==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-NOV-06 2NTO . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: OCHROBACTRUM ANTHROPI; . AUTHOR L.FEDERICI,D.BONIVENTO,A.DI MATTEO,N.ALLOCATI . 201 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10282.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 147 73.1 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 . 16 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 10 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 42.8 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 0 0 0 0 0 1 2 0 1 0 0 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 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 . 3 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 ANTIPARALLEL 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 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 46 0, 0.0 25,-2.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 148.6 47.9 24.5 58.8 2 2 A K E -aB 26 56A 43 54,-2.1 54,-2.9 23,-0.2 2,-0.6 -0.935 360.0-154.6-117.5 123.3 49.0 20.9 59.2 3 3 A L E -aB 27 55A 0 23,-2.6 25,-2.5 -2,-0.5 2,-0.5 -0.871 5.2-150.3-102.0 122.1 47.4 18.1 57.2 4 4 A Y E +aB 28 54A 16 50,-3.3 50,-1.1 -2,-0.6 2,-0.3 -0.818 36.5 156.9 -87.8 125.6 47.4 14.6 58.6 5 5 A Y E -a 29 0A 25 23,-2.3 25,-2.5 -2,-0.5 2,-0.4 -0.903 41.9-139.9-144.6 166.9 47.5 12.1 55.7 6 6 A K > - 0 0 94 -2,-0.3 3,-2.1 23,-0.2 5,-0.2 -0.991 51.2 -89.3-131.1 135.7 48.4 8.7 54.5 7 7 A V T 3 S- 0 0 71 -2,-0.4 3,-0.1 1,-0.3 188,-0.0 -0.156 106.1 -5.0 -49.6 122.4 50.1 8.3 51.0 8 8 A G T 3 S+ 0 0 22 1,-0.2 -1,-0.3 187,-0.1 187,-0.0 0.353 103.9 120.1 80.5 -5.3 47.5 8.0 48.2 9 9 A A S X S- 0 0 18 -3,-2.1 3,-2.3 1,-0.1 4,-0.2 -0.047 88.2 -75.9 -83.6-171.7 44.4 7.9 50.5 10 10 A C T > S+ 0 0 13 1,-0.3 3,-1.5 42,-0.2 150,-0.1 0.717 123.3 76.1 -68.3 -17.4 41.5 10.4 50.5 11 11 A S T 3> S+ 0 0 0 1,-0.2 4,-2.0 -5,-0.2 -1,-0.3 0.617 77.1 78.7 -59.5 -15.6 43.7 12.9 52.3 12 12 A L H <> S+ 0 0 6 -3,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.822 84.5 60.8 -65.0 -29.9 45.3 13.4 48.9 13 13 A A H <> S+ 0 0 0 -3,-1.5 4,-2.0 -4,-0.2 -1,-0.2 0.964 109.2 38.8 -65.6 -53.3 42.4 15.6 47.8 14 14 A P H > S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.858 112.6 59.1 -63.0 -33.2 42.9 18.3 50.6 15 15 A H H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.948 108.6 45.6 -56.1 -46.7 46.7 17.9 50.0 16 16 A I H X S+ 0 0 2 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.895 112.6 49.2 -62.3 -43.6 46.0 18.9 46.4 17 17 A I H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.897 108.3 53.2 -70.1 -39.5 43.8 21.8 47.4 18 18 A L H X S+ 0 0 0 -4,-3.1 4,-1.1 2,-0.2 5,-0.4 0.929 111.7 47.0 -54.5 -45.5 46.3 23.1 49.9 19 19 A S H < S+ 0 0 5 -4,-2.0 3,-0.4 1,-0.2 -2,-0.2 0.921 113.6 47.7 -64.7 -43.2 48.9 23.1 47.1 20 20 A E H < S+ 0 0 25 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.808 108.5 54.6 -65.8 -32.1 46.6 24.8 44.7 21 21 A A H < S- 0 0 21 -4,-2.2 57,-0.4 -5,-0.2 -1,-0.2 0.717 105.6-127.1 -76.4 -24.1 45.6 27.5 47.2 22 22 A G < + 0 0 58 -4,-1.1 -3,-0.1 -3,-0.4 -4,-0.1 0.352 52.6 161.3 75.7 -6.0 49.2 28.4 47.8 23 23 A L - 0 0 31 -5,-0.4 2,-0.5 -6,-0.2 -1,-0.3 -0.016 46.4-122.7 8.1 110.8 48.6 27.9 51.3 24 24 A P + 0 0 111 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.839 51.8 160.0 -67.6 129.4 51.7 27.5 53.4 25 25 A Y - 0 0 34 -2,-0.5 2,-0.3 -3,-0.1 -23,-0.2 -0.956 33.6-135.2-147.8 166.2 51.0 24.1 55.1 26 26 A E E -a 2 0A 111 -25,-2.8 -23,-2.6 -2,-0.3 2,-0.4 -0.810 17.2-135.4-119.4 169.0 52.7 21.2 56.8 27 27 A L E -a 3 0A 51 -2,-0.3 2,-0.4 -25,-0.2 -23,-0.2 -0.976 14.3-175.1-131.2 136.3 52.4 17.5 56.4 28 28 A E E -a 4 0A 56 -25,-2.5 -23,-2.3 -2,-0.4 2,-0.2 -0.935 18.1-146.0-133.4 107.2 52.1 14.7 59.0 29 29 A A E -a 5 0A 43 -2,-0.4 9,-0.5 -25,-0.2 2,-0.5 -0.531 16.9-147.8 -73.7 138.8 52.0 11.1 57.8 30 30 A V - 0 0 10 -25,-2.5 2,-1.2 -2,-0.2 7,-0.2 -0.926 15.1-135.2-112.7 128.8 49.9 8.8 59.9 31 31 A D B >> -D 36 0B 86 5,-2.7 5,-1.9 -2,-0.5 4,-1.0 -0.757 28.1-172.7 -73.6 98.3 50.4 5.1 60.5 32 32 A L T 45S+ 0 0 47 -2,-1.2 -1,-0.2 3,-0.2 5,-0.0 0.811 75.6 54.2 -71.2 -33.1 46.8 4.2 59.9 33 33 A K T 45S+ 0 0 202 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.974 121.8 28.0 -63.7 -56.9 47.1 0.5 61.0 34 34 A A T 45S- 0 0 52 2,-0.1 -2,-0.2 9,-0.0 -1,-0.2 0.537 105.4-128.3 -80.0 -8.3 48.6 1.3 64.5 35 35 A K T <5 + 0 0 53 -4,-1.0 8,-2.1 1,-0.2 9,-0.6 0.960 59.3 141.7 52.2 59.1 46.8 4.7 64.6 36 36 A K B < -DE 31 42B 106 -5,-1.9 -5,-2.7 6,-0.3 6,-0.2 -0.968 50.1-129.5-129.9 141.2 50.0 6.6 65.4 37 37 A T > - 0 0 17 4,-2.1 3,-1.8 -2,-0.4 -7,-0.1 -0.313 44.4 -94.4 -74.4 172.6 51.5 9.9 64.3 38 38 A A T 3 S+ 0 0 78 -9,-0.5 -1,-0.1 1,-0.3 -8,-0.1 0.804 126.2 57.1 -63.6 -33.1 55.1 10.0 63.1 39 39 A D T 3 S- 0 0 138 1,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.258 124.8-102.8 -81.7 12.4 56.5 10.8 66.5 40 40 A G S < S+ 0 0 48 -3,-1.8 -2,-0.2 1,-0.2 -1,-0.1 0.465 76.8 140.7 82.5 5.5 54.8 7.6 67.8 41 41 A G - 0 0 26 1,-0.1 -4,-2.1 -5,-0.1 2,-0.7 -0.191 63.7 -85.1 -78.3 170.7 51.9 9.5 69.4 42 42 A D B > -E 36 0B 95 -6,-0.2 3,-1.7 1,-0.2 4,-0.4 -0.678 29.7-160.8 -85.0 109.6 48.3 8.3 69.5 43 43 A Y G >> S+ 0 0 0 -8,-2.1 4,-2.6 -2,-0.7 3,-1.2 0.730 86.1 73.8 -59.5 -24.9 46.5 9.5 66.3 44 44 A F G 34 S+ 0 0 85 -9,-0.6 -1,-0.3 1,-0.3 6,-0.1 0.736 89.2 60.6 -62.0 -22.7 43.1 9.1 68.1 45 45 A A G <4 S+ 0 0 87 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.739 110.1 41.1 -72.9 -26.1 44.0 12.2 70.1 46 46 A V T <4 S+ 0 0 27 -3,-1.2 -2,-0.2 -4,-0.4 -1,-0.1 0.914 138.5 8.9 -83.3 -54.2 44.1 14.1 66.8 47 47 A N >< - 0 0 4 -4,-2.6 3,-2.8 1,-0.1 -1,-0.3 -0.902 63.2-163.1-128.6 101.6 41.1 12.4 65.2 48 48 A P T 3 S+ 0 0 82 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.737 94.3 63.2 -56.8 -22.0 39.0 10.2 67.6 49 49 A R T 3 S- 0 0 154 2,-0.1 3,-0.1 -3,-0.1 -5,-0.1 0.652 105.1-136.1 -70.8 -18.8 37.5 8.7 64.5 50 50 A G < + 0 0 1 -3,-2.8 2,-0.3 1,-0.3 -6,-0.1 0.650 60.2 120.4 75.9 18.6 41.0 7.5 63.6 51 51 A A - 0 0 45 2,-0.1 -1,-0.3 -8,-0.1 -2,-0.1 -0.730 56.3 -95.3-113.8 158.1 40.8 8.5 60.0 52 52 A V S S+ 0 0 12 -2,-0.3 -42,-0.2 -3,-0.1 -47,-0.1 -0.823 83.7 60.8-104.4 153.1 42.6 10.8 57.6 53 53 A P + 0 0 7 0, 0.0 12,-0.8 0, 0.0 2,-0.3 0.571 58.3 155.2 -78.4 161.0 42.3 13.5 56.6 54 54 A A E -BC 4 64A 0 -50,-1.1 -50,-3.3 10,-0.2 2,-0.5 -0.970 23.6-155.8-137.8 148.2 42.5 15.8 59.6 55 55 A L E -BC 3 63A 0 8,-2.9 8,-2.7 -2,-0.3 2,-0.8 -0.959 8.4-150.7-129.7 113.4 43.6 19.4 59.4 56 56 A E E -BC 2 62A 40 -54,-2.9 -54,-2.1 -2,-0.5 6,-0.3 -0.762 13.7-177.9 -78.8 110.6 45.1 21.4 62.3 57 57 A V E S- 0 0 28 4,-2.5 -1,-0.2 -2,-0.8 5,-0.1 0.882 72.8 -24.5 -75.3 -41.4 44.0 24.9 61.6 58 58 A K E > S- C 0 61A 130 3,-1.1 3,-2.8 -3,-0.1 -1,-0.4 -0.941 97.8 -56.0-159.5 164.6 45.9 26.1 64.6 59 59 A P T 3 S+ 0 0 113 0, 0.0 3,-0.0 0, 0.0 -3,-0.0 -0.230 127.8 15.0 -47.8 125.3 47.0 24.5 67.9 60 60 A G T 3 S+ 0 0 79 1,-0.1 2,-0.5 -3,-0.0 -4,-0.0 0.272 108.7 91.2 92.5 -11.5 43.9 23.1 69.6 61 61 A T E < +C 58 0A 56 -3,-2.8 -4,-2.5 2,-0.0 -3,-1.1 -0.913 46.5 167.2-124.3 103.5 41.6 23.3 66.5 62 62 A V E -C 56 0A 48 -2,-0.5 2,-0.4 -6,-0.3 -6,-0.2 -0.969 17.9-157.1-117.6 124.3 41.5 20.2 64.3 63 63 A I E -C 55 0A 50 -8,-2.7 -8,-2.9 -2,-0.5 2,-0.3 -0.885 10.3-169.1-101.1 135.3 38.9 19.8 61.6 64 64 A T E +C 54 0A 25 -2,-0.4 -10,-0.2 -10,-0.2 4,-0.2 -0.759 43.6 64.8-117.1 166.5 38.0 16.3 60.3 65 65 A Q S > S- 0 0 123 -12,-0.8 4,-2.5 -2,-0.3 3,-0.4 0.604 72.3-117.2 86.1 123.9 35.9 15.2 57.3 66 66 A N H > S+ 0 0 9 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.885 112.6 54.7 -57.3 -43.1 36.9 15.9 53.7 67 67 A A H > S+ 0 0 43 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.907 113.8 42.2 -58.6 -39.8 33.8 18.1 52.9 68 68 A A H > S+ 0 0 47 -3,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.906 117.5 45.7 -73.9 -42.4 34.7 20.4 55.9 69 69 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.900 111.8 50.7 -66.3 -45.4 38.4 20.4 55.3 70 70 A L H X S+ 0 0 0 -4,-3.1 4,-1.7 -5,-0.2 -1,-0.2 0.876 115.1 43.2 -65.4 -37.0 38.1 21.1 51.5 71 71 A Q H X S+ 0 0 18 -4,-1.5 4,-2.6 -5,-0.3 -1,-0.2 0.801 110.7 54.9 -79.7 -29.0 35.7 23.9 52.1 72 72 A Y H X S+ 0 0 64 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.952 111.0 46.0 -64.3 -48.1 37.7 25.4 55.0 73 73 A I H < S+ 0 0 0 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.929 115.4 47.1 -57.8 -45.9 40.8 25.5 52.7 74 74 A G H >< S+ 0 0 0 -4,-1.7 3,-1.7 1,-0.2 5,-0.3 0.914 108.6 52.7 -62.1 -47.3 38.8 27.0 49.9 75 75 A D H 3< S+ 0 0 53 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.678 112.9 46.2 -65.3 -21.4 37.1 29.7 52.1 76 76 A H T 3< S+ 0 0 114 -4,-1.3 -1,-0.3 -3,-0.4 2,-0.2 0.112 102.4 83.0-107.1 17.9 40.5 30.8 53.3 77 77 A S S < S- 0 0 6 -3,-1.7 -55,-0.1 2,-0.2 -56,-0.1 -0.553 81.4-125.7-103.3 177.3 42.1 30.8 49.8 78 78 A D S S+ 0 0 153 -57,-0.4 2,-0.9 -2,-0.2 3,-0.1 0.209 76.3 113.6-102.2 8.5 42.0 33.5 47.2 79 79 A V > - 0 0 49 -5,-0.3 3,-1.4 1,-0.2 4,-0.4 -0.746 53.6-161.4 -87.8 105.8 40.6 31.1 44.6 80 80 A A G > S+ 0 0 76 -2,-0.9 3,-1.5 1,-0.3 -1,-0.2 0.840 88.0 57.3 -57.8 -38.2 37.1 32.3 43.9 81 81 A A G 3 S+ 0 0 28 1,-0.3 -1,-0.3 2,-0.1 72,-0.1 0.785 103.0 56.6 -65.4 -25.4 36.0 28.9 42.4 82 82 A F G < S+ 0 0 3 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.558 113.8 39.5 -79.6 -11.3 36.9 27.2 45.7 83 83 A K S < S+ 0 0 78 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.1 -0.373 70.1 173.7-140.7 63.3 34.6 29.5 47.7 84 84 A P - 0 0 21 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.235 48.7 -87.3 -62.2 157.6 31.3 30.3 46.0 85 85 A A > - 0 0 70 1,-0.1 3,-3.1 2,-0.1 6,-0.6 -0.457 61.0 -77.5 -72.9 138.2 28.9 32.3 48.2 86 86 A Y T 3 S- 0 0 141 1,-0.3 3,-0.1 -2,-0.1 -1,-0.1 -0.426 109.7 -11.7 -64.3 143.0 26.7 30.2 50.5 87 87 A G T 3 S+ 0 0 65 1,-0.3 -1,-0.3 2,-0.1 2,-0.3 0.185 76.7 144.1 -86.3 93.9 24.4 29.1 48.6 88 88 A S S X> S- 0 0 39 -3,-3.1 3,-1.7 1,-0.0 4,-1.5 -0.576 79.5 -97.9 -44.4 141.9 24.4 30.6 45.5 89 89 A I H 3> S+ 0 0 113 -2,-0.3 4,-2.7 1,-0.3 5,-0.2 0.820 127.9 67.7 -50.0 -28.6 23.5 27.5 43.6 90 90 A E H 3> S+ 0 0 127 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.880 98.6 48.1 -58.7 -42.2 27.2 27.2 43.0 91 91 A R H <> S+ 0 0 4 -3,-1.7 4,-2.3 -6,-0.6 -1,-0.2 0.906 111.8 50.1 -63.9 -43.1 27.9 26.5 46.7 92 92 A A H X S+ 0 0 47 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.906 110.6 49.6 -61.9 -40.7 25.1 23.9 46.6 93 93 A R H X S+ 0 0 129 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.889 109.8 51.8 -67.2 -38.9 26.6 22.3 43.5 94 94 A L H X S+ 0 0 2 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.935 113.5 43.4 -58.8 -49.9 30.0 22.2 45.2 95 95 A Q H X S+ 0 0 84 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.800 110.6 55.8 -69.8 -31.7 28.6 20.5 48.2 96 96 A E H X S+ 0 0 98 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.932 109.3 46.2 -65.6 -46.4 26.5 18.1 46.1 97 97 A A H X S+ 0 0 1 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.893 113.9 48.6 -63.5 -40.5 29.6 16.9 44.3 98 98 A L H X S+ 0 0 4 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.900 110.5 51.6 -66.4 -42.0 31.5 16.5 47.5 99 99 A G H X S+ 0 0 37 -4,-2.5 4,-1.6 1,-0.2 3,-0.2 0.920 110.4 48.8 -56.6 -43.9 28.6 14.6 49.0 100 100 A F H X S+ 0 0 20 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.828 103.7 59.8 -69.9 -29.9 28.6 12.3 46.0 101 101 A C H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.876 103.1 53.2 -62.1 -34.8 32.4 11.9 46.4 102 102 A S H X S+ 0 0 56 -4,-1.6 4,-2.7 -3,-0.2 -2,-0.2 0.907 107.1 50.6 -67.5 -38.3 31.6 10.5 49.9 103 103 A D H X S+ 0 0 68 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.933 112.2 48.3 -60.0 -43.6 29.1 8.0 48.2 104 104 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.909 111.2 49.7 -60.8 -45.5 31.9 7.1 45.8 105 105 A H H X S+ 0 0 60 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.927 106.8 54.6 -59.6 -48.2 34.4 6.6 48.7 106 106 A A H X S+ 0 0 59 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.862 109.9 48.3 -55.7 -37.9 32.0 4.4 50.6 107 107 A A H >< S+ 0 0 4 -4,-1.6 3,-0.9 1,-0.2 4,-0.4 0.953 114.5 43.4 -68.0 -51.1 31.7 2.1 47.6 108 108 A F H >< S+ 0 0 0 -4,-2.3 3,-1.8 1,-0.2 4,-0.2 0.848 102.5 68.2 -62.7 -35.1 35.5 1.8 47.0 109 109 A S H >< S+ 0 0 53 -4,-2.8 3,-1.5 1,-0.3 -1,-0.2 0.746 86.5 67.4 -62.9 -25.1 36.3 1.4 50.7 110 110 A G G X< S+ 0 0 23 -3,-0.9 3,-1.1 -4,-0.6 -1,-0.3 0.796 90.6 66.1 -61.7 -27.7 34.6 -2.0 50.7 111 111 A L G < S+ 0 0 15 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.611 100.3 49.5 -65.3 -18.2 37.4 -3.2 48.5 112 112 A F G < S+ 0 0 107 -3,-1.5 -1,-0.2 -4,-0.2 -2,-0.2 0.286 77.6 122.5-112.9 6.4 39.9 -2.7 51.3 113 113 A A X - 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