==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-JAN-09 3FVJ . COMPND 2 MOLECULE: PHOSPHOLIPASE A2, MAJOR ISOENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR Y.H.PAN . 124 1 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7298.0 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 . 8 6.5 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 . 0 0.0 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 9 0, 0.0 4,-1.7 0, 0.0 3,-0.9 0.000 360.0 360.0 360.0 157.7 35.2 7.6 22.2 2 2 A L H 3> + 0 0 76 67,-2.4 4,-1.8 1,-0.3 5,-0.2 0.871 360.0 53.7 -49.6 -43.1 35.9 11.3 22.1 3 3 A W H 3> S+ 0 0 142 66,-0.3 4,-1.4 1,-0.2 -1,-0.3 0.849 108.0 50.7 -64.5 -30.7 39.4 10.8 23.7 4 4 A Q H <> S+ 0 0 10 -3,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.829 105.7 55.9 -74.5 -31.2 40.3 8.3 21.1 5 5 A F H X S+ 0 0 16 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.902 106.3 50.1 -67.5 -40.5 39.3 10.7 18.3 6 6 A R H X S+ 0 0 96 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.877 110.6 50.8 -65.4 -35.3 41.6 13.3 19.6 7 7 A S H X S+ 0 0 42 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.898 105.7 55.4 -67.3 -40.4 44.4 10.7 19.7 8 8 A M H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.871 106.2 52.8 -57.7 -39.3 43.6 9.8 16.1 9 9 A I H X S+ 0 0 5 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.909 107.3 49.3 -64.8 -43.3 44.2 13.4 15.2 10 10 A K H < S+ 0 0 120 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.868 110.3 54.9 -63.7 -33.6 47.6 13.5 16.9 11 11 A a H < S+ 0 0 13 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.961 114.1 36.2 -62.8 -54.3 48.4 10.4 15.0 12 12 A A H < S+ 0 0 10 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.745 131.1 33.8 -72.2 -24.3 47.6 11.8 11.5 13 13 A I S >< S- 0 0 40 -4,-2.1 3,-1.8 -5,-0.2 -1,-0.3 -0.721 73.2-169.4-135.1 82.2 49.0 15.2 12.4 14 14 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.787 84.9 45.2 -38.9 -48.9 51.9 14.8 14.8 15 15 A G T 3 S+ 0 0 66 2,-0.1 -5,-0.1 0, 0.0 -2,-0.0 0.672 90.0 120.6 -77.6 -13.2 52.3 18.5 15.8 16 16 A S < - 0 0 9 -3,-1.8 3,-0.1 -7,-0.2 -3,-0.0 0.012 52.8-155.2 -56.2 152.4 48.5 19.1 16.3 17 17 A H > - 0 0 112 1,-0.2 4,-3.3 -8,-0.0 5,-0.3 -0.746 19.3-164.5-125.5 74.2 46.8 20.2 19.5 18 18 A P H > S+ 0 0 9 0, 0.0 4,-2.6 0, 0.0 5,-0.4 0.773 81.6 41.9 -26.3 -67.3 43.4 18.7 18.7 19 19 A L H > S+ 0 0 99 1,-0.2 4,-1.0 2,-0.2 -2,-0.0 0.942 122.4 40.0 -54.7 -53.1 41.3 20.5 21.3 20 20 A M H 4 S+ 0 0 121 -3,-0.3 -1,-0.2 2,-0.1 -4,-0.0 0.864 124.8 35.6 -66.5 -40.0 43.0 23.9 20.7 21 21 A D H < S+ 0 0 35 -4,-3.3 -2,-0.2 1,-0.1 -1,-0.1 0.905 125.7 30.9 -83.7 -45.1 43.3 23.6 16.9 22 22 A F H < S+ 0 0 23 -4,-2.6 2,-0.4 -5,-0.3 3,-0.3 0.342 97.5 88.0-101.7 6.7 40.1 21.8 15.7 23 23 A N S < S+ 0 0 75 -4,-1.0 7,-0.3 -5,-0.4 94,-0.2 -0.883 96.2 12.7-106.4 137.9 37.5 22.9 18.3 24 24 A N S S+ 0 0 54 5,-1.4 93,-2.3 -2,-0.4 2,-0.4 0.987 91.6 140.9 62.7 58.4 35.5 26.0 17.7 25 25 A Y B > -AB 29 116A 1 4,-2.2 4,-1.8 -3,-0.3 3,-0.4 -1.000 62.0 -33.6-134.1 131.7 36.6 26.4 14.1 26 26 A G T 4 S- 0 0 3 89,-2.9 92,-0.2 -2,-0.4 94,-0.2 -0.235 103.7 -49.4 59.7-143.8 34.4 27.5 11.2 27 27 A b T 4 S+ 0 0 9 96,-0.1 7,-0.5 -3,-0.1 -1,-0.2 0.667 134.8 27.3-101.2 -21.5 30.8 26.5 11.4 28 28 A Y T 4 S+ 0 0 27 -3,-0.4 2,-2.1 5,-0.2 -2,-0.2 0.588 86.1 97.0-120.2 -12.5 31.1 22.8 12.2 29 29 A c B < S+A 25 0A 5 -4,-1.8 -4,-2.2 -6,-0.1 -5,-1.4 -0.552 90.8 31.1 -80.5 80.0 34.4 22.1 14.0 30 30 A G S S- 0 0 27 -2,-2.1 2,-0.6 -7,-0.3 -3,-0.0 -0.963 115.3 -17.6 165.4-157.6 32.8 22.1 17.4 31 31 A L S S- 0 0 181 -2,-0.3 -2,-0.1 2,-0.0 -8,-0.0 -0.646 109.7 -42.0 -80.1 119.1 29.5 21.2 19.0 32 32 A G S S- 0 0 40 -2,-0.6 2,-0.3 -4,-0.1 -2,-0.2 -0.220 74.2-152.9 60.8-154.5 26.7 21.0 16.4 33 33 A G - 0 0 46 -4,-0.1 2,-0.3 16,-0.0 -5,-0.2 -0.982 10.6-137.5 169.7-176.0 26.7 23.7 13.8 34 34 A S + 0 0 54 -7,-0.5 -2,-0.0 -2,-0.3 0, 0.0 -0.977 56.2 11.1-164.0 161.1 24.7 25.7 11.3 35 35 A G S S- 0 0 37 -2,-0.3 89,-0.1 89,-0.1 88,-0.0 -0.202 99.0 -35.4 66.3-154.9 24.8 27.0 7.7 36 36 A T - 0 0 112 87,-0.2 -2,-0.1 1,-0.1 7,-0.0 -0.819 68.4 -96.8-107.3 144.6 27.4 25.9 5.2 37 37 A P - 0 0 25 0, 0.0 -1,-0.1 0, 0.0 -11,-0.1 -0.264 24.7-140.9 -57.6 144.1 31.0 25.0 6.0 38 38 A V S S- 0 0 47 1,-0.1 2,-0.3 77,-0.1 -12,-0.1 0.673 73.5 -13.7 -83.4 -18.6 33.5 27.9 5.3 39 39 A D S > S- 0 0 26 1,-0.1 4,-2.3 76,-0.1 5,-0.2 -0.953 86.1 -70.6-165.4-179.0 36.3 25.7 3.9 40 40 A E H > S+ 0 0 95 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.912 127.5 48.1 -50.6 -51.9 37.6 22.1 3.4 41 41 A L H > S+ 0 0 1 69,-0.4 4,-1.8 1,-0.2 3,-0.3 0.948 111.4 50.1 -55.9 -50.8 38.5 21.7 7.1 42 42 A D H > S+ 0 0 0 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.867 110.3 51.4 -57.0 -36.3 35.1 23.0 8.2 43 43 A R H X S+ 0 0 133 -4,-2.3 4,-2.9 2,-0.2 -1,-0.3 0.852 102.3 58.7 -70.3 -33.7 33.5 20.6 5.8 44 44 A d H X S+ 0 0 3 -4,-2.1 4,-1.9 -3,-0.3 -1,-0.2 0.907 108.8 47.6 -59.0 -40.1 35.5 17.7 7.2 45 45 A c H X S+ 0 0 6 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.899 109.6 50.4 -68.6 -41.6 33.9 18.6 10.5 46 46 A E H X S+ 0 0 49 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.928 110.3 51.2 -62.4 -43.9 30.4 18.8 9.0 47 47 A T H X S+ 0 0 82 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.896 108.1 52.0 -60.0 -40.6 30.9 15.3 7.4 48 48 A H H X S+ 0 0 8 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.917 110.6 48.5 -62.2 -42.9 32.0 14.0 10.8 49 49 A D H X S+ 0 0 29 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.945 112.3 47.6 -60.6 -49.5 28.8 15.4 12.3 50 50 A N H X S+ 0 0 47 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.859 109.6 54.8 -59.3 -37.1 26.7 13.8 9.5 51 51 A e H X S+ 0 0 27 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.888 108.4 47.4 -63.9 -40.4 28.5 10.5 10.0 52 52 A Y H X S+ 0 0 13 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.846 109.7 54.9 -70.1 -32.3 27.6 10.6 13.7 53 53 A R H X S+ 0 0 121 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.934 107.0 48.9 -66.2 -45.7 24.0 11.4 12.7 54 54 A D H < S+ 0 0 91 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.871 110.4 53.0 -61.1 -37.0 23.9 8.3 10.4 55 55 A A H >< S+ 0 0 0 -4,-1.7 3,-1.6 1,-0.2 -1,-0.2 0.921 106.5 50.6 -64.7 -45.1 25.3 6.2 13.2 56 56 A K H 3< S+ 0 0 81 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.761 106.8 58.0 -63.8 -25.2 22.6 7.4 15.7 57 57 A N T 3< S+ 0 0 117 -4,-1.3 2,-0.6 -5,-0.2 -1,-0.3 0.189 77.8 112.3 -92.4 16.6 20.0 6.5 13.1 58 58 A L X - 0 0 52 -3,-1.6 3,-1.3 1,-0.2 -3,-0.0 -0.815 59.6-151.8 -91.0 120.6 21.1 2.9 12.9 59 59 A D T 3 S+ 0 0 171 -2,-0.6 -1,-0.2 1,-0.3 -4,-0.0 0.882 96.9 55.8 -58.0 -38.3 18.3 0.7 14.3 60 60 A S T 3 S+ 0 0 103 -3,-0.1 2,-0.4 30,-0.0 -1,-0.3 0.630 101.4 69.9 -70.6 -15.3 21.0 -1.9 15.2 61 61 A f < + 0 0 11 -3,-1.3 2,-0.4 -6,-0.2 -3,-0.1 -0.876 49.7 176.9-113.7 140.1 22.9 0.6 17.3 62 62 A K - 0 0 153 -2,-0.4 2,-0.2 -5,-0.1 -6,-0.1 -0.864 15.4-161.1-139.0 100.9 22.1 2.3 20.6 63 63 A F > - 0 0 4 -2,-0.4 3,-2.8 1,-0.1 6,-0.1 -0.571 33.2 -95.1 -85.4 145.1 24.8 4.6 22.1 64 64 A L G > S+ 0 0 128 1,-0.3 3,-2.4 -2,-0.2 6,-0.3 -0.313 114.3 2.7 -56.0 134.9 24.9 5.6 25.7 65 65 A V G 3 S- 0 0 117 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.701 121.7 -86.1 58.4 16.4 23.1 9.0 26.1 66 66 A D G < S+ 0 0 68 -3,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.839 99.7 129.4 52.0 34.0 22.6 8.5 22.4 67 67 A N X - 0 0 59 -3,-2.4 3,-2.4 1,-0.1 4,-0.3 -0.935 51.3-158.5-124.4 107.9 26.0 10.1 21.9 68 68 A P G > S+ 0 0 2 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.751 88.0 75.5 -53.4 -27.5 28.5 8.2 19.7 69 69 A Y G 3 S+ 0 0 60 1,-0.3 -67,-2.4 -68,-0.1 -66,-0.3 0.689 90.5 57.5 -60.9 -17.4 31.3 10.1 21.4 70 70 A T G < S+ 0 0 59 -3,-2.4 2,-0.8 -6,-0.3 -1,-0.3 0.593 82.7 103.1 -86.5 -13.1 30.8 7.7 24.4 71 71 A E < - 0 0 40 -3,-2.1 2,-0.3 -4,-0.3 -8,-0.0 -0.613 61.6-155.6 -79.0 110.9 31.3 4.7 22.1 72 72 A S + 0 0 60 -2,-0.8 2,-0.2 -71,-0.1 20,-0.1 -0.642 18.8 170.9 -87.5 134.8 34.8 3.3 22.8 73 73 A Y - 0 0 10 -2,-0.3 2,-0.4 -72,-0.1 20,-0.0 -0.723 33.0-101.8-130.9-177.6 36.5 1.2 20.0 74 74 A S + 0 0 53 -2,-0.2 11,-2.0 11,-0.2 2,-0.3 -0.944 46.0 149.6-115.1 132.5 39.9 -0.2 19.3 75 75 A Y E -C 84 0B 50 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.961 26.8-144.2-151.1 165.3 42.3 1.3 16.8 76 76 A S E -C 83 0B 65 7,-2.2 7,-2.4 -2,-0.3 2,-0.4 -0.992 6.0-142.7-140.1 146.4 46.1 1.6 16.4 77 77 A a E +C 82 0B 67 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.905 20.1 170.4-110.1 135.0 48.5 4.3 15.1 78 78 A S E > S-C 81 0B 70 3,-2.6 3,-1.4 -2,-0.4 -2,-0.0 -0.816 70.8 -32.4-147.3 101.0 51.6 3.5 13.0 79 79 A N T 3 S- 0 0 152 -2,-0.3 3,-0.1 1,-0.3 -67,-0.1 0.962 123.5 -43.0 52.9 63.8 53.6 6.3 11.4 80 80 A T T 3 S+ 0 0 79 1,-0.2 2,-0.5 -69,-0.2 -1,-0.3 0.250 116.1 118.7 71.4 -15.0 50.7 8.7 10.8 81 81 A E E < -C 78 0B 96 -3,-1.4 -3,-2.6 -70,-0.0 2,-0.4 -0.731 52.1-154.0 -90.1 127.0 48.6 5.8 9.6 82 82 A I E -C 77 0B 2 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.819 8.9-168.8-100.2 136.0 45.4 5.0 11.5 83 83 A T E -C 76 0B 68 -7,-2.4 -7,-2.2 -2,-0.4 2,-0.5 -0.976 13.2-146.9-130.4 122.8 44.0 1.5 11.6 84 84 A g E -C 75 0B 27 -2,-0.4 -9,-0.2 -9,-0.2 2,-0.2 -0.752 32.9-112.7 -86.8 126.3 40.5 0.5 12.9 85 85 A N > - 0 0 47 -11,-2.0 3,-2.0 -2,-0.5 -11,-0.2 -0.382 13.9-139.9 -61.4 127.1 40.6 -2.9 14.4 86 86 A S T 3 S+ 0 0 114 1,-0.3 -1,-0.2 -2,-0.2 7,-0.1 0.685 98.8 67.6 -61.1 -17.8 38.5 -5.4 12.4 87 87 A K T 3 S+ 0 0 165 -13,-0.0 -1,-0.3 2,-0.0 2,-0.1 0.432 70.4 112.0 -86.2 1.9 37.2 -6.8 15.7 88 88 A N S < S- 0 0 16 -3,-2.0 -15,-0.1 -14,-0.2 2,-0.0 -0.474 78.1-108.7 -67.9 146.8 35.2 -3.7 16.6 89 89 A N > - 0 0 78 -2,-0.1 4,-3.6 1,-0.1 5,-0.3 -0.342 38.3 -91.4 -73.9 164.1 31.5 -4.5 16.5 90 90 A A H > S+ 0 0 82 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.826 127.7 44.1 -42.6 -45.9 29.5 -3.0 13.7 91 91 A f H > S+ 0 0 19 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.935 116.0 46.5 -68.4 -47.1 28.5 0.1 15.7 92 92 A E H > S+ 0 0 43 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.903 111.9 52.2 -60.9 -42.3 32.0 0.6 17.0 93 93 A A H X S+ 0 0 28 -4,-3.6 4,-2.4 1,-0.2 -1,-0.2 0.911 107.1 52.7 -62.0 -41.8 33.4 0.1 13.6 94 94 A F H X S+ 0 0 68 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.932 113.4 42.9 -60.6 -45.5 31.1 2.7 12.1 95 95 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.919 111.2 55.4 -67.0 -42.5 32.2 5.3 14.7 96 96 A g H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.891 109.9 46.7 -57.1 -42.1 35.9 4.3 14.3 97 97 A N H X S+ 0 0 67 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.882 108.0 55.1 -70.2 -36.9 35.7 5.0 10.6 98 98 A e H X S+ 0 0 3 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.960 114.1 41.8 -58.3 -49.3 33.9 8.3 11.1 99 99 A D H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.918 115.3 50.0 -63.4 -45.5 36.7 9.4 13.4 100 100 A R H X S+ 0 0 58 -4,-2.7 4,-2.3 -5,-0.2 5,-0.2 0.917 111.4 47.3 -60.8 -46.5 39.4 8.0 11.1 101 101 A N H X S+ 0 0 87 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.867 113.9 49.5 -64.0 -35.0 38.0 9.6 8.0 102 102 A A H X S+ 0 0 5 -4,-1.9 4,-2.6 -5,-0.3 -2,-0.2 0.926 109.4 50.3 -69.4 -45.2 37.8 12.9 9.9 103 103 A A H X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.913 114.7 44.3 -59.3 -43.8 41.3 12.7 11.2 104 104 A I H X S+ 0 0 54 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.912 111.4 53.0 -66.9 -43.1 42.6 12.0 7.7 105 105 A d H >X S+ 0 0 48 -4,-2.4 3,-0.8 1,-0.2 4,-0.6 0.902 108.5 51.8 -58.8 -41.1 40.5 14.7 6.2 106 106 A F H >< S+ 0 0 11 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.899 104.5 56.6 -61.9 -42.4 41.9 17.1 8.7 107 107 A S H 3< S+ 0 0 52 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.659 112.8 40.6 -66.6 -16.4 45.5 16.2 7.8 108 108 A K H << S+ 0 0 171 -3,-0.8 -1,-0.2 -4,-0.8 -2,-0.2 0.402 95.9 93.7-112.7 2.0 44.9 17.1 4.2 109 109 A A S << S- 0 0 15 -3,-1.0 -70,-0.0 -4,-0.6 -4,-0.0 -0.789 80.4-108.6-101.0 137.1 42.8 20.3 4.5 110 110 A P - 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