==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-DEC-09 3L30 . COMPND 2 MOLECULE: PHOSPHOLIPASE A2, MAJOR ISOENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR C.NAVEEN,G.K.PRASANTH,J.ABHILASH,M.PRADEEP,K.PONNURAJ,C.SADA . 124 1 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7381.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 81 65.3 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 . 9 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 7 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 37.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 1 0 0 0 0 0 1 0 0 0 0 0 1 0 1 0 0 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 . 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A >> 0 0 6 0, 0.0 4,-1.5 0, 0.0 3,-1.1 0.000 360.0 360.0 360.0 158.1 -34.1 7.7 22.4 2 2 A L H 3> + 0 0 74 67,-2.3 4,-2.2 1,-0.3 3,-0.5 0.881 360.0 53.7 -50.0 -51.2 -33.2 11.3 22.4 3 3 A W H 3> S+ 0 0 139 1,-0.2 4,-1.5 66,-0.2 -1,-0.3 0.824 108.0 52.2 -55.3 -32.0 -29.8 10.9 24.0 4 4 A Q H <> S+ 0 0 10 -3,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.802 104.8 55.3 -78.4 -27.3 -28.8 8.4 21.4 5 5 A F H X S+ 0 0 13 -4,-1.5 4,-2.0 -3,-0.5 5,-0.2 0.940 108.1 48.6 -66.1 -45.1 -29.8 10.8 18.6 6 6 A R H X S+ 0 0 106 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.904 112.0 49.6 -57.0 -40.6 -27.5 13.4 20.1 7 7 A S H X S+ 0 0 42 -4,-1.5 4,-1.6 -5,-0.2 -1,-0.2 0.850 107.2 54.0 -73.8 -30.4 -24.8 10.9 20.2 8 8 A M H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.862 107.3 51.6 -62.1 -38.8 -25.4 9.8 16.6 9 9 A I H X S+ 0 0 6 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.885 108.2 51.3 -66.2 -38.6 -25.0 13.5 15.5 10 10 A K H < S+ 0 0 103 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.828 109.2 51.7 -75.5 -30.2 -21.7 13.6 17.3 11 11 A a H < S+ 0 0 12 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.936 114.8 41.2 -63.6 -46.3 -20.7 10.4 15.5 12 12 A A H < S+ 0 0 15 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.763 129.9 28.1 -77.4 -26.8 -21.5 11.9 12.0 13 13 A I >< - 0 0 43 -4,-2.1 3,-1.4 -5,-0.2 -1,-0.3 -0.771 69.8-175.6-136.0 83.3 -20.0 15.3 12.9 14 14 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.742 80.2 61.0 -58.2 -24.1 -17.3 14.8 15.4 15 15 A G T 3 S+ 0 0 80 2,-0.0 2,-0.3 0, 0.0 -5,-0.1 0.190 90.8 108.9 -84.3 20.5 -16.6 18.5 15.8 16 16 A S < - 0 0 8 -3,-1.4 3,-0.1 -6,-0.2 -3,-0.1 -0.688 58.8-154.7-114.8 145.6 -20.2 19.3 17.0 17 17 A H > - 0 0 106 -2,-0.3 4,-3.9 1,-0.2 5,-0.3 -0.833 24.8-163.6-106.5 94.5 -22.3 20.3 20.1 18 18 A P H >>S+ 0 0 18 0, 0.0 4,-2.8 0, 0.0 5,-0.8 0.817 86.1 40.9 -51.0 -49.0 -25.7 18.8 19.0 19 19 A L H >5S+ 0 0 92 1,-0.2 4,-0.8 3,-0.2 -2,-0.0 0.905 121.3 43.3 -67.4 -42.4 -27.8 20.7 21.5 20 20 A M H 45S+ 0 0 129 -3,-0.2 -1,-0.2 2,-0.1 -4,-0.0 0.904 124.2 36.2 -65.1 -40.1 -25.9 24.0 20.9 21 21 A D H <5S+ 0 0 36 -4,-3.9 -2,-0.2 1,-0.1 -1,-0.1 0.936 129.2 21.7 -83.2 -47.4 -25.7 23.5 17.1 22 22 A F H ><5S+ 0 0 19 -4,-2.8 3,-0.7 -5,-0.3 2,-0.4 0.532 92.3 95.5-108.4 -16.0 -29.1 22.0 16.1 23 23 A N T 3< -AB 29 116A 0 4,-1.3 4,-1.6 -3,-0.7 3,-0.4 -0.978 62.3 -34.6-111.7 132.5 -32.2 26.1 14.3 26 26 A G T 4 S- 0 0 4 89,-3.8 92,-0.2 -2,-0.4 94,-0.1 -0.106 102.4 -46.1 61.7-148.4 -34.5 27.3 11.5 27 27 A b T 4 S+ 0 0 8 96,-0.1 7,-0.9 1,-0.1 -1,-0.2 0.645 134.3 29.2 -96.6 -20.3 -38.2 26.4 11.5 28 28 A Y T 4 S+ 0 0 28 -3,-0.4 2,-0.9 5,-0.2 -2,-0.2 0.608 88.7 92.1-119.8 -23.5 -38.1 22.7 12.2 29 29 A c B < S+A 25 0A 6 -4,-1.6 -4,-1.3 -6,-0.1 -5,-0.7 -0.675 87.5 41.3 -77.5 105.3 -35.0 21.9 14.4 30 30 A G S S- 0 0 26 -2,-0.9 2,-0.1 -7,-0.2 -7,-0.0 -0.870 113.6 -28.5 135.1 164.1 -36.6 22.2 17.8 31 31 A L S S- 0 0 179 -2,-0.3 -2,-0.0 2,-0.0 0, 0.0 -0.449 115.4 -27.3 -59.0 129.7 -39.9 21.3 19.5 32 32 A G S S- 0 0 47 -2,-0.1 2,-0.3 17,-0.0 -2,-0.1 -0.237 76.4-143.3 58.0-142.7 -42.6 21.2 16.7 33 33 A G - 0 0 40 -4,-0.1 2,-0.3 16,-0.0 -5,-0.2 -0.838 10.0-153.1 159.1 167.0 -42.1 23.4 13.6 34 34 A S + 0 0 51 -7,-0.9 -7,-0.0 -2,-0.3 87,-0.0 -0.983 49.1 5.8-159.8 160.9 -44.1 25.5 11.3 35 35 A G S S- 0 0 40 -2,-0.3 89,-0.1 89,-0.2 3,-0.0 -0.155 102.2 -30.3 62.2-152.8 -44.2 26.9 7.7 36 36 A T S S- 0 0 114 88,-0.3 -9,-0.1 87,-0.2 -2,-0.1 -0.818 70.6-101.8-103.8 139.7 -41.6 25.8 5.1 37 37 A P - 0 0 28 0, 0.0 -1,-0.1 0, 0.0 -11,-0.1 -0.250 24.7-139.7 -58.2 148.9 -38.0 24.9 6.1 38 38 A V S S- 0 0 49 77,-0.1 2,-0.3 1,-0.1 -12,-0.1 0.664 73.4 -6.4 -89.9 -20.7 -35.5 27.7 5.5 39 39 A D S > S- 0 0 26 1,-0.1 4,-1.7 76,-0.1 5,-0.1 -0.917 85.6 -80.3-154.8-175.1 -32.5 25.6 4.1 40 40 A E H > S+ 0 0 131 -2,-0.3 4,-2.1 2,-0.2 5,-0.1 0.864 126.2 53.2 -61.4 -42.0 -31.4 22.0 3.6 41 41 A L H > S+ 0 0 2 69,-0.4 4,-1.7 2,-0.2 3,-0.4 0.967 110.0 47.2 -54.7 -53.9 -30.4 21.6 7.3 42 42 A D H > S+ 0 0 0 1,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.856 110.7 53.8 -55.8 -32.9 -33.9 22.8 8.5 43 43 A R H X S+ 0 0 115 -4,-1.7 4,-3.4 1,-0.2 -1,-0.3 0.874 100.9 57.8 -77.1 -31.7 -35.4 20.4 5.9 44 44 A d H X S+ 0 0 4 -4,-2.1 4,-2.4 -3,-0.4 -1,-0.2 0.929 109.7 47.5 -56.3 -43.4 -33.4 17.5 7.4 45 45 A c H X S+ 0 0 5 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.890 109.8 50.0 -68.6 -42.8 -35.2 18.5 10.7 46 46 A E H X S+ 0 0 35 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.944 110.0 51.2 -59.1 -50.0 -38.6 18.6 9.0 47 47 A T H X S+ 0 0 70 -4,-3.4 4,-2.6 2,-0.2 -2,-0.2 0.941 111.5 49.6 -49.6 -44.8 -37.9 15.2 7.5 48 48 A H H X S+ 0 0 9 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.949 109.4 50.4 -62.3 -46.6 -37.0 14.0 11.1 49 49 A D H X S+ 0 0 44 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.925 114.1 44.5 -56.3 -46.2 -40.2 15.4 12.6 50 50 A N H X S+ 0 0 48 -4,-2.8 4,-2.9 2,-0.2 -1,-0.2 0.833 108.5 57.4 -69.9 -32.7 -42.3 13.7 9.9 51 51 A e H X S+ 0 0 27 -4,-2.6 4,-2.0 -5,-0.3 -2,-0.2 0.934 109.6 45.6 -60.9 -42.5 -40.3 10.5 10.3 52 52 A Y H X S+ 0 0 15 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.935 109.7 54.5 -64.6 -41.7 -41.4 10.6 14.0 53 53 A R H X S+ 0 0 128 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.942 108.5 49.7 -56.4 -48.6 -45.0 11.4 13.0 54 54 A D H >< S+ 0 0 71 -4,-2.9 3,-0.9 1,-0.2 -1,-0.2 0.886 107.3 53.8 -56.6 -45.8 -45.0 8.3 10.8 55 55 A A H >< S+ 0 0 0 -4,-2.0 3,-1.4 1,-0.3 6,-0.2 0.861 104.2 55.2 -58.5 -39.6 -43.7 6.0 13.6 56 56 A K H 3< S+ 0 0 89 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.714 104.2 56.6 -68.4 -19.7 -46.5 7.1 15.9 57 57 A N T << S+ 0 0 111 -3,-0.9 2,-0.9 -4,-0.7 -1,-0.3 0.402 74.7 110.8 -90.9 1.0 -48.9 6.0 13.2 58 58 A L X - 0 0 53 -3,-1.4 3,-2.6 1,-0.2 -3,-0.0 -0.699 65.0-149.2 -73.5 108.1 -47.5 2.5 13.1 59 59 A D T 3 S+ 0 0 151 -2,-0.9 -1,-0.2 1,-0.3 -4,-0.0 0.821 95.4 58.7 -48.9 -30.2 -50.5 0.7 14.6 60 60 A S T 3 S+ 0 0 100 -3,-0.1 2,-0.5 1,-0.0 -1,-0.3 0.569 95.3 70.3 -76.2 -12.8 -47.9 -1.8 16.0 61 61 A f < + 0 0 4 -3,-2.6 2,-0.4 -6,-0.2 -3,-0.1 -0.924 49.1 176.3-118.6 120.3 -45.9 0.8 18.0 62 62 A K - 0 0 153 -2,-0.5 3,-0.1 -5,-0.0 -6,-0.1 -0.734 21.0-157.1-124.8 86.7 -47.1 2.5 21.2 63 63 A F > - 0 0 15 -2,-0.4 3,-2.3 1,-0.1 6,-0.1 -0.215 30.8 -89.4 -63.7 145.4 -44.2 4.6 22.6 64 64 A L G > S- 0 0 131 1,-0.3 3,-2.5 2,-0.2 6,-0.3 -0.299 114.2 -3.0 -50.4 135.6 -44.0 5.7 26.3 65 65 A V G 3 S- 0 0 119 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.697 122.2 -81.1 43.4 24.4 -45.8 9.0 26.7 66 66 A D G < S+ 0 0 101 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.759 102.0 122.6 63.2 28.2 -46.4 8.8 22.9 67 67 A N X - 0 0 66 -3,-2.5 3,-2.0 1,-0.1 4,-0.2 -0.970 54.4-156.1-125.7 117.6 -43.0 10.1 22.2 68 68 A P G > S+ 0 0 3 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.697 90.0 77.6 -67.5 -12.6 -40.6 8.1 20.1 69 69 A Y G 3 S+ 0 0 65 1,-0.3 -67,-2.3 -68,-0.1 -66,-0.2 0.692 86.2 60.3 -65.7 -15.7 -37.8 9.9 21.8 70 70 A T G < S+ 0 0 55 -3,-2.0 2,-0.6 -6,-0.3 -1,-0.3 0.601 84.8 97.2 -84.6 -9.2 -38.3 7.7 24.8 71 71 A E < - 0 0 42 -3,-1.6 2,-0.3 -4,-0.2 -8,-0.0 -0.710 61.3-155.7 -95.7 119.0 -37.5 4.6 22.8 72 72 A S + 0 0 60 -2,-0.6 2,-0.2 -71,-0.1 20,-0.1 -0.648 16.2 174.5 -92.1 142.3 -34.0 3.3 23.1 73 73 A Y - 0 0 14 -2,-0.3 2,-0.5 -72,-0.1 20,-0.0 -0.619 33.6 -99.4-132.6-172.7 -32.6 1.2 20.3 74 74 A S + 0 0 55 11,-0.2 11,-2.4 -2,-0.2 2,-0.3 -0.956 48.7 150.3-118.3 130.2 -29.1 -0.3 19.7 75 75 A Y E -C 84 0B 44 -2,-0.5 2,-0.3 9,-0.2 9,-0.2 -0.980 25.4-147.9-145.7 168.5 -26.7 1.4 17.4 76 76 A S E -C 83 0B 68 7,-2.0 7,-2.6 -2,-0.3 2,-0.5 -0.962 6.5-142.2-137.0 160.1 -23.0 1.7 17.0 77 77 A a E +C 82 0B 67 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.984 21.7 169.2-118.1 128.0 -20.6 4.3 15.7 78 78 A S E > -C 81 0B 75 3,-2.6 3,-2.4 -2,-0.5 -2,-0.0 -0.943 69.2 -25.7-141.7 120.0 -17.4 3.5 13.8 79 79 A N T 3 S- 0 0 156 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.892 126.0 -47.0 49.8 45.9 -15.2 6.0 11.9 80 80 A T T 3 S+ 0 0 84 1,-0.2 2,-0.4 -70,-0.0 -1,-0.3 0.308 115.0 119.7 87.1 -13.6 -18.1 8.4 11.4 81 81 A E E < -C 78 0B 93 -3,-2.4 -3,-2.6 2,-0.0 2,-0.5 -0.767 51.8-150.7 -95.3 125.4 -20.4 5.6 10.2 82 82 A I E -C 77 0B 2 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.841 11.1-169.4 -92.0 130.4 -23.7 4.9 12.1 83 83 A T E -C 76 0B 75 -7,-2.6 -7,-2.0 -2,-0.5 2,-0.5 -0.978 13.9-145.8-118.8 122.7 -25.0 1.4 12.1 84 84 A g E -C 75 0B 26 -2,-0.5 -9,-0.2 -9,-0.2 2,-0.1 -0.744 32.5-112.5 -81.1 129.2 -28.5 0.6 13.4 85 85 A N > - 0 0 46 -11,-2.4 3,-1.4 -2,-0.5 -11,-0.2 -0.427 14.2-141.5 -64.4 137.8 -28.5 -2.9 15.0 86 86 A S T 3 S+ 0 0 116 1,-0.3 -1,-0.1 -2,-0.1 7,-0.1 0.626 98.2 68.9 -78.1 -12.9 -30.5 -5.4 13.0 87 87 A K T 3 S+ 0 0 176 -13,-0.0 -1,-0.3 2,-0.0 2,-0.1 0.474 72.6 112.3 -85.9 -4.0 -31.8 -6.9 16.3 88 88 A N S < S- 0 0 15 -3,-1.4 -15,-0.1 -14,-0.2 -4,-0.0 -0.454 78.0-111.8 -57.9 137.6 -33.8 -3.7 17.0 89 89 A N > - 0 0 81 -2,-0.1 4,-3.9 1,-0.1 5,-0.3 -0.279 37.4 -91.9 -69.2 166.5 -37.5 -4.6 16.9 90 90 A A H > S+ 0 0 85 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.773 128.3 46.1 -54.7 -33.3 -39.5 -3.0 14.0 91 91 A f H > S+ 0 0 18 2,-0.2 4,-2.0 1,-0.1 -1,-0.2 0.925 115.5 45.6 -78.3 -45.1 -40.5 0.0 16.1 92 92 A E H > S+ 0 0 43 1,-0.2 4,-3.4 2,-0.2 -2,-0.2 0.907 111.9 52.4 -59.3 -43.2 -36.9 0.6 17.4 93 93 A A H X S+ 0 0 29 -4,-3.9 4,-2.7 2,-0.2 -1,-0.2 0.892 107.4 52.6 -63.0 -40.3 -35.5 0.1 13.9 94 94 A F H X S+ 0 0 69 -4,-1.5 4,-2.0 -5,-0.3 -2,-0.2 0.964 114.0 41.6 -59.6 -53.0 -37.9 2.7 12.5 95 95 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.927 111.9 56.2 -56.8 -48.3 -36.8 5.3 15.1 96 96 A g H X S+ 0 0 0 -4,-3.4 4,-3.1 1,-0.2 -2,-0.2 0.942 109.3 46.8 -49.3 -51.0 -33.2 4.2 14.7 97 97 A N H X S+ 0 0 65 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.807 108.4 54.3 -64.2 -34.3 -33.5 5.0 11.0 98 98 A e H X S+ 0 0 3 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.914 114.0 43.0 -59.3 -43.9 -35.1 8.3 11.5 99 99 A D H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.935 115.7 47.1 -72.1 -44.7 -32.2 9.3 13.8 100 100 A R H X S+ 0 0 57 -4,-3.1 4,-2.9 -5,-0.3 5,-0.3 0.960 112.7 48.5 -63.3 -48.1 -29.5 7.9 11.5 101 101 A N H X S+ 0 0 87 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.892 113.0 49.5 -60.2 -35.2 -31.0 9.5 8.3 102 102 A A H X S+ 0 0 5 -4,-1.6 4,-3.1 -5,-0.2 -1,-0.2 0.913 111.2 48.2 -69.4 -41.7 -31.2 12.8 10.2 103 103 A A H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.910 113.9 46.5 -64.0 -40.8 -27.6 12.6 11.4 104 104 A I H X S+ 0 0 50 -4,-2.9 4,-0.5 -5,-0.2 -2,-0.2 0.945 114.7 48.2 -64.3 -46.3 -26.3 11.7 7.9 105 105 A d H >X S+ 0 0 48 -4,-2.3 4,-1.6 -5,-0.3 3,-1.4 0.919 109.7 51.6 -59.0 -50.0 -28.5 14.6 6.5 106 106 A F H 3< S+ 0 0 12 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.878 106.4 56.7 -54.9 -37.8 -27.3 17.1 9.1 107 107 A S H 3< S+ 0 0 49 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.656 112.4 39.1 -72.2 -16.0 -23.7 16.1 8.2 108 108 A K H << S+ 0 0 168 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.595 95.5 91.6-107.8 -19.8 -24.1 17.0 4.5 109 109 A A S < S- 0 0 17 -4,-1.6 2,-0.1 -3,-0.2 -70,-0.0 -0.537 84.2-106.4 -77.3 142.3 -26.3 20.2 4.7 110 110 A P - 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