==== 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 12-SEP-05 2AZZ . COMPND 2 MOLECULE: PHOSPHOLIPASE A2, MAJOR ISOENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR Y.H.PAN,B.J.BAHNSON,M.K.JAIN . 124 1 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7798.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 79 63.7 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 . 0 0.0 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 . 6 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 35.5 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 0 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 4 0, 0.0 4,-1.7 0, 0.0 3,-1.4 0.000 360.0 360.0 360.0 153.7 34.7 7.4 20.8 2 2 A L H 3> + 0 0 76 67,-2.5 4,-2.0 1,-0.3 3,-0.2 0.835 360.0 51.6 -42.4 -51.1 35.6 11.1 21.0 3 3 A W H 3> S+ 0 0 147 66,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.813 109.7 51.4 -62.3 -28.6 38.9 10.7 22.8 4 4 A Q H <> S+ 0 0 14 -3,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.828 104.4 56.4 -76.2 -32.4 40.0 8.2 20.1 5 5 A F H X S+ 0 0 14 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.930 107.1 50.7 -63.5 -42.5 39.1 10.6 17.4 6 6 A R H X S+ 0 0 98 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.890 111.8 45.5 -63.2 -39.9 41.5 13.1 19.0 7 7 A S H X S+ 0 0 34 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.896 109.6 55.8 -70.4 -37.0 44.3 10.6 19.2 8 8 A M H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.907 108.6 48.3 -58.6 -41.8 43.5 9.5 15.6 9 9 A I H X S+ 0 0 35 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.859 108.8 52.0 -68.0 -36.7 44.0 13.2 14.6 10 10 A K H < S+ 0 0 93 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.906 108.3 54.5 -64.2 -39.2 47.3 13.4 16.6 11 11 A a H < S+ 0 0 14 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.851 115.0 37.1 -61.2 -39.7 48.3 10.3 14.6 12 12 A A H < S+ 0 0 18 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.731 129.9 32.3 -86.6 -24.5 47.6 12.0 11.2 13 13 A I >< + 0 0 49 -4,-2.2 3,-1.7 -5,-0.2 -1,-0.2 -0.633 66.1 178.4-135.1 75.6 48.8 15.4 12.3 14 14 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.798 80.2 59.5 -45.1 -38.8 51.7 15.0 14.9 15 15 A G T 3 S+ 0 0 78 2,-0.1 -5,-0.1 -5,-0.0 2,-0.0 0.090 77.2 137.8 -84.3 25.3 52.2 18.8 15.1 16 16 A S < - 0 0 34 -3,-1.7 3,-0.1 -6,-0.2 -6,-0.0 -0.330 60.3-111.6 -68.8 153.9 48.6 19.4 16.3 17 17 A H > - 0 0 123 1,-0.1 3,-1.8 2,-0.0 4,-0.2 -0.795 17.8-153.5 -91.5 117.6 48.0 21.9 19.1 18 18 A P G > S+ 0 0 80 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.831 95.0 56.8 -57.3 -36.1 46.8 20.2 22.3 19 19 A L G > S+ 0 0 106 1,-0.2 3,-1.4 2,-0.1 4,-0.3 0.474 82.4 88.9 -76.5 -1.1 45.0 23.3 23.5 20 20 A M G X S+ 0 0 49 -3,-1.8 3,-1.6 1,-0.3 -1,-0.2 0.753 70.3 74.3 -68.0 -23.0 43.0 23.3 20.3 21 21 A D G < S+ 0 0 110 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.1 0.624 87.0 63.0 -66.3 -11.3 40.4 21.1 22.0 22 22 A F G < S+ 0 0 173 -3,-1.4 -1,-0.3 -4,-0.1 2,-0.2 0.657 101.6 61.1 -85.3 -17.3 39.2 24.1 24.0 23 23 A N S < S- 0 0 50 -3,-1.6 2,-0.2 -4,-0.3 93,-0.0 -0.664 70.6-134.8-112.9 165.7 38.1 26.0 20.8 24 24 A N - 0 0 91 -2,-0.2 93,-2.6 6,-0.1 2,-0.4 -0.664 19.3-149.2-107.3 166.4 35.7 25.6 18.0 25 25 A Y B > -AB 29 116A 13 4,-2.5 4,-1.4 91,-0.2 3,-0.3 -0.996 47.5 -32.7-144.0 135.9 36.5 26.2 14.3 26 26 A G T 4 S- 0 0 3 89,-2.6 94,-0.2 -2,-0.4 92,-0.2 -0.117 99.5 -49.7 57.2-152.0 34.4 27.3 11.4 27 27 A b T 4 S+ 0 0 7 96,-0.1 7,-0.9 1,-0.1 -1,-0.2 0.672 134.9 24.3 -93.1 -21.2 30.7 26.5 11.2 28 28 A Y T 4 S+ 0 0 34 -3,-0.3 2,-1.2 5,-0.2 -2,-0.2 0.646 87.2 100.2-120.5 -20.3 30.9 22.7 11.8 29 29 A c B < S+A 25 0A 23 -4,-1.4 -4,-2.5 2,-0.0 2,-0.2 -0.571 84.1 36.0 -73.5 101.4 34.1 21.9 13.7 30 30 A G S S- 0 0 33 -2,-1.2 -6,-0.1 -6,-0.2 -7,-0.0 -0.774 114.5 -30.0 141.4 175.8 32.6 21.6 17.2 31 31 A L S S- 0 0 166 -2,-0.2 -2,-0.0 2,-0.0 18,-0.0 -0.355 115.1 -17.8 -60.4 134.2 29.4 20.3 18.7 32 32 A G S S- 0 0 46 1,-0.0 2,-0.2 17,-0.0 -2,-0.2 -0.242 73.7-149.2 68.3-154.1 26.6 20.8 16.2 33 33 A G - 0 0 43 -4,-0.1 2,-0.3 91,-0.0 -5,-0.2 -0.852 7.5-153.6 160.5 166.1 26.9 23.2 13.3 34 34 A S + 0 0 51 -7,-0.9 0, 0.0 -2,-0.2 0, 0.0 -0.985 53.6 4.6-160.1 160.1 24.8 25.4 11.1 35 35 A G S S- 0 0 38 -2,-0.3 89,-0.1 89,-0.2 85,-0.0 -0.300 102.4 -38.6 62.2-144.2 24.7 26.9 7.6 36 36 A T - 0 0 106 1,-0.1 7,-0.1 -3,-0.0 -9,-0.1 -0.926 67.8 -89.9-121.8 147.2 27.4 25.9 5.2 37 37 A P - 0 0 22 0, 0.0 3,-0.1 0, 0.0 -11,-0.1 -0.122 26.5-147.3 -48.5 141.7 31.2 25.2 5.8 38 38 A V S S- 0 0 51 1,-0.1 2,-0.3 77,-0.1 3,-0.1 0.684 71.9 -4.6 -88.6 -20.7 33.4 28.2 5.4 39 39 A D S > S- 0 0 19 1,-0.1 4,-2.6 76,-0.0 5,-0.2 -0.930 85.3 -77.3-157.6-178.8 36.5 26.3 4.1 40 40 A E H > S+ 0 0 109 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.935 126.0 48.2 -52.5 -54.7 38.0 22.9 3.3 41 41 A L H > S+ 0 0 20 69,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.925 112.6 49.4 -53.3 -48.3 38.8 22.1 7.0 42 42 A D H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.895 107.9 54.7 -60.0 -40.3 35.3 23.1 8.0 43 43 A R H X S+ 0 0 157 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.906 102.7 56.3 -59.9 -42.7 33.9 20.9 5.2 44 44 A d H X S+ 0 0 2 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.916 110.5 45.8 -54.8 -42.9 35.9 18.0 6.6 45 45 A c H X S+ 0 0 11 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.904 111.0 50.5 -68.2 -42.6 34.0 18.6 9.9 46 46 A E H X S+ 0 0 50 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.940 110.8 50.1 -60.2 -46.5 30.6 19.0 8.3 47 47 A T H X S+ 0 0 86 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.913 110.3 49.9 -57.5 -44.3 31.1 15.7 6.4 48 48 A H H X S+ 0 0 6 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.917 110.4 50.5 -61.6 -42.4 32.1 14.0 9.6 49 49 A D H X S+ 0 0 40 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.956 111.3 48.3 -59.0 -49.4 29.0 15.4 11.2 50 50 A N H X S+ 0 0 46 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.891 108.9 54.3 -57.5 -40.4 26.9 14.1 8.3 51 51 A e H X S+ 0 0 27 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.900 109.4 46.9 -61.7 -41.5 28.7 10.7 8.7 52 52 A Y H X S+ 0 0 12 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.859 107.8 56.9 -68.5 -35.2 27.7 10.6 12.4 53 53 A R H X S+ 0 0 118 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.926 106.6 48.7 -61.4 -43.5 24.1 11.6 11.4 54 54 A D H < S+ 0 0 75 -4,-2.2 3,-0.4 1,-0.2 4,-0.3 0.846 107.6 57.0 -63.9 -32.4 24.0 8.5 9.1 55 55 A A H >< S+ 0 0 0 -4,-1.4 3,-1.4 1,-0.2 -1,-0.2 0.914 103.1 52.4 -63.9 -43.2 25.3 6.5 12.0 56 56 A K H 3< S+ 0 0 111 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.687 106.5 56.2 -66.3 -18.5 22.4 7.6 14.2 57 57 A N T 3< S+ 0 0 108 -4,-0.8 2,-0.4 -3,-0.4 -1,-0.3 0.460 74.7 116.9 -94.2 -1.5 20.1 6.4 11.4 58 58 A L X - 0 0 56 -3,-1.4 3,-1.3 -4,-0.3 -3,-0.0 -0.551 60.9-145.4 -69.3 121.8 21.4 2.8 11.3 59 59 A D T 3 S+ 0 0 174 -2,-0.4 -1,-0.2 1,-0.3 -3,-0.0 0.840 96.5 47.4 -57.3 -37.6 18.5 0.6 12.2 60 60 A S T 3 S+ 0 0 108 -3,-0.0 2,-0.4 30,-0.0 -1,-0.3 0.504 103.8 74.5 -85.1 -3.8 20.7 -2.0 14.0 61 61 A f < + 0 0 10 -3,-1.3 2,-0.3 -6,-0.2 -3,-0.0 -0.926 44.9 164.6-117.5 135.7 22.7 0.6 16.0 62 62 A K - 0 0 157 -2,-0.4 2,-0.2 5,-0.0 3,-0.1 -0.931 23.7-151.3-145.2 114.2 21.6 2.7 19.0 63 63 A F > - 0 0 15 -2,-0.3 3,-3.2 1,-0.1 6,-0.1 -0.530 33.7 -78.2 -93.9 158.3 24.3 4.4 21.1 64 64 A L G > S- 0 0 131 1,-0.3 3,-2.6 2,-0.2 6,-0.2 -0.247 119.6 -7.5 -50.4 129.6 24.5 5.4 24.7 65 65 A V G 3 S- 0 0 118 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.773 122.6 -76.3 45.6 32.1 22.4 8.6 25.1 66 66 A D G < S+ 0 0 86 -3,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.752 99.1 133.5 55.5 28.9 22.2 8.5 21.3 67 67 A N X - 0 0 57 -3,-2.6 3,-2.6 1,-0.1 4,-0.4 -0.899 45.3-164.0-118.4 107.5 25.7 9.8 21.0 68 68 A P G > S+ 0 0 0 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.741 89.0 72.2 -53.9 -26.4 28.0 8.1 18.4 69 69 A Y G 3 S+ 0 0 50 1,-0.3 -67,-2.5 -68,-0.1 -66,-0.2 0.645 89.5 59.6 -66.7 -14.8 30.9 9.8 20.2 70 70 A T G < S+ 0 0 52 -3,-2.6 2,-0.7 -6,-0.2 -1,-0.3 0.690 81.0 101.3 -85.4 -19.4 30.4 7.5 23.2 71 71 A E < - 0 0 41 -3,-1.1 2,-0.3 -4,-0.4 -8,-0.0 -0.539 61.8-156.9 -72.3 108.1 31.1 4.4 21.0 72 72 A S + 0 0 54 -2,-0.7 2,-0.2 -71,-0.1 20,-0.1 -0.647 17.1 174.1 -86.1 141.7 34.6 3.2 21.6 73 73 A Y - 0 0 13 -2,-0.3 2,-0.4 -72,-0.1 20,-0.1 -0.615 29.7-103.1-130.0-170.6 36.3 1.2 18.8 74 74 A S + 0 0 52 -2,-0.2 11,-2.3 11,-0.2 2,-0.3 -0.965 43.9 148.9-123.7 139.3 39.7 -0.3 18.1 75 75 A Y E -C 84 0B 53 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.973 28.8-136.7-160.1 164.5 42.3 1.1 15.7 76 76 A S E -C 83 0B 64 7,-2.3 7,-2.3 -2,-0.3 2,-0.4 -0.919 6.9-147.9-130.8 156.0 46.0 1.4 15.2 77 77 A a E +C 82 0B 63 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.984 20.2 164.4-126.3 132.8 48.4 4.1 14.1 78 78 A S E > S-C 81 0B 52 3,-2.2 3,-0.8 -2,-0.4 -2,-0.0 -0.860 72.8 -16.6-152.1 112.8 51.7 3.6 12.2 79 79 A N T 3 S- 0 0 146 -2,-0.3 3,-0.1 1,-0.3 -68,-0.0 0.937 126.9 -52.4 59.2 49.6 53.6 6.4 10.4 80 80 A T T 3 S+ 0 0 83 1,-0.2 2,-0.5 -69,-0.0 -1,-0.3 0.652 112.6 130.1 60.6 16.9 50.7 8.8 10.5 81 81 A E E < -C 78 0B 112 -3,-0.8 -3,-2.2 2,-0.0 2,-0.4 -0.899 46.8-151.7-105.7 125.6 48.7 5.9 8.9 82 82 A I E -C 77 0B 6 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.808 13.4-178.3-101.7 134.2 45.3 5.0 10.5 83 83 A T E -C 76 0B 62 -7,-2.3 -7,-2.3 -2,-0.4 2,-0.3 -0.969 18.4-142.7-135.1 120.4 43.7 1.5 10.4 84 84 A g E -C 75 0B 35 -2,-0.4 -9,-0.2 -9,-0.2 2,-0.2 -0.612 31.9-110.6 -79.8 136.7 40.4 0.5 11.9 85 85 A N > - 0 0 62 -11,-2.3 3,-1.8 -2,-0.3 -11,-0.2 -0.467 12.2-142.3 -69.8 132.4 40.3 -2.9 13.4 86 86 A S T 3 S+ 0 0 116 1,-0.3 -1,-0.2 -2,-0.2 7,-0.1 0.699 99.4 69.9 -66.5 -17.2 38.2 -5.4 11.4 87 87 A K T 3 S+ 0 0 178 2,-0.0 -1,-0.3 6,-0.0 -2,-0.1 0.553 72.9 110.9 -77.2 -9.1 37.2 -6.8 14.8 88 88 A N S < S- 0 0 15 -3,-1.8 -15,-0.1 -14,-0.2 2,-0.1 -0.386 77.3-113.3 -62.5 144.1 35.1 -3.7 15.5 89 89 A N > - 0 0 69 1,-0.1 4,-3.3 4,-0.0 5,-0.3 -0.367 36.3 -93.0 -75.6 165.3 31.4 -4.5 15.4 90 90 A A H > S+ 0 0 76 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.853 127.3 45.6 -45.2 -47.8 29.3 -2.9 12.6 91 91 A f H > S+ 0 0 20 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.937 116.5 45.4 -64.5 -45.7 28.3 0.1 14.6 92 92 A E H > S+ 0 0 41 1,-0.2 4,-3.3 2,-0.2 -2,-0.2 0.855 111.6 52.5 -65.0 -37.3 31.9 0.6 15.8 93 93 A A H X S+ 0 0 41 -4,-3.3 4,-2.2 2,-0.2 -1,-0.2 0.885 108.5 50.8 -66.9 -38.6 33.3 0.1 12.3 94 94 A F H X S+ 0 0 66 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.940 115.3 42.3 -64.5 -45.4 31.0 2.7 10.9 95 95 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.925 113.3 51.5 -67.8 -44.2 32.1 5.2 13.6 96 96 A g H X S+ 0 0 0 -4,-3.3 4,-2.5 1,-0.2 -1,-0.2 0.875 109.8 52.0 -59.6 -36.5 35.8 4.3 13.3 97 97 A N H X S+ 0 0 83 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.898 107.1 51.0 -67.7 -41.4 35.5 4.8 9.5 98 98 A e H X S+ 0 0 3 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.946 113.4 46.2 -60.9 -46.7 33.9 8.3 9.9 99 99 A D H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.913 111.5 50.5 -61.6 -46.7 36.8 9.3 12.2 100 100 A R H X S+ 0 0 82 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.931 112.6 46.4 -58.6 -48.1 39.5 7.9 10.0 101 101 A N H X S+ 0 0 80 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.890 113.4 49.1 -63.1 -40.3 38.2 9.7 6.9 102 102 A A H X S+ 0 0 5 -4,-2.2 4,-2.9 -5,-0.2 -2,-0.2 0.927 110.2 50.8 -66.2 -43.5 37.8 12.9 8.8 103 103 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.920 112.1 47.0 -59.7 -44.4 41.3 12.7 10.3 104 104 A I H X S+ 0 0 59 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.930 112.0 50.9 -62.6 -44.3 42.7 12.1 6.8 105 105 A d H >X S+ 0 0 40 -4,-2.4 3,-0.9 1,-0.2 4,-0.8 0.909 108.7 52.2 -59.8 -43.0 40.7 15.0 5.4 106 106 A F H >< S+ 0 0 25 -4,-2.9 3,-0.9 1,-0.2 -1,-0.2 0.902 103.4 57.7 -60.4 -42.9 42.0 17.3 8.2 107 107 A S H 3< S+ 0 0 59 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.698 109.8 44.7 -62.6 -20.8 45.6 16.4 7.4 108 108 A K H << S+ 0 0 154 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.531 97.3 89.3-100.9 -9.3 45.2 17.6 3.9 109 109 A A S << S- 0 0 17 -3,-0.9 2,-0.2 -4,-0.8 -70,-0.0 -0.646 78.4-112.0 -96.0 149.4 43.3 20.9 4.6 110 110 A P - 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