==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 21-MAY-04 1TD5 . COMPND 2 MOLECULE: ACETATE OPERON REPRESSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.R.WALKER,L.EVDOKIMOVA,R.-G.ZHANG,A.BOCHKAREV,A.JOACHIMIAK, . 716 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32471.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 501 70.0 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 . 143 20.0 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 . 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 . 44 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 243 33.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.5 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 1 1 1 2 0 0 4 0 0 0 4 1 2 1 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 . 0 5 2 3 2 3 3 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 32 0, 0.0 2,-0.3 0, 0.0 134,-0.1 0.000 360.0 360.0 360.0 145.0 -11.8 0.6 -42.5 2 2 A H - 0 0 136 28,-0.1 2,-0.9 140,-0.0 140,-0.1 -0.726 360.0-115.5-111.9 164.5 -8.2 1.2 -41.5 3 3 A X - 0 0 35 -2,-0.3 2,-0.2 138,-0.1 27,-0.0 -0.810 31.4-168.1-103.1 98.1 -6.6 3.6 -39.0 4 4 A S > - 0 0 49 -2,-0.9 4,-2.0 1,-0.1 5,-0.1 -0.595 29.8-126.1 -83.5 147.2 -4.5 6.2 -40.8 5 5 A R H > S+ 0 0 178 -2,-0.2 4,-1.6 1,-0.2 -1,-0.1 0.821 112.9 58.6 -59.4 -29.2 -2.2 8.4 -38.7 6 6 A N H > S+ 0 0 109 2,-0.2 4,-1.5 1,-0.2 3,-0.3 0.962 103.4 49.1 -65.1 -51.5 -3.9 11.3 -40.4 7 7 A L H > S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 3,-0.3 0.902 106.6 58.2 -54.4 -41.9 -7.4 10.3 -39.1 8 8 A L H X S+ 0 0 18 -4,-2.0 4,-2.6 1,-0.3 -1,-0.2 0.905 103.9 50.9 -55.4 -44.3 -5.9 9.9 -35.6 9 9 A A H < S+ 0 0 46 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.845 110.7 49.6 -63.5 -32.0 -4.8 13.5 -35.6 10 10 A I H < S+ 0 0 92 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.922 118.3 38.2 -71.9 -42.2 -8.3 14.6 -36.6 11 11 A V H >X S+ 0 0 1 -4,-2.6 3,-2.9 1,-0.2 4,-1.1 0.685 87.9 92.8 -83.3 -21.6 -10.0 12.5 -33.9 12 12 A H H 3X S+ 0 0 62 -4,-2.6 4,-2.4 1,-0.3 3,-0.3 0.863 78.7 64.0 -41.7 -44.0 -7.5 13.1 -31.1 13 13 A P H 3> S+ 0 0 71 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.803 99.5 54.3 -52.8 -29.4 -9.7 16.1 -30.0 14 14 A I H <> S+ 0 0 24 -3,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.934 108.1 47.5 -71.3 -45.1 -12.4 13.6 -29.2 15 15 A L H X S+ 0 0 0 -4,-1.1 4,-1.8 -3,-0.3 -1,-0.2 0.893 111.4 50.8 -64.2 -39.4 -10.2 11.5 -26.9 16 16 A R H X S+ 0 0 128 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.940 110.8 49.8 -63.3 -43.5 -8.9 14.5 -25.1 17 17 A N H X S+ 0 0 86 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.866 109.1 49.6 -61.2 -41.9 -12.4 15.7 -24.5 18 18 A L H X S+ 0 0 8 -4,-2.0 4,-3.1 2,-0.2 5,-0.5 0.858 107.9 57.0 -67.4 -33.4 -13.6 12.4 -23.1 19 19 A X H X S+ 0 0 38 -4,-1.8 4,-3.2 2,-0.2 5,-0.5 0.979 108.6 43.8 -61.5 -56.4 -10.7 12.3 -20.8 20 20 A E H < S+ 0 0 110 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.916 117.2 47.8 -55.2 -44.6 -11.5 15.7 -19.2 21 21 A E H < S+ 0 0 130 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.943 121.6 31.5 -64.6 -51.4 -15.2 14.7 -19.0 22 22 A S H < S- 0 0 16 -4,-3.1 -2,-0.2 2,-0.2 -1,-0.2 0.851 96.3-136.2 -76.8 -33.3 -14.8 11.2 -17.5 23 23 A G < + 0 0 23 -4,-3.2 2,-0.3 -5,-0.5 25,-0.2 0.613 69.0 101.5 86.6 13.3 -11.6 12.1 -15.5 24 24 A E S S- 0 0 4 -5,-0.5 -1,-0.3 -6,-0.4 -2,-0.2 -0.821 83.2 -77.6-126.6 168.9 -10.0 8.8 -16.6 25 25 A T E -A 147 0A 0 122,-0.8 122,-2.3 -2,-0.3 2,-0.4 -0.408 44.4-152.7 -65.4 137.2 -7.6 7.5 -19.1 26 26 A V E -AB 146 44A 0 18,-2.8 18,-2.3 120,-0.2 2,-0.3 -0.899 11.3-170.4-113.3 139.8 -9.0 7.2 -22.6 27 27 A N E -AB 145 43A 5 118,-2.7 118,-2.7 -2,-0.4 2,-0.4 -0.924 15.9-154.5-128.4 156.4 -7.7 4.7 -25.2 28 28 A X E -AB 144 42A 0 14,-1.7 13,-3.0 -2,-0.3 14,-1.6 -0.995 21.8-175.7-126.6 126.3 -8.3 4.1 -29.0 29 29 A A E -AB 143 40A 2 114,-2.6 114,-1.7 -2,-0.4 2,-0.3 -0.979 15.0-140.4-129.8 143.3 -7.7 0.6 -30.1 30 30 A V E -AB 142 39A 27 9,-2.9 9,-2.5 -2,-0.4 2,-0.6 -0.723 18.2-121.5-104.3 150.1 -7.8 -0.9 -33.6 31 31 A L E - B 0 38A 23 110,-3.1 2,-1.2 -2,-0.3 7,-0.2 -0.814 13.6-151.7 -93.3 121.5 -9.2 -4.2 -34.6 32 32 A D E >> - B 0 37A 45 5,-2.4 4,-2.3 -2,-0.6 5,-0.9 -0.794 12.4-172.8 -92.1 96.9 -6.8 -6.6 -36.2 33 33 A Q T 45S+ 0 0 108 -2,-1.2 -1,-0.2 1,-0.2 -2,-0.0 0.608 79.0 53.7 -67.8 -11.2 -9.2 -8.6 -38.3 34 34 A S T 45S+ 0 0 108 3,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.899 124.6 20.7 -89.0 -44.6 -6.5 -11.0 -39.4 35 35 A D T 45S- 0 0 80 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.1 0.494 101.2-123.2 -99.8 -9.1 -5.2 -12.1 -36.0 36 36 A H T <5 + 0 0 51 -4,-2.3 2,-0.4 1,-0.2 26,-0.2 0.993 60.7 141.1 62.1 62.7 -8.3 -11.1 -33.9 37 37 A E E < -B 32 0A 41 -5,-0.9 -5,-2.4 24,-0.1 2,-0.8 -0.995 52.4-133.9-139.1 141.5 -6.5 -8.7 -31.5 38 38 A A E -BC 31 60A 0 22,-1.0 22,-1.9 -2,-0.4 2,-0.6 -0.853 29.3-168.6 -97.0 112.0 -7.3 -5.4 -30.0 39 39 A I E -BC 30 59A 37 -9,-2.5 -9,-2.9 -2,-0.8 2,-0.2 -0.882 19.2-132.0-109.6 122.7 -4.3 -3.1 -30.4 40 40 A I E +B 29 0A 2 18,-3.0 17,-2.2 -2,-0.6 -11,-0.3 -0.488 33.5 163.6 -68.5 129.4 -4.0 0.2 -28.6 41 41 A I E + 0 0 40 -13,-3.0 2,-0.3 1,-0.3 -12,-0.2 0.383 61.4 22.9-126.6 -5.8 -3.0 2.9 -31.0 42 42 A D E +B 28 0A 23 -14,-1.6 -14,-1.7 2,-0.0 -1,-0.3 -0.977 58.4 175.9-155.2 164.5 -3.8 6.0 -29.1 43 43 A Q E -B 27 0A 29 -2,-0.3 2,-0.5 -16,-0.2 -16,-0.2 -0.878 19.9-161.7-173.3 140.7 -4.3 7.3 -25.6 44 44 A V E -B 26 0A 11 -18,-2.3 -18,-2.8 -2,-0.3 2,-0.2 -0.976 28.5-147.8-127.5 110.7 -5.0 10.4 -23.5 45 45 A Q - 0 0 60 -2,-0.5 -20,-0.1 -20,-0.2 8,-0.1 -0.526 8.5-127.6 -81.8 146.3 -4.1 9.9 -19.9 46 46 A C - 0 0 8 6,-0.3 -22,-0.1 -2,-0.2 -1,-0.1 -0.226 23.7-115.2 -78.7-177.5 -5.9 11.5 -17.0 47 47 A T S S+ 0 0 124 -24,-0.1 -1,-0.1 3,-0.0 -23,-0.1 0.421 71.6 120.5-101.7 -3.4 -3.9 13.4 -14.3 48 48 A H - 0 0 70 -25,-0.2 544,-0.1 1,-0.1 -2,-0.1 -0.355 66.8-130.3 -61.4 144.6 -4.6 11.2 -11.3 49 49 A L S S+ 0 0 46 1,-0.2 543,-2.7 542,-0.1 2,-0.7 0.904 101.5 50.2 -64.1 -38.7 -1.5 9.7 -9.6 50 50 A X E S+F 591 0B 2 541,-0.3 2,-0.3 613,-0.1 541,-0.3 -0.878 84.8 122.2-105.9 112.7 -3.2 6.3 -9.7 51 51 A R E -F 590 0B 33 539,-2.5 539,-2.1 -2,-0.7 2,-0.4 -0.915 63.4 -79.6-155.8 176.5 -4.5 5.5 -13.1 52 52 A X E +F 589 0B 6 95,-0.5 -6,-0.3 -2,-0.3 537,-0.2 -0.715 42.6 173.3 -89.3 139.1 -4.5 3.2 -16.0 53 53 A S + 0 0 11 535,-2.9 -10,-0.0 -2,-0.4 -2,-0.0 -0.708 3.2 179.1-148.4 95.7 -1.6 3.5 -18.4 54 54 A A - 0 0 5 -2,-0.2 2,-0.2 1,-0.1 533,-0.0 -0.597 33.7-107.6 -94.5 157.2 -1.1 1.1 -21.2 55 55 A P > - 0 0 82 0, 0.0 3,-2.4 0, 0.0 -15,-0.2 -0.606 38.5-101.6 -82.9 142.5 1.8 1.3 -23.7 56 56 A I T 3 S+ 0 0 112 1,-0.3 -15,-0.2 -2,-0.2 3,-0.1 -0.430 115.1 30.7 -64.6 137.5 1.0 2.4 -27.2 57 57 A G T 3 S+ 0 0 46 -17,-2.2 -1,-0.3 1,-0.3 2,-0.1 0.439 91.1 146.8 92.4 0.0 1.0 -0.7 -29.3 58 58 A G < - 0 0 13 -3,-2.4 -18,-3.0 -19,-0.1 -1,-0.3 -0.450 43.0-131.3 -73.8 142.4 -0.2 -2.7 -26.3 59 59 A K E -C 39 0A 130 -20,-0.2 -20,-0.2 -2,-0.1 -1,-0.1 -0.656 14.0-152.8 -93.9 150.7 -2.5 -5.7 -26.9 60 60 A L E -C 38 0A 24 -22,-1.9 -22,-1.0 -2,-0.3 5,-0.1 -0.970 26.6-105.6-122.9 136.7 -5.8 -6.3 -25.0 61 61 A P - 0 0 15 0, 0.0 8,-0.3 0, 0.0 7,-0.3 -0.365 23.3-140.7 -61.0 133.8 -7.4 -9.7 -24.4 62 62 A X S S+ 0 0 15 6,-0.2 10,-0.4 -26,-0.2 3,-0.3 0.799 97.8 38.0 -66.1 -30.2 -10.5 -10.1 -26.6 63 63 A H S S+ 0 0 10 25,-0.3 34,-0.3 1,-0.2 -1,-0.2 0.667 121.1 39.9 -96.9 -19.7 -12.6 -11.8 -23.8 64 64 A A S S+ 0 0 0 32,-0.1 2,-0.3 54,-0.1 -1,-0.2 -0.135 101.3 73.4-124.9 41.3 -11.6 -9.9 -20.7 65 65 A S S > S- 0 0 2 -3,-0.3 4,-2.9 1,-0.2 5,-0.4 -0.994 77.2-114.6-150.3 155.5 -11.3 -6.2 -21.8 66 66 A G H > S+ 0 0 0 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.967 118.7 31.6 -49.1 -76.1 -13.4 -3.2 -22.7 67 67 A A H > S+ 0 0 2 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.887 119.0 56.6 -51.2 -46.2 -12.2 -3.0 -26.3 68 68 A G H >> S+ 0 0 0 -7,-0.3 4,-2.9 1,-0.2 3,-1.4 0.982 114.4 36.6 -49.6 -67.0 -11.8 -6.8 -26.6 69 69 A K H 3X S+ 0 0 0 -4,-2.9 4,-2.0 -8,-0.3 -1,-0.2 0.811 110.1 61.2 -59.5 -31.3 -15.4 -7.5 -25.6 70 70 A A H 3< S+ 0 0 3 -4,-2.8 -1,-0.3 -5,-0.4 62,-0.2 0.818 114.9 37.7 -64.6 -26.9 -16.8 -4.5 -27.4 71 71 A F H << S+ 0 0 3 -4,-1.7 4,-0.4 -3,-1.4 -2,-0.2 0.917 111.5 55.8 -83.5 -53.2 -15.3 -6.2 -30.5 72 72 A L H >< S+ 0 0 5 -4,-2.9 2,-1.8 -10,-0.4 3,-1.2 0.807 96.2 71.6 -49.4 -31.8 -16.1 -9.8 -29.6 73 73 A A T 3< S+ 0 0 0 -4,-2.0 -1,-0.3 -5,-0.3 3,-0.1 -0.327 92.9 55.2 -84.3 55.2 -19.7 -8.6 -29.2 74 74 A Q T 3 S+ 0 0 84 -2,-1.8 -1,-0.2 -3,-0.1 2,-0.2 0.314 90.2 85.5-153.8 -22.1 -20.0 -8.3 -33.0 75 75 A L S < S- 0 0 36 -3,-1.2 -1,-0.1 -4,-0.4 0, 0.0 -0.603 82.2-103.5 -93.1 150.6 -19.0 -11.8 -34.0 76 76 A S > - 0 0 48 -2,-0.2 4,-3.2 1,-0.1 5,-0.2 -0.122 34.1-106.4 -66.6 167.1 -21.3 -14.8 -34.3 77 77 A E H > S+ 0 0 144 1,-0.2 4,-2.5 2,-0.2 -1,-0.1 0.777 124.7 55.0 -65.6 -25.3 -21.2 -17.5 -31.7 78 78 A E H > S+ 0 0 100 2,-0.2 4,-1.5 3,-0.2 -1,-0.2 0.920 109.5 45.0 -71.4 -45.7 -19.5 -19.6 -34.3 79 79 A Q H >> S+ 0 0 83 2,-0.2 4,-2.1 1,-0.2 3,-0.6 0.959 114.6 49.1 -60.5 -51.4 -16.8 -17.0 -34.7 80 80 A V H 3X S+ 0 0 5 -4,-3.2 4,-1.2 1,-0.3 -2,-0.2 0.923 107.7 53.6 -52.9 -51.3 -16.5 -16.6 -31.0 81 81 A T H 3X S+ 0 0 32 -4,-2.5 4,-0.7 1,-0.2 -1,-0.3 0.790 106.3 56.0 -54.5 -31.7 -16.2 -20.4 -30.6 82 82 A K H XX S+ 0 0 28 -4,-1.5 4,-4.1 -3,-0.6 3,-1.6 0.977 107.5 45.6 -65.2 -55.2 -13.4 -20.2 -33.1 83 83 A L H 3X>S+ 0 0 11 -4,-2.1 4,-1.7 1,-0.3 5,-1.4 0.647 96.9 76.3 -63.2 -15.9 -11.5 -17.7 -30.9 84 84 A L H 3<>S+ 0 0 41 -4,-1.2 5,-0.6 -5,-0.2 -1,-0.3 0.880 120.2 12.4 -62.1 -37.2 -12.2 -19.9 -27.9 85 85 A H H <<5S+ 0 0 32 -3,-1.6 -2,-0.2 -4,-0.7 -1,-0.2 0.679 126.6 63.2-106.0 -32.1 -9.5 -22.2 -29.2 86 86 A R H <5S+ 0 0 106 -4,-4.1 -3,-0.2 -5,-0.2 -2,-0.2 0.961 129.1 2.8 -56.5 -56.0 -8.1 -19.8 -31.8 87 87 A K T <5S- 0 0 84 -4,-1.7 -3,-0.2 -5,-0.1 2,-0.1 0.863 102.9-113.5 -96.1 -78.9 -7.0 -17.3 -29.1 88 88 A G T < - 0 0 31 -5,-1.4 2,-1.3 2,-0.1 -25,-0.3 -0.232 4.6-122.0 138.8 128.9 -7.8 -18.5 -25.6 89 89 A L < - 0 0 35 -5,-0.6 -5,-0.1 9,-0.1 -4,-0.0 -0.460 45.0-174.8 -90.4 59.6 -10.1 -17.6 -22.7 90 90 A H - 0 0 104 -2,-1.3 2,-0.9 1,-0.1 -2,-0.1 -0.104 27.2-118.5 -54.7 152.9 -7.3 -17.1 -20.2 91 91 A A + 0 0 16 1,-0.2 -1,-0.1 7,-0.0 3,-0.1 -0.808 38.7 166.1-102.6 97.2 -8.2 -16.4 -16.6 92 92 A Y S S- 0 0 100 -2,-0.9 2,-0.3 29,-0.3 32,-0.2 0.887 70.4 -5.9 -74.7 -42.0 -6.8 -12.9 -15.7 93 93 A T S > S- 0 0 20 28,-0.4 3,-2.4 30,-0.1 -1,-0.2 -0.970 78.8 -93.2-149.3 165.1 -8.9 -12.7 -12.5 94 94 A H T 3 S+ 0 0 160 -2,-0.3 4,-0.1 1,-0.3 27,-0.1 0.678 125.8 52.7 -52.1 -19.7 -11.7 -14.5 -10.6 95 95 A A T 3 S+ 0 0 35 25,-0.5 -1,-0.3 2,-0.1 26,-0.2 0.628 79.3 118.4 -94.4 -14.6 -14.1 -12.2 -12.4 96 96 A T S < S- 0 0 7 -3,-2.4 2,-2.5 25,-0.2 3,-0.2 -0.250 76.5-118.1 -52.1 133.6 -12.8 -13.0 -15.9 97 97 A L + 0 0 30 -34,-0.3 -1,-0.2 1,-0.2 6,-0.1 -0.434 51.5 159.0 -75.4 72.5 -15.6 -14.6 -18.0 98 98 A V + 0 0 64 -2,-2.5 -1,-0.2 -4,-0.1 -9,-0.1 0.723 52.8 76.0 -67.7 -24.2 -13.6 -17.9 -18.4 99 99 A S S >> S- 0 0 42 -3,-0.2 4,-2.7 1,-0.1 3,-0.6 -0.833 75.4-144.1 -96.8 116.9 -16.8 -19.9 -19.2 100 100 A P H 3> S+ 0 0 42 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.689 98.7 62.2 -46.6 -27.5 -18.2 -19.4 -22.8 101 101 A V H 3> S+ 0 0 112 2,-0.2 4,-1.8 3,-0.2 5,-0.1 0.982 112.6 33.6 -64.8 -56.4 -21.7 -19.7 -21.4 102 102 A H H <> S+ 0 0 121 -3,-0.6 4,-2.7 2,-0.2 5,-0.2 0.943 120.9 51.9 -63.2 -49.2 -21.4 -16.6 -19.1 103 103 A L H X S+ 0 0 0 -4,-2.7 4,-3.7 2,-0.2 3,-0.3 0.966 110.8 44.3 -51.6 -63.8 -19.1 -14.9 -21.7 104 104 A K H X S+ 0 0 41 -4,-2.2 4,-2.4 1,-0.3 -1,-0.2 0.884 113.8 55.2 -49.4 -38.2 -21.4 -15.3 -24.7 105 105 A E H X S+ 0 0 117 -4,-1.8 4,-2.1 -5,-0.3 -1,-0.3 0.899 110.9 42.0 -62.0 -44.7 -24.1 -14.2 -22.2 106 106 A D H X S+ 0 0 27 -4,-2.7 4,-2.0 -3,-0.3 -2,-0.2 0.876 110.9 57.4 -70.6 -37.1 -22.3 -11.0 -21.3 107 107 A L H X S+ 0 0 5 -4,-3.7 4,-1.9 -5,-0.2 -2,-0.2 0.930 106.7 50.1 -58.0 -43.6 -21.4 -10.5 -25.0 108 108 A A H X S+ 0 0 37 -4,-2.4 4,-2.2 -5,-0.3 3,-0.3 0.971 108.7 49.7 -57.2 -57.2 -25.2 -10.6 -25.6 109 109 A Q H X S+ 0 0 75 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.786 105.9 61.3 -53.4 -30.1 -25.9 -8.0 -22.9 110 110 A T H X S+ 0 0 3 -4,-2.0 4,-3.2 2,-0.2 -1,-0.2 0.974 105.6 42.9 -63.8 -53.4 -23.2 -5.8 -24.4 111 111 A R H < S+ 0 0 123 -4,-1.9 -2,-0.2 -3,-0.3 -1,-0.2 0.958 116.1 49.6 -56.8 -49.8 -24.9 -5.5 -27.8 112 112 A K H < S+ 0 0 172 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.964 117.8 39.8 -48.7 -60.6 -28.2 -4.9 -26.0 113 113 A R H < S- 0 0 72 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.752 103.2-131.6 -60.5 -36.3 -26.7 -2.2 -23.8 114 114 A G S < S+ 0 0 41 -4,-3.2 2,-0.4 -5,-0.2 -1,-0.1 -0.148 78.1 64.2 108.1 -37.9 -24.5 -0.7 -26.4 115 115 A Y S S- 0 0 28 -6,-0.2 16,-0.2 16,-0.1 -2,-0.1 -0.911 77.1-123.1-124.1 147.0 -21.3 -0.5 -24.6 116 116 A S - 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