==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-MAR-12 4ECI . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR Y.PATSKOVSKY,R.TORO,R.BHOSLE,W.D.ZENCHECK,B.HILLERICH,R.D.SE . 408 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16940.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 311 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 5.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 23 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 183 44.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 3.9 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 4 0 2 0 0 0 0 4 2 4 0 0 2 0 0 0 0 1 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 PARALLEL BRIDGES PER LADDER . 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 V 0 0 82 0, 0.0 26,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 144.7 14.6 -51.8 -3.8 2 1 A M + 0 0 48 24,-0.7 57,-2.2 1,-0.1 58,-0.9 0.584 360.0 67.9 -98.8 -9.9 16.5 -50.1 -6.6 3 2 A I E -aB 27 58A 0 23,-0.8 25,-2.4 55,-0.2 2,-0.6 -0.923 60.6-160.1-119.7 129.9 15.5 -46.6 -5.5 4 3 A D E -aB 28 57A 12 53,-2.5 53,-1.8 -2,-0.5 2,-0.5 -0.917 16.3-158.4-101.9 127.1 16.5 -44.6 -2.5 5 4 A L E -aB 29 56A 0 23,-3.0 25,-3.2 -2,-0.6 2,-0.6 -0.924 8.4-164.2-110.0 123.7 14.1 -41.8 -1.8 6 5 A Y E +aB 30 55A 38 49,-3.1 49,-1.8 -2,-0.5 2,-0.3 -0.932 39.2 133.2-104.4 118.1 15.1 -38.7 0.3 7 6 A T E -a 31 0A 0 23,-1.9 25,-2.1 -2,-0.6 2,-0.3 -0.864 40.1-152.9-153.6 179.6 12.0 -36.9 1.3 8 7 A A - 0 0 13 -2,-0.3 2,-2.3 23,-0.2 5,-0.2 -0.939 50.1 -78.2-157.9 169.7 9.8 -35.2 3.8 9 8 A A S S+ 0 0 73 -2,-0.3 190,-0.0 4,-0.1 3,-0.0 -0.474 86.1 115.3 -80.0 73.6 6.1 -34.7 4.3 10 9 A T S > S- 0 0 52 -2,-2.3 4,-2.5 1,-0.1 3,-0.2 -0.901 80.5-103.9-131.7 163.6 5.7 -31.8 1.8 11 10 A P H > S+ 0 0 24 0, 0.0 4,-1.6 0, 0.0 154,-0.1 0.865 121.4 52.2 -56.9 -38.3 3.8 -31.5 -1.5 12 11 A N H > S+ 0 0 20 2,-0.2 4,-0.9 1,-0.2 -3,-0.1 0.890 110.4 47.0 -65.8 -41.7 7.0 -31.8 -3.5 13 12 A G H > S+ 0 0 0 1,-0.2 4,-2.1 -3,-0.2 3,-0.5 0.889 109.3 56.2 -63.1 -40.2 8.0 -35.0 -1.6 14 13 A H H X S+ 0 0 18 -4,-2.5 4,-3.0 1,-0.3 5,-0.3 0.848 96.2 63.3 -65.6 -32.1 4.5 -36.3 -2.2 15 14 A K H X S+ 0 0 2 -4,-1.6 4,-2.0 1,-0.2 -1,-0.3 0.926 109.8 41.0 -51.4 -47.7 4.7 -35.9 -5.9 16 15 A V H X S+ 0 0 0 -4,-0.9 4,-2.6 -3,-0.5 -2,-0.2 0.896 113.8 48.9 -78.4 -41.0 7.6 -38.5 -5.9 17 16 A S H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.913 112.3 50.6 -66.0 -40.5 6.2 -40.9 -3.4 18 17 A I H X S+ 0 0 1 -4,-3.0 4,-3.1 180,-0.2 5,-0.2 0.949 110.9 49.9 -54.6 -47.4 2.8 -40.9 -5.4 19 18 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.933 110.6 47.5 -58.7 -48.6 4.7 -41.5 -8.6 20 19 A L H X>S+ 0 0 0 -4,-2.6 5,-1.9 1,-0.2 4,-0.8 0.914 114.3 48.5 -59.1 -43.9 6.7 -44.5 -7.2 21 20 A E H ><5S+ 0 0 39 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.898 111.5 49.3 -62.9 -45.1 3.5 -45.9 -5.8 22 21 A E H 3<5S+ 0 0 31 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.877 114.1 45.7 -59.0 -39.7 1.7 -45.5 -9.1 23 22 A M H 3<5S- 0 0 10 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.557 106.8-123.9 -88.1 -5.7 4.5 -47.1 -11.0 24 23 A G T <<5 + 0 0 64 -4,-0.8 -3,-0.2 -3,-0.6 -4,-0.1 0.756 54.7 156.4 67.6 26.2 4.9 -50.1 -8.6 25 24 A L < - 0 0 23 -5,-1.9 -1,-0.2 -6,-0.2 2,-0.2 -0.707 42.3-126.5 -83.2 128.6 8.6 -49.3 -8.1 26 25 A P + 0 0 68 0, 0.0 -23,-0.8 0, 0.0 -24,-0.7 -0.524 38.3 172.8 -65.5 144.5 10.2 -50.6 -4.9 27 26 A Y E -a 3 0A 35 -26,-0.2 2,-0.4 -2,-0.2 -23,-0.2 -0.991 32.5-131.5-153.5 156.7 11.9 -47.9 -2.9 28 27 A R E -a 4 0A 137 -25,-2.4 -23,-3.0 -2,-0.3 2,-0.5 -0.915 28.8-135.5-106.8 131.0 13.6 -47.3 0.5 29 28 A V E -a 5 0A 61 -2,-0.4 2,-0.6 -25,-0.2 -23,-0.2 -0.755 17.5-172.6 -93.2 129.0 12.5 -44.1 2.4 30 29 A H E -a 6 0A 41 -25,-3.2 -23,-1.9 -2,-0.5 2,-0.9 -0.915 14.2-157.6-115.5 101.0 15.0 -41.8 4.0 31 30 A A E -a 7 0A 55 -2,-0.6 2,-0.3 -25,-0.2 -23,-0.2 -0.706 13.8-142.5 -81.6 104.9 13.0 -39.3 5.9 32 31 A L - 0 0 25 -25,-2.1 2,-0.9 -2,-0.9 3,-0.1 -0.517 4.8-138.6 -74.0 131.4 15.2 -36.3 6.3 33 32 A S > > - 0 0 29 -2,-0.3 5,-2.7 1,-0.2 3,-0.5 -0.777 19.0-177.4 -90.8 106.7 14.9 -34.5 9.7 34 33 A F G > 5S+ 0 0 89 -2,-0.9 3,-1.8 1,-0.2 -1,-0.2 0.802 83.7 67.0 -68.9 -28.2 15.0 -30.8 9.1 35 34 A D G 3 5S+ 0 0 154 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.810 107.3 40.7 -59.5 -30.4 14.9 -30.4 12.9 36 35 A K G < 5S- 0 0 158 -3,-0.5 -1,-0.3 0, 0.0 -2,-0.2 0.116 116.5-114.6-107.6 17.4 18.3 -31.9 12.9 37 36 A K T X 5 + 0 0 124 -3,-1.8 3,-2.0 1,-0.1 -3,-0.2 0.737 63.8 149.9 63.2 25.3 19.6 -30.1 9.8 38 37 A E G > < + 0 0 77 -5,-2.7 3,-1.4 1,-0.3 6,-0.3 0.801 63.6 66.7 -63.6 -28.3 19.9 -33.3 7.8 39 38 A Q G 3 S+ 0 0 22 -6,-0.3 -1,-0.3 1,-0.2 -5,-0.1 0.573 102.8 50.2 -66.5 -5.2 19.1 -31.4 4.6 40 39 A K G < S+ 0 0 115 -3,-2.0 -1,-0.2 4,-0.1 -2,-0.2 0.327 76.4 122.5-116.8 6.0 22.5 -29.7 5.2 41 40 A A S X> S- 0 0 28 -3,-1.4 4,-2.0 -4,-0.2 3,-1.0 -0.504 70.6-126.1 -60.5 132.1 24.7 -32.7 5.8 42 41 A P H 3> S+ 0 0 86 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.862 110.0 61.2 -47.5 -37.8 27.5 -32.7 3.3 43 42 A E H 34 S+ 0 0 111 1,-0.2 4,-0.3 2,-0.2 -2,-0.0 0.868 106.2 44.3 -61.2 -36.9 26.5 -36.3 2.3 44 43 A F H X> S+ 0 0 10 -3,-1.0 4,-3.1 -6,-0.3 3,-1.3 0.851 107.1 58.4 -75.5 -36.1 23.0 -35.1 1.2 45 44 A L H 3< S+ 0 0 65 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.798 96.4 63.9 -62.7 -25.7 24.3 -32.1 -0.7 46 45 A R T 3< S+ 0 0 187 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.767 111.9 37.2 -66.6 -20.7 26.4 -34.5 -2.7 47 46 A I T <4 S+ 0 0 27 -3,-1.3 -2,-0.2 -4,-0.3 -1,-0.2 0.865 137.3 14.7 -95.3 -47.6 23.0 -35.8 -3.9 48 47 A N >< - 0 0 3 -4,-3.1 3,-2.4 1,-0.1 -1,-0.3 -0.863 62.3-169.5-128.2 101.4 21.1 -32.5 -4.1 49 48 A P T 3 S+ 0 0 49 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.692 88.3 65.7 -65.2 -16.3 23.4 -29.5 -4.0 50 49 A N T 3 S- 0 0 8 2,-0.1 3,-0.1 -3,-0.1 -5,-0.1 0.613 102.3-136.1 -75.1 -15.1 20.2 -27.3 -3.6 51 50 A G < + 0 0 13 -3,-2.4 2,-0.3 1,-0.2 -6,-0.1 0.843 62.2 115.9 64.7 32.8 19.7 -29.0 -0.2 52 51 A R - 0 0 118 2,-0.1 -1,-0.2 -4,-0.1 16,-0.1 -0.878 58.5 -79.2-125.3 161.9 16.0 -29.6 -0.6 53 52 A I S S+ 0 0 11 -2,-0.3 -46,-0.2 -3,-0.1 16,-0.1 -0.750 83.4 50.3-101.5 159.0 13.8 -32.7 -0.9 54 53 A P + 0 0 3 0, 0.0 14,-0.8 0, 0.0 2,-0.3 0.569 60.5 144.7 -89.0 169.7 12.9 -34.8 -2.7 55 54 A A E -BC 6 67A 0 -49,-1.8 -49,-3.1 12,-0.2 2,-0.3 -0.962 24.9-156.5-152.7 156.2 15.8 -36.4 -4.4 56 55 A I E -BC 5 66A 0 10,-2.5 10,-2.4 -2,-0.3 2,-0.4 -0.894 10.1-151.1-127.7 161.9 16.4 -40.0 -5.5 57 56 A V E -BC 4 65A 15 -53,-1.8 -53,-2.5 -2,-0.3 2,-1.1 -0.993 15.9-145.1-129.8 127.5 19.4 -42.2 -6.2 58 57 A D E > > -BC 3 64A 0 6,-3.1 3,-1.7 -2,-0.4 6,-1.4 -0.788 15.8-177.1 -95.0 94.8 18.8 -45.0 -8.7 59 58 A R G > 5S+ 0 0 93 -57,-2.2 3,-0.7 -2,-1.1 4,-0.3 0.808 81.8 64.4 -61.9 -29.4 21.0 -47.8 -7.4 60 59 A D G 3 5S+ 0 0 111 -58,-0.9 -1,-0.3 1,-0.3 2,-0.1 0.657 104.5 48.7 -64.1 -16.0 19.9 -49.9 -10.5 61 60 A N G X 5S- 0 0 36 -3,-1.7 3,-0.6 -59,-0.2 -1,-0.3 -0.450 135.0 -73.7-128.6 55.4 21.8 -47.3 -12.6 62 61 A D T < 5S- 0 0 126 -3,-0.7 -3,-0.2 1,-0.2 -2,-0.1 0.834 88.3 -65.9 54.9 37.2 25.2 -46.8 -11.0 63 62 A D T 3 S- 0 0 23 -14,-0.8 4,-2.5 -2,-0.2 3,-0.4 0.739 74.5-121.8 73.9 113.1 14.1 -31.6 -8.6 69 68 A S H > S+ 0 0 6 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.884 112.2 50.5 -46.8 -49.7 10.7 -33.2 -8.2 70 69 A G H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.894 112.5 46.9 -61.0 -39.4 9.7 -32.5 -11.9 71 70 A A H > S+ 0 0 1 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.850 110.7 52.3 -70.4 -34.5 13.0 -34.0 -13.1 72 71 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.919 108.7 51.8 -66.9 -43.3 12.5 -37.1 -10.9 73 72 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.918 111.8 45.0 -57.1 -47.3 9.0 -37.5 -12.3 74 73 A I H X S+ 0 0 1 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.939 112.9 51.9 -62.8 -46.9 10.3 -37.4 -15.9 75 74 A Y H X S+ 0 0 8 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.934 113.7 43.0 -52.7 -51.2 13.2 -39.7 -15.0 76 75 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 6,-0.4 0.891 112.8 52.2 -67.7 -40.5 10.9 -42.3 -13.5 77 76 A A H X>S+ 0 0 1 -4,-2.5 4,-1.8 -5,-0.3 5,-0.6 0.912 112.8 44.8 -60.2 -41.3 8.3 -42.0 -16.2 78 77 A E H <5S+ 0 0 45 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.866 111.5 54.3 -72.4 -33.3 11.0 -42.6 -18.9 79 78 A K H <5S+ 0 0 73 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.914 122.2 26.8 -65.4 -43.3 12.5 -45.5 -16.9 80 79 A T H <5S- 0 0 41 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.579 96.7-128.3 -96.9 -14.4 9.2 -47.4 -16.6 81 80 A G T <5 + 0 0 64 -4,-1.8 2,-0.3 1,-0.3 3,-0.2 0.684 69.5 125.6 67.6 16.1 7.4 -46.1 -19.7 82 81 A Q < + 0 0 75 -5,-0.6 -1,-0.3 -6,-0.4 -2,-0.2 -0.782 58.6 13.7-103.1 152.3 4.4 -45.3 -17.5 83 82 A L S S+ 0 0 30 -2,-0.3 74,-2.3 72,-0.1 75,-0.3 0.645 111.7 67.7 66.8 20.1 2.5 -42.0 -17.0 84 83 A M S S- 0 0 18 -3,-0.2 7,-0.2 -7,-0.2 72,-0.1 -0.771 83.1-118.9-162.9 126.6 3.8 -40.2 -20.0 85 84 A P - 0 0 47 0, 0.0 9,-0.1 0, 0.0 -3,-0.1 -0.209 12.0-137.0 -65.8 154.4 3.1 -41.1 -23.7 86 85 A A S S+ 0 0 107 -5,-0.1 2,-0.0 4,-0.1 -5,-0.0 0.710 75.0 92.6 -81.3 -22.7 5.9 -42.0 -26.0 87 86 A D S > S- 0 0 84 1,-0.1 4,-2.5 4,-0.0 5,-0.3 -0.318 85.6-112.1 -81.1 162.5 4.7 -40.0 -29.0 88 87 A V H > S+ 0 0 87 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.902 111.9 40.0 -66.1 -47.0 5.9 -36.4 -29.6 89 88 A K H > S+ 0 0 60 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.933 116.8 49.0 -69.5 -44.3 2.7 -34.6 -29.0 90 89 A G H > S+ 0 0 1 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.875 113.0 47.1 -61.8 -40.0 1.6 -36.6 -26.1 91 90 A R H X S+ 0 0 32 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.920 112.4 50.0 -69.9 -42.2 4.9 -36.4 -24.3 92 91 A S H X S+ 0 0 8 -4,-2.1 4,-3.1 -5,-0.3 5,-0.2 0.912 105.8 55.7 -65.2 -41.4 5.1 -32.6 -24.9 93 92 A R H X S+ 0 0 80 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.923 110.2 47.5 -54.5 -41.1 1.6 -32.1 -23.5 94 93 A V H X S+ 0 0 1 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.936 113.6 46.1 -66.0 -43.3 2.7 -33.8 -20.3 95 94 A I H X S+ 0 0 2 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.867 109.0 56.2 -70.1 -33.3 5.9 -31.8 -20.1 96 95 A Q H X S+ 0 0 8 -4,-3.1 4,-2.1 2,-0.2 -1,-0.2 0.954 112.4 40.4 -63.7 -46.9 4.1 -28.5 -20.8 97 96 A W H X S+ 0 0 7 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.848 113.4 55.0 -72.8 -28.8 1.7 -29.0 -17.9 98 97 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.905 109.5 46.2 -66.9 -41.0 4.4 -30.3 -15.7 99 98 A M H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.4 0.841 107.2 59.1 -71.2 -35.4 6.4 -27.1 -16.3 100 99 A F H X>S+ 0 0 1 -4,-2.1 5,-1.6 1,-0.2 4,-1.2 0.905 111.6 41.8 -53.5 -44.3 3.2 -25.1 -15.7 101 100 A Q H <>S+ 0 0 1 -4,-1.9 5,-2.7 3,-0.2 -2,-0.2 0.911 115.9 47.3 -70.0 -43.6 3.2 -26.7 -12.2 102 101 A M H <5S+ 0 0 10 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.823 125.0 28.5 -72.8 -32.9 6.9 -26.4 -11.6 103 102 A G H <5S+ 0 0 15 -4,-2.8 -1,-0.2 -5,-0.1 -3,-0.2 0.621 136.5 21.5-100.6 -15.5 7.3 -22.8 -12.6 104 103 A G T X5S+ 0 0 7 -4,-1.2 4,-2.5 -5,-0.4 5,-0.4 0.764 121.8 34.3-117.2 -73.6 3.8 -21.6 -11.8 105 104 A V H > S+ 0 0 13 0, 0.0 4,-1.9 0, 0.0 -2,-0.2 0.953 119.9 43.0 -59.3 -50.3 6.3 -21.4 -6.7 108 107 A M H X S+ 0 0 13 -4,-2.5 4,-2.0 1,-0.2 26,-0.2 0.935 117.3 44.0 -68.8 -46.7 3.2 -19.2 -6.5 109 108 A Q H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.4 -1,-0.2 0.876 111.5 57.1 -63.1 -32.8 1.2 -21.3 -4.0 110 109 A G H X S+ 0 0 13 -4,-2.2 4,-1.8 -5,-0.4 -2,-0.2 0.886 106.9 47.7 -65.5 -36.4 4.4 -21.7 -2.0 111 110 A Q H X S+ 0 0 14 -4,-1.9 4,-2.4 2,-0.2 5,-0.3 0.860 106.9 56.6 -73.8 -34.7 4.8 -18.0 -1.7 112 111 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 18,-0.3 5,-0.3 0.939 107.6 50.4 -54.4 -45.3 1.2 -17.7 -0.6 113 112 A N H X>S+ 0 0 16 -4,-2.1 4,-2.5 1,-0.2 5,-0.8 0.921 109.1 51.2 -59.5 -42.8 2.0 -20.1 2.1 114 113 A V H X>S+ 0 0 21 -4,-1.8 5,-2.3 3,-0.2 4,-1.9 0.972 117.1 36.0 -61.6 -55.3 5.0 -18.1 3.2 115 114 A F H <5S+ 0 0 6 -4,-2.4 8,-0.3 1,-0.2 -1,-0.2 0.834 122.3 44.8 -72.3 -29.9 3.2 -14.8 3.5 116 115 A F H <5S+ 0 0 80 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.833 133.4 11.2 -79.1 -35.1 -0.1 -16.2 4.8 117 116 A R H <5S+ 0 0 106 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.742 131.9 23.8-115.2 -33.7 1.4 -18.6 7.4 118 117 A Y T <> - 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