==== 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 4ECJ . 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) . 17037.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 314 77.0 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 . 25 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 12.5 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 84 0, 0.0 26,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 147.1 14.6 -52.0 -3.9 2 1 A M + 0 0 52 24,-1.1 57,-2.5 1,-0.1 58,-0.8 0.757 360.0 55.0 -93.1 -26.0 15.9 -50.2 -6.9 3 2 A I E -aB 27 58A 0 23,-1.4 25,-2.4 55,-0.2 2,-0.6 -0.927 60.6-154.3-120.1 128.4 15.4 -46.6 -5.8 4 3 A D E -aB 28 57A 15 53,-2.7 53,-1.8 -2,-0.5 2,-0.6 -0.895 20.4-158.7 -93.2 123.5 16.6 -44.7 -2.7 5 4 A L E -aB 29 56A 0 23,-2.8 25,-3.2 -2,-0.6 2,-0.6 -0.901 9.3-164.0-107.9 119.1 14.2 -41.8 -2.0 6 5 A Y E +aB 30 55A 40 49,-3.0 49,-1.6 -2,-0.6 2,-0.3 -0.888 39.2 131.7 -99.2 116.7 15.3 -38.8 0.1 7 6 A T E -a 31 0A 0 23,-2.1 25,-2.3 -2,-0.6 2,-0.3 -0.857 40.4-153.3-153.3-179.6 12.2 -37.0 1.1 8 7 A A - 0 0 10 -2,-0.3 2,-2.0 23,-0.2 5,-0.2 -0.931 50.8 -76.0-158.9 171.9 10.1 -35.3 3.8 9 8 A A S S+ 0 0 72 -2,-0.3 190,-0.0 4,-0.1 3,-0.0 -0.506 86.3 111.5 -83.7 78.7 6.4 -34.7 4.3 10 9 A T S > S- 0 0 38 -2,-2.0 4,-2.6 1,-0.1 5,-0.2 -0.879 81.2-100.1-138.4 167.0 5.9 -31.8 1.8 11 10 A P H > S+ 0 0 23 0, 0.0 4,-1.6 0, 0.0 154,-0.1 0.892 122.1 51.6 -60.0 -39.2 4.1 -31.4 -1.5 12 11 A N H > S+ 0 0 46 1,-0.2 4,-0.9 2,-0.2 -3,-0.1 0.904 111.2 46.7 -67.3 -38.4 7.3 -31.7 -3.4 13 12 A G H >> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 3,-0.7 0.914 108.4 56.9 -66.1 -41.4 8.2 -35.0 -1.7 14 13 A H H 3X S+ 0 0 18 -4,-2.6 4,-2.7 1,-0.3 5,-0.3 0.820 95.8 65.1 -62.7 -30.4 4.7 -36.3 -2.2 15 14 A K H 3X S+ 0 0 1 -4,-1.6 4,-2.1 1,-0.2 -1,-0.3 0.930 109.2 38.9 -51.5 -48.0 5.0 -35.9 -5.9 16 15 A V H S+ 0 0 0 -4,-2.7 5,-1.8 1,-0.2 4,-0.8 0.887 112.8 49.2 -62.8 -39.1 6.8 -44.4 -7.3 21 20 A E H <5S+ 0 0 43 -4,-2.2 3,-0.4 -5,-0.2 -1,-0.2 0.888 111.1 49.3 -66.2 -42.9 3.6 -45.9 -5.8 22 21 A E H <5S+ 0 0 33 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.872 113.9 46.7 -60.6 -38.7 1.7 -45.5 -9.2 23 22 A M H <5S- 0 0 11 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.567 105.9-124.6 -86.6 -9.5 4.5 -47.2 -11.1 24 23 A G T <5 + 0 0 64 -4,-0.8 -3,-0.2 -3,-0.4 -4,-0.1 0.771 53.8 156.1 70.7 27.6 5.0 -50.1 -8.7 25 24 A L < - 0 0 21 -5,-1.8 2,-0.2 -6,-0.2 -1,-0.2 -0.723 43.0-125.7 -86.7 131.9 8.7 -49.4 -8.2 26 25 A P + 0 0 65 0, 0.0 -23,-1.4 0, 0.0 -24,-1.1 -0.564 39.7 172.6 -70.2 139.8 10.3 -50.7 -5.0 27 26 A Y E -a 3 0A 38 -2,-0.2 2,-0.5 -26,-0.2 -23,-0.2 -0.983 32.2-132.3-149.1 158.0 12.0 -48.0 -3.0 28 27 A R E -a 4 0A 136 -25,-2.4 -23,-2.8 -2,-0.3 2,-0.5 -0.923 27.2-134.3-109.7 132.0 13.7 -47.3 0.3 29 28 A V E -a 5 0A 58 -2,-0.5 2,-0.6 -25,-0.2 -23,-0.2 -0.765 17.6-173.4 -91.5 127.0 12.7 -44.2 2.2 30 29 A H E -a 6 0A 42 -25,-3.2 -23,-2.1 -2,-0.5 2,-0.8 -0.919 15.1-158.7-111.1 100.6 15.3 -41.9 3.8 31 30 A A E -a 7 0A 56 -2,-0.6 2,-0.3 -25,-0.2 -23,-0.2 -0.707 8.5-148.2 -84.8 111.0 13.3 -39.4 5.8 32 31 A L - 0 0 27 -25,-2.3 2,-0.8 -2,-0.8 3,-0.1 -0.610 5.4-138.6 -81.7 137.0 15.4 -36.3 6.3 33 32 A S > > - 0 0 31 -2,-0.3 5,-2.4 1,-0.2 3,-0.6 -0.839 13.9-171.2 -96.7 110.5 14.9 -34.4 9.5 34 33 A F G > 5S+ 0 0 87 -2,-0.8 3,-2.1 1,-0.2 -1,-0.2 0.839 86.1 69.2 -65.6 -31.4 14.9 -30.6 8.8 35 34 A D G 3 5S+ 0 0 153 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.845 107.8 35.9 -52.1 -39.4 15.0 -30.2 12.6 36 35 A K G < 5S- 0 0 158 -3,-0.6 -1,-0.3 0, 0.0 -2,-0.2 0.155 115.0-118.2-101.6 16.3 18.5 -31.6 12.6 37 36 A K T X 5 + 0 0 148 -3,-2.1 3,-1.6 1,-0.1 4,-0.3 0.829 57.6 156.6 56.3 35.6 19.4 -29.9 9.3 38 37 A E G > < + 0 0 79 -5,-2.4 3,-0.8 1,-0.3 6,-0.3 0.751 65.6 63.7 -65.3 -21.8 20.0 -33.2 7.6 39 38 A Q G 3 S+ 0 0 28 1,-0.2 -1,-0.3 -6,-0.2 9,-0.1 0.561 101.3 50.4 -79.5 -9.6 19.3 -31.7 4.2 40 39 A K G < S+ 0 0 94 -3,-1.6 -1,-0.2 -6,-0.1 -2,-0.2 0.338 83.0 119.6-105.5 2.6 22.3 -29.4 4.6 41 40 A A S X> S- 0 0 23 -3,-0.8 4,-2.3 -4,-0.3 3,-0.7 -0.433 73.2-121.7 -68.9 143.1 24.7 -32.2 5.5 42 41 A P H 3> S+ 0 0 81 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.836 111.3 56.9 -56.3 -38.9 27.7 -32.7 3.1 43 42 A E H 34 S+ 0 0 119 1,-0.2 4,-0.3 2,-0.2 3,-0.1 0.878 110.8 43.6 -60.9 -38.5 26.7 -36.3 2.3 44 43 A F H X> S+ 0 0 9 -3,-0.7 4,-2.7 -6,-0.3 3,-1.8 0.884 106.2 60.2 -73.6 -37.8 23.3 -35.1 1.2 45 44 A L H 3< S+ 0 0 64 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.751 94.7 65.6 -59.9 -22.9 24.6 -32.2 -0.8 46 45 A R T 3< S+ 0 0 194 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.753 110.7 36.5 -67.1 -23.4 26.6 -34.8 -2.8 47 46 A I T <4 S+ 0 0 29 -3,-1.8 -2,-0.2 -4,-0.3 -1,-0.1 0.853 136.3 16.8 -95.1 -47.8 23.2 -36.0 -4.1 48 47 A N >< - 0 0 3 -4,-2.7 3,-2.1 1,-0.1 -1,-0.3 -0.894 63.1-167.0-127.5 103.1 21.4 -32.7 -4.3 49 48 A P T 3 S+ 0 0 48 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.707 89.2 63.8 -62.1 -19.8 23.7 -29.7 -4.3 50 49 A N T 3 S- 0 0 9 2,-0.1 3,-0.1 -3,-0.1 -5,-0.1 0.621 103.4-133.4 -76.1 -14.7 20.6 -27.5 -3.7 51 50 A G < + 0 0 2 -3,-2.1 2,-0.3 1,-0.2 -12,-0.1 0.908 63.5 114.2 64.3 42.7 20.1 -29.2 -0.3 52 51 A R - 0 0 121 -8,-0.1 -1,-0.2 2,-0.1 16,-0.1 -0.910 58.8 -78.3-134.2 163.9 16.3 -29.8 -0.7 53 52 A I S S+ 0 0 16 -2,-0.3 -46,-0.2 -3,-0.1 -40,-0.1 -0.795 84.4 52.8-105.8 158.7 14.0 -32.8 -1.1 54 53 A P + 0 0 3 0, 0.0 14,-0.9 0, 0.0 2,-0.3 0.551 61.4 145.0 -87.1 163.5 13.1 -34.8 -3.0 55 54 A A E -BC 6 67A 0 -49,-1.6 -49,-3.0 12,-0.2 2,-0.3 -0.961 24.8-157.8-146.5 154.1 16.1 -36.5 -4.5 56 55 A I E -BC 5 66A 0 10,-2.6 10,-2.6 -2,-0.3 2,-0.4 -0.922 11.8-152.0-127.9 159.9 16.6 -40.1 -5.7 57 56 A V E -BC 4 65A 15 -53,-1.8 -53,-2.7 -2,-0.3 2,-1.0 -0.998 18.5-144.3-125.3 124.6 19.5 -42.4 -6.3 58 57 A D E > > -BC 3 64A 0 6,-2.7 3,-1.6 -2,-0.4 6,-1.3 -0.798 13.9-173.4 -93.8 102.0 18.8 -45.1 -8.9 59 58 A R G > 5S+ 0 0 103 -57,-2.5 3,-0.7 -2,-1.0 4,-0.2 0.814 84.2 61.8 -62.6 -30.2 20.7 -48.2 -7.7 60 59 A D G 3 5S+ 0 0 103 -58,-0.8 -1,-0.3 1,-0.3 -57,-0.1 0.447 104.8 49.5 -76.6 -0.3 19.7 -50.0 -10.9 61 60 A N G X 5S- 0 0 35 -3,-1.6 3,-0.7 -59,-0.2 -1,-0.3 -0.373 132.0 -76.6-138.8 53.0 21.6 -47.4 -12.9 62 61 A D T < 5S- 0 0 127 -3,-0.7 -3,-0.2 1,-0.2 -2,-0.1 0.839 87.4 -62.9 56.1 39.1 25.1 -47.1 -11.2 63 62 A D T 3 S- 0 0 27 -14,-0.9 4,-2.4 -2,-0.3 3,-0.4 0.745 76.1-120.6 77.0 111.3 14.3 -31.6 -8.7 69 68 A S H > S+ 0 0 5 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.873 112.0 51.5 -46.8 -45.0 10.9 -33.3 -8.4 70 69 A G H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.908 111.1 46.9 -65.2 -40.1 10.0 -32.5 -12.0 71 70 A A H > S+ 0 0 1 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.856 111.1 52.9 -66.7 -36.2 13.2 -34.0 -13.3 72 71 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.916 108.1 51.0 -65.9 -43.7 12.7 -37.1 -11.1 73 72 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.925 111.6 46.0 -58.6 -47.2 9.2 -37.6 -12.5 74 73 A I H X S+ 0 0 2 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.930 112.9 51.6 -62.4 -43.6 10.4 -37.4 -16.1 75 74 A Y H X S+ 0 0 10 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.929 112.7 44.2 -56.8 -50.2 13.3 -39.8 -15.2 76 75 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 6,-0.4 0.888 112.9 51.3 -65.8 -40.8 10.9 -42.4 -13.6 77 76 A A H X>S+ 0 0 2 -4,-2.5 4,-2.1 -5,-0.2 5,-0.5 0.896 112.8 46.1 -63.4 -39.4 8.4 -42.1 -16.4 78 77 A E H <5S+ 0 0 63 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.866 112.0 51.9 -71.8 -34.2 11.1 -42.7 -19.0 79 78 A K H <5S+ 0 0 70 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.894 122.7 28.8 -64.7 -42.6 12.5 -45.6 -17.0 80 79 A T H <5S- 0 0 39 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.646 95.9-128.2 -97.6 -18.1 9.2 -47.4 -16.7 81 80 A G T <5S+ 0 0 64 -4,-2.1 2,-0.3 1,-0.3 3,-0.2 0.602 70.1 126.1 73.4 12.0 7.4 -46.2 -19.9 82 81 A Q < + 0 0 76 -5,-0.5 -1,-0.3 -6,-0.4 -2,-0.2 -0.755 58.6 10.3-103.4 149.6 4.5 -45.2 -17.6 83 82 A L S S+ 0 0 34 -2,-0.3 74,-2.4 72,-0.1 75,-0.3 0.652 110.3 71.7 66.4 20.3 2.5 -42.0 -17.1 84 83 A M S S- 0 0 20 -3,-0.2 7,-0.2 -7,-0.2 6,-0.1 -0.821 82.7-119.2-157.8 124.7 3.9 -40.1 -20.1 85 84 A P - 0 0 50 0, 0.0 9,-0.1 0, 0.0 -3,-0.1 -0.211 11.0-137.3 -63.2 157.4 3.0 -40.9 -23.7 86 85 A A S S+ 0 0 107 -5,-0.1 2,-0.0 4,-0.1 -5,-0.0 0.705 74.9 92.7 -82.6 -23.9 5.8 -41.9 -26.1 87 86 A D S > S- 0 0 91 1,-0.1 4,-2.9 4,-0.0 5,-0.3 -0.331 84.9-112.9 -78.6 159.7 4.5 -39.8 -29.1 88 87 A V H > S+ 0 0 91 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.921 112.4 37.1 -59.0 -53.7 5.8 -36.3 -29.7 89 88 A K H > S+ 0 0 52 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.910 117.9 50.5 -67.7 -43.9 2.7 -34.3 -29.0 90 89 A G H > S+ 0 0 5 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.916 113.0 46.3 -59.1 -47.3 1.6 -36.5 -26.1 91 90 A R H X S+ 0 0 30 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.925 112.8 50.6 -59.4 -45.6 5.0 -36.3 -24.5 92 91 A S H X S+ 0 0 7 -4,-2.2 4,-3.0 -5,-0.3 5,-0.2 0.907 104.5 56.4 -66.3 -39.0 5.1 -32.5 -25.0 93 92 A R H X S+ 0 0 91 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.918 109.3 47.8 -57.5 -40.2 1.7 -31.9 -23.5 94 93 A V H X S+ 0 0 0 -4,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.942 112.5 47.9 -64.1 -46.7 2.8 -33.6 -20.3 95 94 A I H X S+ 0 0 3 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.893 109.2 53.9 -64.9 -36.8 6.0 -31.6 -20.2 96 95 A Q H X S+ 0 0 9 -4,-3.0 4,-2.0 2,-0.2 -1,-0.2 0.949 113.2 41.4 -61.6 -50.3 4.2 -28.3 -20.8 97 96 A W H X S+ 0 0 9 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.839 113.3 54.9 -68.3 -29.5 1.8 -28.9 -17.9 98 97 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.922 109.8 46.0 -66.0 -43.3 4.7 -30.2 -15.7 99 98 A M H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.4 0.854 107.1 58.7 -68.1 -34.7 6.7 -27.0 -16.4 100 99 A F H X>S+ 0 0 0 -4,-2.0 5,-1.4 1,-0.2 4,-1.2 0.910 111.5 42.1 -59.1 -40.7 3.5 -25.0 -15.6 101 100 A Q H <>S+ 0 0 1 -4,-1.7 5,-2.8 3,-0.2 -2,-0.2 0.933 116.3 47.4 -68.6 -45.9 3.5 -26.6 -12.2 102 101 A M H <5S+ 0 0 10 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.837 124.4 29.7 -70.6 -33.6 7.2 -26.4 -11.6 103 102 A G H <5S+ 0 0 21 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.609 136.2 19.2 -99.9 -15.6 7.6 -22.7 -12.6 104 103 A G T X5S+ 0 0 11 -4,-1.2 4,-2.6 -5,-0.4 5,-0.4 0.746 121.3 36.0-120.7 -73.8 4.1 -21.5 -11.6 105 104 A V H > S+ 0 0 13 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.935 120.7 44.4 -60.5 -45.4 6.7 -21.5 -6.6 108 107 A M H X S+ 0 0 16 -4,-2.6 4,-2.0 2,-0.2 26,-0.2 0.942 116.3 44.0 -71.1 -44.5 3.7 -19.1 -6.4 109 108 A Q H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.4 -1,-0.2 0.874 111.4 57.0 -68.6 -31.1 1.7 -21.2 -4.0 110 109 A G H X S+ 0 0 13 -4,-2.3 4,-2.0 -5,-0.4 -1,-0.2 0.895 106.3 48.5 -61.5 -40.2 4.8 -21.7 -1.9 111 110 A Q H X S+ 0 0 14 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.865 106.9 56.3 -70.6 -35.9 5.3 -17.9 -1.6 112 111 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 18,-0.2 5,-0.3 0.933 107.5 49.6 -56.3 -45.1 1.7 -17.6 -0.5 113 112 A N H X>S+ 0 0 15 -4,-2.1 4,-2.2 2,-0.2 5,-0.8 0.917 110.0 51.9 -58.0 -46.2 2.5 -20.1 2.2 114 113 A V H X>S+ 0 0 23 -4,-2.0 5,-2.1 3,-0.2 4,-1.9 0.972 117.6 34.0 -57.5 -56.7 5.5 -18.0 3.2 115 114 A F H <5S+ 0 0 6 -4,-2.6 8,-0.3 1,-0.2 -1,-0.2 0.849 122.8 46.2 -73.6 -30.5 3.7 -14.7 3.6 116 115 A F H <5S+ 0 0 77 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.786 133.5 8.5 -77.8 -28.5 0.4 -16.1 4.9 117 116 A R H <5S+ 0 0 105 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.2 0.667 131.8 28.1-126.7 -30.7 1.9 -18.5 7.5 118 117 A Y T <> - 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0 0 77 -3,-1.7 4,-2.4 -4,-0.4 3,-0.3 -0.459 68.2-141.1 -67.6 127.8 28.7 -17.1 -28.3 399 192 B P H > S+ 0 0 79 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.891 102.2 53.0 -54.2 -43.9 27.4 -15.5 -31.6 400 193 B A H > S+ 0 0 5 1,-0.2 4,-3.0 2,-0.2 -173,-0.2 0.857 109.2 50.2 -59.8 -37.1 24.0 -17.3 -31.2 401 194 B V H > S+ 0 0 1 -3,-0.3 4,-2.1 -6,-0.2 -1,-0.2 0.935 110.1 49.1 -66.5 -47.0 23.6 -15.8 -27.8 402 195 B Q H < S+ 0 0 108 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.904 115.3 45.1 -57.9 -40.8 24.4 -12.3 -29.0 403 196 B R H >< S+ 0 0 112 -4,-2.4 3,-1.2 -5,-0.2 -2,-0.2 0.928 111.3 52.5 -70.3 -43.8 21.9 -12.7 -31.8 404 197 B G H >< S+ 0 0 0 -4,-3.0 3,-1.5 1,-0.2 -180,-0.2 0.832 100.3 60.8 -61.2 -35.1 19.2 -14.2 -29.5 405 198 B L T 3< S+ 0 0 33 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.666 98.0 60.7 -68.6 -16.0 19.4 -11.3 -27.0 406 199 B L T < S+ 0 0 97 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.422 81.5 129.3 -89.0 -0.8 18.4 -8.9 -29.7 407 200 B V < + 0 0 10 -3,-1.5 -193,-0.2 -4,-0.2 -184,-0.2 -0.911 63.9 29.5-110.5 123.9 15.0 -10.6 -30.3 408 201 B P 0 0 24 0, 0.0 -1,-0.1 0, 0.0 -194,-0.0 0.546 360.0 360.0 -83.6 158.4 12.5 -9.0 -30.4 409 202 B R 0 0 232 -2,-0.1 -194,-0.1 -195,-0.0 -2,-0.1 0.800 360.0 360.0 -95.6 360.0 13.9 -5.7 -31.6