.8 -2,-0.3 2,-0.3 -0.833 19.6 176.7 -94.2 132.1 5.3 -5.4 -52.0 4 4 A S > - 0 0 7 -2,-0.5 4,-2.6 234,-0.2 5,-0.2 -0.726 45.9-105.5-113.8 165.1 2.6 -7.7 -53.1 5 5 A R H > S+ 0 0 53 221,-0.4 4,-2.9 -2,-0.3 5,-0.2 0.910 122.9 55.1 -55.0 -41.9 0.7 -10.4 -51.0 6 6 A N H > S+ 0 0 75 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.928 108.6 46.2 -62.3 -43.9 2.8 -13.0 -52.8 7 7 A L H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.914 110.8 52.8 -64.8 -43.6 6.1 -11.3 -51.8 8 8 A L H X S+ 0 0 12 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.918 109.2 50.7 -52.7 -45.6 4.8 -11.0 -48.2 9 9 A A H < S+ 0 0 58 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.872 109.2 51.5 -58.7 -40.5 4.1 -14.7 -48.3 10 10 A I H < S+ 0 0 68 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.916 118.3 34.9 -66.8 -43.3 7.6 -15.4 -49.5 11 11 A V H >X S+ 0 0 3 -4,-2.5 4,-1.5 1,-0.2 3,-1.3 0.559 88.6 98.6 -89.9 -10.8 9.3 -13.4 -46.8 12 12 A H H 3X S+ 0 0 29 -4,-1.7 4,-2.8 1,-0.2 5,-0.2 0.843 78.0 58.8 -42.1 -46.5 6.9 -14.2 -44.0 13 13 A P H 3> S+ 0 0 65 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.845 102.8 52.6 -57.6 -34.2 9.2 -16.9 -42.6 14 14 A I H <> S+ 0 0 20 -3,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.910 112.7 45.1 -64.7 -42.5 12.0 -14.4 -42.1 15 15 A L H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.904 114.1 48.5 -69.9 -41.0 9.6 -12.2 -40.1 16 16 A R H X S+ 0 0 103 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.893 110.5 51.4 -67.0 -39.2 8.3 -15.2 -38.2 17 17 A N H X S+ 0 0 90 -4,-2.8 4,-2.8 -5,-0.2 -2,-0.2 0.926 110.2 49.5 -61.8 -42.1 11.9 -16.4 -37.4 18 18 A L H X S+ 0 0 3 -4,-2.2 4,-2.6 2,-0.2 6,-0.4 0.867 109.3 50.6 -63.2 -40.9 12.8 -12.9 -36.1 19 19 A M H X>S+ 0 0 13 -4,-2.1 4,-2.5 2,-0.2 5,-0.5 0.926 114.0 46.2 -63.6 -47.0 9.7 -12.7 -33.9 20 20 A E H <5S+ 0 0 118 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.934 115.7 45.1 -60.0 -43.5 10.7 -16.1 -32.4 21 21 A E H <5S+ 0 0 114 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.891 123.7 33.8 -70.4 -38.1 14.3 -15.2 -32.0 22 22 A S H <5S- 0 0 11 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.753 96.2-136.9 -88.3 -28.0 13.6 -11.7 -30.4 23 23 A G T <5S+ 0 0 21 -4,-2.5 2,-0.3 -5,-0.3 25,-0.2 0.642 71.1 100.6 75.6 16.3 10.4 -12.8 -28.6 24 24 A E S > - B 0 37A 23 5,-3.0 4,-1.5 -2,-0.6 5,-0.9 -0.800 14.4-168.1 -81.0 110.4 5.3 6.4 -48.8 33 33 A Q T 45S+ 0 0 130 -2,-0.9 -1,-0.2 2,-0.2 -2,-0.0 0.699 81.5 52.3 -79.2 -19.8 7.5 8.5 -51.1 34 34 A S T 45S+ 0 0 104 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.940 126.0 20.7 -69.5 -52.6 4.7 11.0 -51.8 35 35 A D T 45S- 0 0 83 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.382 101.0-125.1-105.4 -0.5 3.7 11.8 -48.2 36 36 A H T <5 + 0 0 93 -4,-1.5 2,-0.3 1,-0.2 26,-0.2 0.975 61.6 133.6 47.7 72.3 7.0 10.7 -46.5 37 37 A E E < -B 32 0A 34 -5,-0.9 -5,-3.0 24,-0.1 2,-0.6 -0.954 56.9-124.1-139.7 158.7 5.4 8.3 -44.1 38 38 A A E -BC 31 60A 0 22,-1.1 22,-3.0 -2,-0.3 2,-0.5 -0.947 28.5-168.8-110.6 115.5 6.1 4.7 -42.8 39 39 A I E -BC 30 59A 1 -9,-2.7 -9,-2.6 -2,-0.6 2,-0.3 -0.902 20.6-129.5-108.9 122.6 3.1 2.5 -43.2 40 40 A I E +B 29 0A 0 18,-3.0 17,-2.8 -2,-0.5 -11,-0.3 -0.553 32.1 168.5 -68.5 126.5 3.0 -1.0 -41.6 41 41 A I E + 0 0 2 -13,-3.2 2,-0.3 -2,-0.3 -12,-0.2 0.506 63.0 15.5-121.4 -7.2 2.0 -3.6 -44.3 42 42 A D E +B 28 0A 5 -14,-1.6 -14,-2.5 13,-0.1 -1,-0.3 -0.982 60.1 179.1-157.0 169.3 2.7 -6.8 -42.4 43 43 A Q E -B 27 0A 2 -2,-0.3 2,-0.5 -16,-0.3 -16,-0.2 -0.954 21.0-157.4-170.5 136.1 3.4 -8.0 -38.9 44 44 A V E -B 26 0A 4 -18,-2.5 -18,-2.3 -2,-0.3 2,-0.1 -0.949 28.0-152.0-119.2 108.4 4.1 -11.2 -36.9 45 45 A Q - 0 0 44 -2,-0.5 8,-0.1 -20,-0.2 -21,-0.1 -0.480 12.3-123.3 -78.4 148.5 3.1 -10.6 -33.3 46 46 A C - 0 0 6 6,-0.3 -22,-0.1 -2,-0.1 -1,-0.1 -0.243 22.6-115.9 -75.3 176.7 4.8 -12.4 -30.4 47 47 A T S S+ 0 0 131 -2,-0.1 -1,-0.1 -24,-0.1 -23,-0.1 0.421 72.1 123.3-100.3 -0.4 2.6 -14.5 -28.0 48 48 A H - 0 0 70 -25,-0.2 551,-0.2 1,-0.1 -2,-0.1 -0.315 68.5-127.5 -57.6 144.4 3.4 -12.4 -24.9 49 49 A L S S+ 0 0 32 549,-0.1 550,-3.4 1,-0.1 2,-0.5 0.879 103.0 46.3 -58.6 -44.3 0.2 -11.0 -23.2 50 50 A M E S+F 598 0B 5 548,-0.3 2,-0.3 549,-0.1 548,-0.2 -0.915 85.5 132.2 -97.4 126.1 1.7 -7.5 -23.3 51 51 A R E -F 597 0B 34 546,-2.3 546,-2.0 -2,-0.5 2,-0.4 -0.985 62.9 -78.2-164.4 165.3 3.1 -6.8 -26.7 52 52 A M E +F 596 0B 2 95,-0.6 -6,-0.3 -2,-0.3 544,-0.2 -0.673 46.6 169.2 -74.6 128.2 3.3 -4.3 -29.5 53 53 A S + 0 0 1 542,-3.0 543,-0.1 -2,-0.4 -1,-0.1 -0.190 3.2 164.5-139.3 47.5 0.1 -4.6 -31.6 54 54 A A - 0 0 2 541,-0.1 2,-0.2 1,-0.1 540,-0.1 -0.205 43.1-107.2 -53.5 147.9 -0.1 -1.7 -34.0 55 55 A P > - 0 0 43 0, 0.0 3,-2.0 0, 0.0 -15,-0.2 -0.544 32.2 -96.4 -78.5 155.1 -2.7 -2.4 -36.8 56 56 A I T 3 S+ 0 0 3 130,-2.6 130,-0.3 1,-0.2 -15,-0.2 -0.492 119.4 34.5 -58.0 135.7 -1.8 -3.3 -40.4 57 57 A G T 3 S+ 0 0 6 -17,-2.8 -1,-0.2 1,-0.3 -16,-0.1 0.259 90.2 140.0 90.8 -8.4 -2.1 0.1 -42.2 58 58 A G < - 0 0 14 -3,-2.0 -18,-3.0 128,-0.2 2,-0.4 -0.274 47.1-133.2 -61.1 147.3 -0.8 1.9 -39.1 59 59 A K E -C 39 0A 45 -20,-0.2 -20,-0.2 -3,-0.1 -1,-0.1 -0.902 10.9-155.5-109.9 140.3 1.6 4.8 -39.6 60 60 A L E -C 38 0A 13 -22,-3.0 -22,-1.1 -2,-0.4 5,-0.1 -0.920 30.5-105.7-112.9 133.4 4.9 5.2 -37.7 61 61 A P > - 0 0 17 0, 0.0 4,-0.6 0, 0.0 7,-0.4 -0.288 20.0-133.7 -63.8 143.2 6.4 8.8 -37.4 62 62 A M T 4 S+ 0 0 31 -26,-0.2 10,-0.3 1,-0.2 3,-0.2 0.873 102.9 32.4 -62.5 -40.0 9.4 9.5 -39.5 63 63 A H T 4 S+ 0 0 19 1,-0.2 34,-0.3 5,-0.1 -1,-0.2 0.551 123.1 45.5 -96.3 -9.0 11.5 11.1 -36.8 64 64 A A T 4 S+ 0 0 0 -3,-0.2 2,-0.3 32,-0.1 -2,-0.2 0.114 97.7 63.3-134.1 19.7 10.2 9.2 -33.8 65 65 A S S X S- 0 0 2 -4,-0.6 4,-2.5 -3,-0.2 5,-0.2 -0.943 77.6-115.1-136.0 166.2 10.1 5.4 -34.6 66 66 A G H > S+ 0 0 1 -2,-0.3 4,-2.2 2,-0.2 64,-0.2 0.972 119.1 44.0 -61.2 -51.6 12.6 2.6 -35.5 67 67 A A H > S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.951 115.4 48.5 -62.2 -44.5 11.0 2.2 -39.0 68 68 A G H > S+ 0 0 0 -7,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.941 114.4 44.1 -59.0 -50.8 10.9 6.1 -39.6 69 69 A K H X S+ 0 0 0 -4,-2.5 4,-2.4 -8,-0.3 -1,-0.2 0.794 107.2 60.0 -69.0 -30.3 14.4 6.7 -38.5 70 70 A A H < S+ 0 0 3 -4,-2.2 4,-0.4 -5,-0.2 -1,-0.2 0.939 110.1 43.5 -60.0 -46.7 15.7 3.7 -40.5 71 71 A F H >< S+ 0 0 5 -4,-2.1 3,-1.7 1,-0.2 4,-0.4 0.942 112.7 51.3 -58.2 -50.8 14.3 5.5 -43.6 72 72 A L H >< S+ 0 0 6 -4,-2.8 3,-1.7 -10,-0.3 -2,-0.2 0.870 101.4 62.2 -56.8 -40.0 15.6 8.9 -42.6 73 73 A A T 3< S+ 0 0 1 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.638 98.6 57.9 -57.9 -21.2 19.1 7.4 -42.1 74 74 A Q T < S+ 0 0 81 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.586 90.2 91.5 -86.7 -15.2 19.2 6.5 -45.8 75 75 A L S < S- 0 0 44 -3,-1.7 5,-0.0 -4,-0.4 -3,-0.0 -0.502 86.8-100.3 -83.4 152.2 18.7 10.1 -46.9 76 76 A S > - 0 0 49 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.282 31.1-114.2 -63.9 153.8 21.5 12.5 -47.7 77 77 A E H > S+ 0 0 147 1,-0.2 4,-3.6 2,-0.2 5,-0.2 0.923 120.2 52.1 -58.1 -43.8 22.4 14.9 -45.0 78 78 A E H > S+ 0 0 119 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.902 109.0 51.0 -57.3 -41.7 21.3 17.8 -47.3 79 79 A Q H > S+ 0 0 93 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.862 115.9 39.8 -65.2 -41.3 17.9 15.9 -47.8 80 80 A V H X S+ 0 0 5 -4,-2.3 4,-1.8 2,-0.2 5,-0.2 0.926 113.0 55.9 -69.8 -47.7 17.4 15.6 -44.1 81 81 A T H X S+ 0 0 40 -4,-3.6 4,-0.8 -5,-0.2 -2,-0.2 0.878 113.3 41.7 -53.8 -41.5 18.7 19.1 -43.3 82 82 A K H >X S+ 0 0 85 -4,-2.2 3,-1.9 2,-0.2 4,-0.8 0.991 113.1 47.3 -70.7 -64.4 16.2 20.6 -45.7 83 83 A L H 3< S+ 0 0 52 -4,-1.7 4,-0.3 1,-0.3 -1,-0.2 0.692 114.8 51.6 -58.2 -15.3 13.1 18.7 -44.9 84 84 A L H 3< S+ 0 0 13 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.636 98.9 61.8 -92.5 -21.4 13.9 19.3 -41.2 85 85 A H H << S+ 0 0 131 -3,-1.9 -2,-0.2 -4,-0.8 -1,-0.2 0.676 106.9 54.9 -62.9 -18.2 14.3 23.0 -41.8 86 86 A R S < S+ 0 0 171 -4,-0.8 -2,-0.1 -3,-0.1 2,-0.1 0.877 103.2 35.4 -54.3 -85.7 10.6 22.9 -42.8 87 87 A K - 0 0 117 -4,-0.3 2,-0.2 1,-0.1 -1,-0.1 -0.264 69.5-117.6 120.6 84.7 8.8 21.6 -40.7 88 88 A G - 0 0 65 -2,-0.1 2,-0.5 -3,-0.0 -1,-0.1 -0.637 32.6-130.7 -88.9 156.0 8.3 21.2 -36.9 89 89 A L - 0 0 28 -2,-0.2 2,-0.2 9,-0.2 9,-0.0 -0.910 18.9-118.6-114.0 129.0 8.5 17.8 -35.3 90 90 A H - 0 0 117 -2,-0.5 2,-1.0 1,-0.1 3,-0.2 -0.463 18.5-137.9 -68.1 130.9 5.8 16.4 -33.0 91 91 A A + 0 0 60 -2,-0.2 -1,-0.1 1,-0.2 3,-0.1 -0.802 27.1 171.9 -89.9 101.9 6.9 15.6 -29.5 92 92 A Y S S- 0 0 94 -2,-1.0 2,-0.2 29,-0.5 32,-0.2 0.850 71.7 -5.0 -71.7 -40.3 5.3 12.2 -28.6 93 93 A T S > S- 0 0 21 28,-0.4 3,-0.6 -3,-0.2 -1,-0.1 -0.842 83.1 -89.4-141.4 177.7 7.3 12.0 -25.4 94 94 A H T 3 S+ 0 0 167 -2,-0.2 27,-0.1 1,-0.2 26,-0.0 0.674 125.7 54.2 -64.4 -17.2 10.1 13.8 -23.5 95 95 A A T 3 S+ 0 0 32 25,-0.5 -1,-0.2 2,-0.1 26,-0.2 0.630 76.0 119.9 -96.3 -15.7 12.5 11.5 -25.4 96 96 A T < - 0 0 10 -3,-0.6 2,-1.4 24,-0.3 3,-0.2 -0.277 70.0-124.6 -50.4 119.5 11.3 12.4 -28.9 97 97 A L + 0 0 38 -34,-0.3 -1,-0.1 1,-0.2 -2,-0.1 -0.597 50.7 152.0 -68.0 95.6 14.2 13.9 -30.9 98 98 A V + 0 0 59 -2,-1.4 -9,-0.2 -34,-0.0 -1,-0.2 0.568 45.0 92.1-101.9 -11.6 12.7 17.2 -31.9 99 99 A S S > S- 0 0 36 -3,-0.2 4,-3.1 1,-0.1 5,-0.2 -0.739 72.3-143.4 -84.2 122.4 16.0 19.1 -32.1 100 100 A P H > S+ 0 0 50 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.841 102.4 52.5 -53.1 -40.2 17.5 18.9 -35.7 101 101 A V H > S+ 0 0 109 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.936 112.3 43.6 -56.8 -53.0 21.0 18.7 -34.2 102 102 A H H > S+ 0 0 113 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.907 114.8 49.1 -66.9 -40.4 20.0 15.7 -32.0 103 103 A L H X S+ 0 0 0 -4,-3.1 4,-2.5 2,-0.2 5,-0.2 0.954 111.2 49.0 -65.1 -49.0 18.0 13.9 -34.7 104 104 A K H X S+ 0 0 62 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.879 110.0 52.9 -56.2 -41.4 20.8 14.3 -37.2 105 105 A E H X S+ 0 0 100 -4,-2.2 4,-2.3 2,-0.2 3,-0.3 0.957 109.3 48.4 -55.0 -55.3 23.3 12.9 -34.6 106 106 A D H X S+ 0 0 28 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.870 109.4 53.1 -57.5 -39.3 21.1 9.9 -34.0 107 107 A L H X S+ 0 0 3 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.859 107.5 51.3 -65.4 -36.1 20.8 9.3 -37.8 108 108 A A H X S+ 0 0 31 -4,-1.9 4,-2.4 -3,-0.3 -2,-0.2 0.948 111.0 47.4 -64.4 -47.1 24.6 9.3 -38.1 109 109 A Q H X S+ 0 0 72 -4,-2.3 4,-2.6 1,-0.2 6,-0.2 0.840 108.8 57.0 -61.5 -36.3 24.9 6.8 -35.3 110 110 A T H X>S+ 0 0 5 -4,-2.0 4,-1.6 2,-0.2 5,-0.5 0.923 107.2 47.1 -56.0 -51.3 22.2 4.8 -37.1 111 111 A R H <5S+ 0 0 110 -4,-2.2 -2,-0.2 1,-0.2 3,-0.2 0.951 114.7 47.9 -57.1 -47.4 24.3 4.6 -40.2 112 112 A K H <5S+ 0 0 164 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.906 117.0 38.8 -62.4 -46.2 27.3 3.6 -38.2 113 113 A R H <5S- 0 0 74 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.626 106.0-123.8 -83.5 -13.8 25.7 0.8 -36.1 114 114 A G T <5S+ 0 0 37 -4,-1.6 2,-0.3 -5,-0.2 -3,-0.2 0.438 80.1 65.2 91.5 -2.1 23.6 -0.5 -39.0 115 115 A Y S S- 0 0 28 3,-0.3 3,-1.8 471,-0.0 -1,-0.4 -0.996 80.9 -94.8-147.9 145.7 5.5 6.1 -26.8 124 124 A L T 3 S+ 0 0 76 -2,-0.3 3,-0.1 1,-0.2 573,-0.1 -0.371 110.4 14.6 -57.1 135.6 6.5 5.7 -23.2 125 125 A G T 3 S+ 0 0 2 1,-0.2 25,-2.0 572,-0.1 2,-0.4 0.381 102.3 113.2 83.5 1.8 7.7 2.2 -22.3 126 126 A L E < + E 0 149A 2 -3,-1.8 -6,-1.8 23,-0.2 2,-0.4 -0.902 39.6 179.9-112.9 128.6 8.1 1.2 -26.1 127 127 A R E -DE 119 148A 21 21,-2.9 21,-2.7 -2,-0.4 2,-0.3 -0.958 2.1-176.5-120.1 146.8 11.4 0.4 -27.8 128 128 A C E -DE 118 147A 8 -10,-1.7 -10,-2.5 -2,-0.4 2,-0.4 -0.993 12.4-161.5-139.7 152.7 12.0 -0.6 -31.4 129 129 A L E +DE 117 146A 0 17,-2.0 17,-2.6 -2,-0.3 2,-0.3 -0.993 23.1 173.8-126.0 135.1 15.0 -1.6 -33.5 130 130 A A E -DE 116 145A 0 -14,-1.6 -14,-2.7 -2,-0.4 2,-0.3 -0.965 19.9-169.5-144.2 160.0 14.9 -1.4 -37.3 131 131 A A E - 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