==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-MAR-11 3R2Q . COMPND 2 MOLECULE: UNCHARACTERIZED GST-LIKE PROTEIN YIBF; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.E.LADNER,J.HARP,M.SCHAAB,N.V.STOURNAN,R.N.ARMSTRONG . 202 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11073.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 3.5 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 0.5 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 . 8 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 46.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 0 0 0 0 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 34 0, 0.0 26,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 142.9 -28.7 39.3 11.1 2 2 A K E -aB 27 53A 75 51,-2.2 51,-2.6 24,-0.2 2,-0.6 -0.952 360.0-156.7-116.8 137.7 -28.8 36.4 13.6 3 3 A L E -aB 28 52A 0 24,-2.6 26,-2.7 -2,-0.4 2,-0.6 -0.973 12.4-156.5-109.7 114.9 -29.0 32.7 12.8 4 4 A V E +aB 29 51A 0 47,-3.1 47,-1.6 -2,-0.6 2,-0.3 -0.835 40.5 118.2 -92.3 120.9 -30.4 30.8 15.7 5 5 A G E -a 30 0A 0 24,-2.5 26,-2.5 -2,-0.6 2,-0.3 -0.923 57.5-100.6-161.8-176.2 -29.3 27.2 15.5 6 6 A S - 0 0 13 -2,-0.3 26,-0.1 24,-0.2 6,-0.1 -0.823 32.4-119.7-117.4 164.7 -27.4 24.2 16.8 7 7 A Y S S+ 0 0 139 -2,-0.3 25,-0.1 1,-0.2 23,-0.0 0.607 110.5 43.1 -81.6 -10.2 -24.0 23.0 15.6 8 8 A T S S+ 0 0 43 191,-0.2 -1,-0.2 159,-0.0 159,-0.1 0.613 83.3 108.5-105.6 -22.4 -25.4 19.6 14.6 9 9 A S > - 0 0 17 1,-0.2 4,-2.2 2,-0.1 5,-0.1 -0.435 50.9-158.9 -68.0 129.9 -28.7 20.4 12.8 10 10 A P H > S+ 0 0 7 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.746 93.8 60.4 -76.9 -23.6 -28.6 20.0 9.0 11 11 A F H > S+ 0 0 27 2,-0.2 4,-0.8 1,-0.2 -2,-0.1 0.890 110.8 41.5 -64.6 -40.0 -31.6 22.4 8.6 12 12 A V H >> S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 3,-0.7 0.919 110.7 56.8 -67.2 -47.1 -29.4 25.0 10.2 13 13 A R H 3X S+ 0 0 26 -4,-2.2 4,-2.8 1,-0.3 5,-0.2 0.878 99.3 59.8 -57.7 -40.3 -26.3 24.0 8.3 14 14 A K H 3X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -1,-0.3 0.900 110.9 41.5 -52.3 -42.8 -28.2 24.5 5.0 15 15 A L H S+ 0 0 0 -4,-2.4 5,-2.4 2,-0.2 4,-0.5 0.910 114.1 49.0 -67.3 -44.0 -25.0 32.7 4.0 20 20 A L H ><5S+ 0 0 44 -4,-2.7 3,-1.2 -5,-0.2 -2,-0.2 0.922 109.3 52.2 -62.1 -45.3 -21.3 31.8 3.8 21 21 A E H 3<5S+ 0 0 36 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.870 112.7 45.4 -57.3 -40.0 -21.5 31.2 0.1 22 22 A K T 3<5S- 0 0 13 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.433 110.2-121.8 -85.1 -4.3 -23.0 34.7 -0.4 23 23 A G T < 5 + 0 0 62 -3,-1.2 2,-0.5 -4,-0.5 -3,-0.2 0.800 54.9 160.7 66.2 31.3 -20.5 36.4 1.9 24 24 A I < - 0 0 24 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.2 -0.734 38.0-129.0 -92.1 122.7 -23.3 37.6 4.1 25 25 A T + 0 0 133 -2,-0.5 2,-0.3 -5,-0.0 -1,-0.0 -0.586 40.6 156.3 -70.6 130.3 -22.2 38.6 7.7 26 26 A F - 0 0 50 -2,-0.3 2,-0.4 -23,-0.0 -24,-0.2 -0.979 38.1-125.4-151.4 159.4 -24.3 37.0 10.5 27 27 A E E -a 2 0A 104 -26,-2.2 -24,-2.6 -2,-0.3 2,-0.4 -0.922 24.3-137.0-105.5 135.1 -24.0 36.1 14.2 28 28 A F E -a 3 0A 48 -2,-0.4 2,-0.6 -26,-0.2 -24,-0.2 -0.792 10.7-161.3 -90.9 130.6 -24.7 32.6 15.2 29 29 A I E -a 4 0A 37 -26,-2.7 -24,-2.5 -2,-0.4 2,-0.3 -0.959 18.0-142.6-113.0 106.6 -26.8 32.1 18.4 30 30 A N E +a 5 0A 97 -2,-0.6 2,-0.3 -26,-0.2 -24,-0.2 -0.571 26.4 169.8 -80.4 134.7 -26.3 28.6 19.7 31 31 A E - 0 0 29 -26,-2.5 -24,-0.2 -2,-0.3 7,-0.1 -0.950 33.3-143.3-139.9 158.3 -29.3 26.7 21.1 32 32 A L > - 0 0 105 -2,-0.3 3,-1.8 1,-0.1 8,-0.1 -0.866 18.4-173.9-122.3 85.6 -30.1 23.1 22.3 33 33 A P T 3 S+ 0 0 32 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.709 79.0 55.4 -68.0 -17.0 -33.8 22.7 21.3 34 34 A Y T 3 S+ 0 0 123 3,-0.0 2,-0.2 14,-0.0 4,-0.1 0.521 85.9 94.2 -92.9 -3.7 -34.1 19.3 23.0 35 35 A N S < S- 0 0 88 -3,-1.8 -3,-0.0 1,-0.1 0, 0.0 -0.598 82.1-125.6 -75.5 156.6 -33.0 20.4 26.4 36 36 A A S S+ 0 0 106 -2,-0.2 2,-0.6 1,-0.1 -1,-0.1 0.882 103.0 47.7 -66.0 -40.2 -35.9 21.4 28.8 37 37 A D S S+ 0 0 156 2,-0.0 2,-0.3 -3,-0.0 -1,-0.1 -0.949 80.2 133.2-100.1 123.1 -34.3 24.9 29.4 38 38 A N - 0 0 61 -2,-0.6 3,-0.2 -7,-0.1 -7,-0.1 -0.894 56.8-124.1-152.0 175.6 -33.3 26.5 26.1 39 39 A G S S+ 0 0 20 -2,-0.3 3,-0.3 1,-0.1 4,-0.2 0.057 78.3 101.0-111.8 22.2 -33.7 29.9 24.5 40 40 A V >> + 0 0 0 1,-0.2 3,-2.2 2,-0.1 4,-1.8 0.855 67.2 68.8 -76.5 -34.9 -35.4 28.9 21.2 41 41 A A T 34 S+ 0 0 67 1,-0.3 -1,-0.2 2,-0.2 6,-0.1 0.786 88.8 63.6 -61.4 -25.1 -39.0 29.9 22.1 42 42 A Q T 34 S+ 0 0 146 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.693 115.8 33.4 -68.9 -17.3 -38.3 33.6 22.2 43 43 A F T <4 S+ 0 0 33 -3,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.674 134.5 15.3-103.9 -31.2 -37.5 33.3 18.5 44 44 A N >< - 0 0 3 -4,-1.8 3,-2.3 1,-0.1 -1,-0.3 -0.896 57.7-150.8-149.0 115.8 -40.0 30.6 17.4 45 45 A P T 3 S+ 0 0 110 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.764 97.8 67.5 -63.7 -21.2 -42.9 29.3 19.4 46 46 A L T 3 S- 0 0 118 2,-0.1 3,-0.1 -6,-0.1 -5,-0.1 0.609 104.8-130.9 -69.0 -14.0 -42.5 25.9 17.7 47 47 A G < + 0 0 24 -3,-2.3 2,-0.3 1,-0.2 -6,-0.1 0.781 62.8 127.1 70.6 26.3 -39.3 25.6 19.7 48 48 A K - 0 0 140 -8,-0.2 -1,-0.2 2,-0.1 -2,-0.1 -0.896 50.8-104.4-118.5 149.8 -37.3 24.6 16.6 49 49 A V S S+ 0 0 16 -2,-0.3 -37,-0.2 -3,-0.1 -44,-0.1 -0.848 78.9 62.3-107.2 151.7 -34.2 25.8 14.9 50 50 A P + 0 0 5 0, 0.0 2,-0.3 0, 0.0 12,-0.3 0.382 57.4 162.5 -81.4 161.2 -33.2 27.3 12.6 51 51 A V E -B 4 0A 0 -47,-1.6 -47,-3.1 -2,-0.1 2,-0.5 -0.990 24.3-150.8-133.1 140.5 -34.6 30.8 13.1 52 52 A L E -BC 3 60A 0 8,-2.2 8,-3.0 -2,-0.3 2,-0.5 -0.962 8.6-161.4-110.4 130.8 -33.3 33.9 11.3 53 53 A V E -BC 2 59A 16 -51,-2.6 -51,-2.2 -2,-0.5 6,-0.2 -0.943 11.6-145.2-113.0 122.1 -33.7 37.2 13.1 54 54 A T > - 0 0 10 4,-2.6 3,-1.5 -2,-0.5 0, 0.0 -0.249 33.7 -97.4 -78.7 175.6 -33.4 40.4 11.0 55 55 A E T 3 S+ 0 0 170 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.449 125.7 54.0 -75.6 5.4 -31.9 43.6 12.2 56 56 A E T 3 S- 0 0 165 2,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.265 122.2-100.7-106.4 -1.3 -35.5 44.9 13.0 57 57 A G S < S+ 0 0 51 -3,-1.5 2,-0.3 1,-0.3 -2,-0.1 0.371 71.9 144.5 94.0 0.6 -36.5 41.8 15.3 58 58 A E - 0 0 111 1,-0.0 -4,-2.6 -5,-0.0 2,-0.5 -0.523 39.5-146.1 -73.7 133.4 -38.5 39.8 12.8 59 59 A C E -C 53 0A 40 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.902 11.6-161.7-107.9 123.3 -38.1 36.1 13.2 60 60 A W E -C 52 0A 67 -8,-3.0 -8,-2.2 -2,-0.5 2,-0.3 -0.852 16.4-163.9-107.8 137.9 -38.2 33.9 10.2 61 61 A F + 0 0 71 -2,-0.4 2,-0.1 -10,-0.2 -10,-0.1 -0.935 41.6 41.3-162.2 167.3 -38.8 30.1 10.2 62 62 A D S >> S- 0 0 93 -2,-0.3 4,-2.3 -12,-0.3 3,-0.6 0.634 75.9-106.5 -80.1-169.0 -38.9 27.3 9.1 63 63 A S H 3> S+ 0 0 4 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.841 115.6 50.4 -57.1 -41.2 -35.7 26.5 7.1 64 64 A P H 3> S+ 0 0 36 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.899 112.4 49.5 -63.3 -36.5 -37.2 26.6 3.5 65 65 A I H <> S+ 0 0 69 -3,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.920 110.6 49.6 -65.2 -44.0 -38.8 30.0 4.3 66 66 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.916 109.2 51.7 -61.1 -42.4 -35.5 31.3 5.6 67 67 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.913 110.2 49.6 -61.7 -41.3 -33.6 30.1 2.5 68 68 A E H X S+ 0 0 90 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.871 108.9 52.5 -63.3 -38.9 -36.2 31.9 0.4 69 69 A Y H X S+ 0 0 65 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.942 110.0 48.2 -60.5 -49.3 -35.8 35.1 2.5 70 70 A I H >< S+ 0 0 0 -4,-2.6 3,-1.0 1,-0.2 5,-0.4 0.925 109.8 52.7 -58.7 -44.8 -32.0 35.0 1.9 71 71 A E H >< S+ 0 0 25 -4,-2.3 3,-1.9 1,-0.3 -1,-0.2 0.852 102.5 58.9 -59.9 -36.4 -32.5 34.4 -1.8 72 72 A L H 3< S+ 0 0 145 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.750 86.6 75.1 -64.9 -27.0 -34.8 37.5 -2.0 73 73 A M T << S- 0 0 73 -4,-1.0 -1,-0.3 -3,-1.0 -2,-0.2 0.728 98.7-139.2 -60.1 -23.9 -31.9 39.6 -0.7 74 74 A N < + 0 0 146 -3,-1.9 2,-0.4 -4,-0.3 -2,-0.1 0.835 46.4 149.0 67.9 47.0 -30.5 39.2 -4.4 75 75 A V - 0 0 53 -5,-0.4 -1,-0.2 2,-0.1 -2,-0.1 -0.907 47.5 -71.3-110.7 129.2 -26.7 38.6 -3.4 76 76 A A S S+ 0 0 83 -2,-0.4 2,-0.1 1,-0.1 3,-0.0 -0.338 107.0 49.2 -67.2 148.9 -24.4 36.4 -5.6 77 77 A P S S- 0 0 49 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 0.464 80.7-142.9 -82.8 145.0 -24.2 33.5 -6.0 78 78 A A - 0 0 73 1,-0.1 -2,-0.1 -4,-0.1 4,-0.0 -0.504 14.2-171.1 -65.1 136.6 -27.9 32.9 -6.8 79 79 A M S S+ 0 0 3 -2,-0.2 74,-2.7 73,-0.1 75,-0.3 0.355 70.3 49.9-113.3 -0.5 -29.0 29.6 -5.4 80 80 A L S S- 0 0 20 72,-0.2 7,-0.1 73,-0.1 -1,-0.1 -0.989 86.9-114.7-132.4 146.3 -32.5 29.5 -7.0 81 81 A P - 0 0 55 0, 0.0 -2,-0.1 0, 0.0 6,-0.0 -0.289 24.9-124.3 -69.9 160.0 -33.3 30.2 -10.7 82 82 A R S S+ 0 0 240 4,-0.1 3,-0.0 5,-0.1 5,-0.0 0.834 83.6 95.1 -78.0 -31.7 -35.4 33.3 -11.5 83 83 A D S > S- 0 0 86 1,-0.1 4,-2.7 2,-0.1 5,-0.2 -0.476 75.6-135.9 -64.7 129.3 -38.2 31.5 -13.3 84 84 A P H > S+ 0 0 104 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.867 99.7 44.0 -56.2 -45.3 -41.0 30.8 -10.9 85 85 A L H > S+ 0 0 90 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.928 115.4 47.0 -69.6 -42.2 -41.8 27.3 -11.9 86 86 A E H > S+ 0 0 83 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.896 111.3 53.2 -67.6 -34.3 -38.1 26.2 -12.1 87 87 A S H X S+ 0 0 14 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.940 109.1 49.2 -60.2 -45.6 -37.5 27.8 -8.7 88 88 A L H X S+ 0 0 96 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.889 107.7 54.1 -61.7 -38.1 -40.4 25.8 -7.3 89 89 A R H X S+ 0 0 132 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.918 108.0 49.9 -63.0 -42.7 -39.0 22.6 -8.8 90 90 A V H X S+ 0 0 17 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.926 111.1 50.0 -58.1 -41.4 -35.6 23.3 -7.1 91 91 A R H X S+ 0 0 56 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.764 103.2 58.6 -76.9 -18.7 -37.5 23.8 -3.9 92 92 A K H X S+ 0 0 121 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.909 108.5 46.9 -64.6 -43.9 -39.5 20.5 -4.3 93 93 A I H X S+ 0 0 12 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.910 109.3 53.7 -66.1 -38.5 -36.1 18.8 -4.4 94 94 A E H X S+ 0 0 1 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.914 106.4 53.0 -57.4 -42.8 -35.1 20.8 -1.3 95 95 A A H X S+ 0 0 58 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.880 107.3 51.7 -61.6 -37.8 -38.3 19.5 0.3 96 96 A L H X S+ 0 0 36 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.947 112.1 45.5 -60.8 -49.7 -37.1 15.9 -0.5 97 97 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.914 111.2 52.4 -61.1 -42.1 -33.7 16.6 1.1 98 98 A D H X S+ 0 0 14 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.859 106.5 54.9 -61.0 -35.5 -35.4 18.2 4.1 99 99 A G H X S+ 0 0 28 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.833 104.3 52.9 -66.7 -33.7 -37.5 15.1 4.4 100 100 A I H X S+ 0 0 2 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.922 110.1 48.5 -62.4 -45.7 -34.4 12.9 4.5 101 101 A M H X S+ 0 0 1 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.935 109.7 53.0 -56.3 -46.5 -33.2 15.1 7.3 102 102 A D H X S+ 0 0 86 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.921 110.7 46.1 -55.0 -46.5 -36.6 14.7 9.0 103 103 A A H X S+ 0 0 2 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.877 112.5 50.5 -68.6 -37.9 -36.4 10.9 8.8 104 104 A G H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.931 111.9 48.0 -60.6 -45.5 -32.8 10.9 10.1 105 105 A L H X S+ 0 0 41 -4,-2.9 4,-3.1 1,-0.2 5,-0.3 0.923 109.0 52.1 -64.7 -44.3 -33.8 13.1 13.0 106 106 A V H X S+ 0 0 53 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.916 110.6 50.7 -55.7 -43.7 -36.8 11.0 13.9 107 107 A S H X S+ 0 0 5 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.929 112.0 45.4 -59.8 -47.4 -34.4 8.0 13.9 108 108 A V H X S+ 0 0 22 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.918 113.6 49.1 -64.9 -43.6 -31.9 9.7 16.2 109 109 A R H >X S+ 0 0 97 -4,-3.1 4,-0.6 2,-0.2 3,-0.6 0.886 108.6 54.4 -66.1 -34.4 -34.7 11.0 18.6 110 110 A E H >< S+ 0 0 22 -4,-2.4 3,-1.2 -5,-0.3 -1,-0.2 0.933 107.8 49.5 -59.7 -47.0 -36.2 7.5 18.7 111 111 A Q H 3< S+ 0 0 108 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.667 104.0 61.0 -71.0 -15.0 -32.8 6.1 19.7 112 112 A A H << S+ 0 0 59 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.560 86.2 93.2 -82.8 -17.0 -32.6 8.8 22.5 113 113 A R S << S- 0 0 121 -3,-1.2 5,-0.1 -4,-0.6 -3,-0.0 -0.422 98.3 -79.8 -71.9 155.5 -35.7 7.5 24.2 114 114 A P >> - 0 0 78 0, 0.0 3,-2.2 0, 0.0 4,-0.6 -0.208 47.8-109.6 -53.4 149.1 -35.3 5.0 27.1 115 115 A A G >4 S+ 0 0 84 1,-0.3 3,-1.5 2,-0.2 -2,-0.1 0.896 117.5 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