==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (CARBOXYLIC ESTER) 16-NOV-94 1CEH . COMPND 2 MOLECULE: PHOSPHOLIPASE A2; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR A.KUMAR,C.SEKHARUDU,B.RAMAKRISHNAN,C.M.DUPUREUR,H.ZHU,M.- . 123 1 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7140.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 80 65.0 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 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 37.4 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 2 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 0 0, 0.0 4,-2.5 0, 0.0 69,-0.2 0.000 360.0 360.0 360.0 -39.1 31.8 4.5 76.3 2 2 A L H > + 0 0 54 67,-2.6 4,-2.8 2,-0.2 5,-0.2 0.912 360.0 41.0 -66.6 -50.7 32.6 1.9 73.5 3 3 A W H > S+ 0 0 166 66,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.873 116.1 52.0 -70.7 -30.5 32.2 -1.3 75.5 4 4 A Q H > S+ 0 0 37 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.971 110.4 47.2 -68.4 -44.4 29.2 0.1 77.2 5 5 A F H X S+ 0 0 16 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.902 110.4 53.8 -58.9 -43.0 27.7 1.1 73.7 6 6 A N H X S+ 0 0 34 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.951 111.6 45.5 -51.0 -47.4 28.6 -2.5 72.5 7 7 A G H X S+ 0 0 16 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.899 111.0 53.0 -67.8 -38.8 26.6 -3.8 75.5 8 8 A M H X S+ 0 0 0 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.910 108.4 49.4 -60.9 -44.4 23.8 -1.5 74.9 9 9 A I H X S+ 0 0 5 -4,-2.6 4,-3.1 1,-0.2 3,-0.3 0.935 110.8 49.3 -63.8 -44.0 23.4 -2.6 71.3 10 10 A K H < S+ 0 0 60 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.851 104.4 61.9 -64.8 -27.9 23.4 -6.3 72.4 11 11 A a H < S+ 0 0 6 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.919 116.4 30.3 -58.6 -41.5 20.7 -5.3 75.0 12 12 A K H < S+ 0 0 47 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.798 132.2 33.6 -87.7 -31.5 18.5 -4.3 72.1 13 13 A I >< + 0 0 32 -4,-3.1 3,-1.8 -5,-0.2 -1,-0.3 -0.761 68.1 179.6-127.2 85.1 19.8 -6.8 69.4 14 14 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.650 78.2 58.5 -70.1 -15.9 20.7 -9.9 71.4 15 15 A S T 3 S+ 0 0 112 2,-0.0 2,-0.2 -5,-0.0 -5,-0.1 0.486 92.5 95.5 -84.8 -2.5 21.8 -11.8 68.3 16 16 A S < - 0 0 5 -3,-1.8 3,-0.1 -6,-0.1 -3,-0.1 -0.638 58.8-157.3 -98.5 148.6 24.4 -9.3 67.3 17 17 A E >> - 0 0 103 -2,-0.2 4,-2.8 1,-0.1 3,-1.7 -0.910 26.9-168.5-107.1 90.9 28.1 -8.9 67.9 18 18 A P H 3> S+ 0 0 5 0, 0.0 4,-2.2 0, 0.0 5,-0.5 0.795 79.2 59.2 -58.1 -35.4 28.0 -5.1 67.4 19 19 A L H 34 S+ 0 0 73 1,-0.2 4,-0.1 2,-0.2 -13,-0.0 0.801 118.9 33.4 -66.6 -25.1 31.7 -4.5 67.1 20 20 A L H <4 S+ 0 0 108 -3,-1.7 -1,-0.2 2,-0.1 -4,-0.0 0.865 122.5 43.1 -93.1 -44.4 31.6 -6.9 64.1 21 21 A D H < S+ 0 0 61 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.0 0.836 124.3 28.6 -75.7 -35.2 28.2 -6.2 62.6 22 22 A F S >< S+ 0 0 17 -4,-2.2 3,-0.6 -5,-0.3 2,-0.3 0.498 91.2 100.9-109.0 -4.6 28.0 -2.4 62.8 23 23 A N T 3 S+ 0 0 80 -5,-0.5 94,-0.2 1,-0.3 7,-0.2 -0.667 93.6 12.3 -86.0 140.0 31.6 -1.3 62.6 24 24 A N T 3 S+ 0 0 70 5,-1.0 93,-3.0 -2,-0.3 2,-0.5 0.960 89.0 145.3 57.1 58.4 32.5 -0.1 59.1 25 25 A Y B <> -AB 29 116A 0 4,-1.7 4,-1.5 -3,-0.6 3,-0.5 -0.992 62.5 -35.7-125.0 125.9 29.0 0.1 57.8 26 26 A G T 4 S- 0 0 2 89,-3.1 92,-0.1 -2,-0.5 94,-0.1 -0.116 102.2 -46.8 63.4-152.2 28.2 2.8 55.3 27 27 A b T 4 S+ 0 0 9 9,-0.1 7,-0.8 96,-0.1 -1,-0.2 0.627 132.5 30.2 -88.3 -17.0 29.7 6.3 55.6 28 28 A Y T 4 S+ 0 0 21 -3,-0.5 2,-1.0 5,-0.2 -2,-0.2 0.721 85.9 95.3-120.0 -26.0 29.3 7.0 59.4 29 29 A c B < S+A 25 0A 7 -4,-1.5 -4,-1.7 -6,-0.1 -5,-1.0 -0.660 88.2 25.9 -82.3 101.0 29.4 3.8 61.5 30 30 A G S S- 0 0 23 -2,-1.0 -7,-0.0 2,-0.3 -3,-0.0 -0.772 117.4 -14.5 129.1 175.3 32.9 3.6 62.5 31 31 A L S S- 0 0 185 -2,-0.3 -7,-0.0 2,-0.0 -2,-0.0 -0.180 118.1 -18.2 -49.4 132.7 35.7 6.1 63.1 32 32 A G - 0 0 49 1,-0.1 -2,-0.3 17,-0.0 2,-0.1 -0.149 67.6-152.9 54.7-150.2 34.7 9.4 61.5 33 33 A G + 0 0 27 -4,-0.1 2,-0.3 16,-0.0 -5,-0.2 -0.313 17.6 166.9 143.4 136.0 32.0 9.7 59.0 34 34 A S + 0 0 85 -7,-0.8 2,-0.0 -2,-0.1 12,-0.0 -0.926 40.2 41.8-156.7 165.9 31.5 12.1 56.3 35 35 A G S S- 0 0 25 -2,-0.3 3,-0.0 88,-0.1 -8,-0.0 -0.281 99.4 -32.8 84.7-170.0 29.3 12.4 53.2 36 36 A T - 0 0 99 87,-2.1 -9,-0.1 1,-0.1 -2,-0.1 -0.780 68.5-110.0 -90.9 132.8 25.6 11.5 52.8 37 37 A P - 0 0 14 0, 0.0 3,-0.1 0, 0.0 -11,-0.1 -0.290 22.2-141.8 -55.1 139.9 24.4 8.5 54.9 38 38 A V S S- 0 0 54 1,-0.1 2,-0.3 77,-0.1 -12,-0.1 0.739 72.4 -14.2 -81.3 -23.2 23.7 5.6 52.6 39 39 A D S > S- 0 0 24 76,-0.0 4,-2.2 1,-0.0 -1,-0.1 -0.934 85.7 -76.1-163.9-176.5 20.6 4.4 54.5 40 40 A D H > S+ 0 0 99 -2,-0.3 4,-2.0 2,-0.2 5,-0.1 0.818 125.5 55.6 -71.1 -31.0 18.8 4.7 57.8 41 41 A L H > S+ 0 0 1 69,-0.3 4,-2.3 2,-0.2 3,-0.4 0.973 110.3 46.8 -60.5 -44.1 21.3 2.6 59.7 42 42 A D H > S+ 0 0 0 1,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.887 108.5 55.3 -65.3 -37.4 24.0 4.9 58.5 43 43 A R H X S+ 0 0 116 -4,-2.2 4,-2.2 2,-0.2 -1,-0.3 0.872 103.6 54.7 -65.9 -33.1 21.8 7.8 59.5 44 44 A d H X S+ 0 0 2 -4,-2.0 4,-2.3 -3,-0.4 -2,-0.2 0.944 110.0 48.0 -61.9 -45.7 21.6 6.4 63.1 45 45 A c H X S+ 0 0 6 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.872 108.4 53.9 -57.9 -40.6 25.4 6.4 63.0 46 46 A Q H X S+ 0 0 36 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.924 109.8 46.6 -58.3 -49.1 25.4 10.0 61.7 47 47 A T H X S+ 0 0 87 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.893 110.9 52.9 -60.4 -43.5 23.2 11.2 64.6 48 48 A H H X S+ 0 0 6 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.939 108.8 50.1 -58.8 -44.6 25.4 9.3 67.1 49 49 A D H X S+ 0 0 20 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.910 111.6 47.9 -58.7 -43.7 28.6 11.0 65.7 50 50 A N H X S+ 0 0 75 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.892 109.1 54.5 -64.6 -37.3 26.9 14.4 66.0 51 51 A e H X S+ 0 0 25 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.942 109.6 46.7 -59.5 -48.5 25.9 13.4 69.6 52 52 A Y H X S+ 0 0 9 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.919 109.7 53.0 -58.8 -45.1 29.5 12.7 70.4 53 53 A K H X S+ 0 0 97 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.898 109.0 51.1 -56.0 -41.1 30.6 15.9 68.8 54 54 A Q H >< S+ 0 0 112 -4,-2.2 3,-1.3 1,-0.2 4,-0.4 0.920 105.8 55.8 -60.4 -46.0 28.0 17.7 71.0 55 55 A A H >< S+ 0 0 2 -4,-2.4 3,-1.8 1,-0.3 6,-0.4 0.866 97.7 61.7 -59.6 -37.3 29.4 16.0 74.1 56 56 A K H 3< S+ 0 0 108 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.737 94.9 63.2 -65.8 -20.1 32.9 17.2 73.6 57 57 A K T << S+ 0 0 143 -3,-1.3 2,-0.5 -4,-0.6 -1,-0.3 0.659 81.6 98.6 -76.1 -17.6 31.6 20.8 73.9 58 58 A L S X> S- 0 0 49 -3,-1.8 4,-2.4 -4,-0.4 3,-0.6 -0.590 70.9-145.5 -72.0 124.7 30.6 20.1 77.5 59 59 A D H 3> S+ 0 0 116 -2,-0.5 4,-0.9 1,-0.2 -1,-0.2 0.806 103.2 64.8 -54.3 -29.1 33.2 21.3 79.9 60 60 A S H 34 S+ 0 0 46 2,-0.2 3,-0.5 1,-0.2 -1,-0.2 0.932 107.5 40.3 -57.9 -42.4 32.2 18.3 82.0 61 61 A f H X4 S+ 0 0 18 -3,-0.6 3,-0.9 -6,-0.4 -2,-0.2 0.878 106.9 61.9 -75.6 -33.6 33.6 16.1 79.1 62 62 A K H 3< S+ 0 0 109 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.742 87.2 74.9 -63.9 -18.6 36.6 18.3 78.5 63 63 A V T 3< S+ 0 0 114 -4,-0.9 -1,-0.3 -3,-0.5 2,-0.3 0.108 93.1 76.4 -76.6 25.2 37.7 17.5 82.1 64 64 A L S < S- 0 0 92 -3,-0.9 7,-0.1 2,-0.1 -3,-0.0 -0.859 70.1-140.1-143.1 168.8 38.7 14.0 80.8 65 65 A V + 0 0 136 -2,-0.3 -1,-0.1 5,-0.1 6,-0.1 0.695 56.7 117.0-100.8 -19.4 41.5 12.2 78.8 66 66 A D S S- 0 0 64 1,-0.1 -2,-0.1 4,-0.1 3,-0.0 0.270 73.0-110.7 -72.1 166.5 39.8 9.8 76.6 67 67 A N > - 0 0 86 1,-0.1 3,-1.7 2,-0.0 4,-0.2 -0.795 61.4-102.9 -70.2 138.3 39.1 8.8 73.0 68 68 A P G > S+ 0 0 48 0, 0.0 3,-1.5 0, 0.0 2,-0.3 0.836 123.2 63.8 -43.1 -36.9 35.3 9.8 73.1 69 69 A Y G 3 S+ 0 0 51 1,-0.3 -67,-2.6 -68,-0.2 -66,-0.4 0.152 91.8 63.6 -74.7 24.8 34.6 6.0 73.3 70 70 A T G < + 0 0 60 -3,-1.7 2,-1.8 -2,-0.3 -1,-0.3 0.180 62.6 114.7-129.9 16.6 36.3 5.7 76.7 71 71 A N < - 0 0 11 -3,-1.5 2,-0.4 -4,-0.2 24,-0.0 -0.604 61.5-155.9 -83.5 77.5 34.0 7.9 78.8 72 72 A N + 0 0 85 -2,-1.8 2,-0.2 -68,-0.0 20,-0.1 -0.464 22.0 165.6 -67.7 124.4 32.8 5.0 80.8 73 73 A Y - 0 0 11 -2,-0.4 2,-0.4 19,-0.1 20,-0.1 -0.450 33.9-102.1-123.7-168.3 29.4 5.4 82.5 74 74 A S + 0 0 64 11,-0.2 11,-2.1 -2,-0.2 2,-0.3 -0.962 43.0 149.1-128.0 140.6 26.9 3.1 84.1 75 75 A Y E -C 84 0B 63 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.935 30.5-134.8-155.6 162.9 23.7 1.7 82.6 76 76 A S E -C 83 0B 59 7,-2.0 7,-1.9 -2,-0.3 2,-0.5 -0.939 2.6-148.9-120.7 150.6 21.7 -1.5 83.0 77 77 A a E +C 82 0B 59 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.982 27.8 168.5-107.2 123.0 20.1 -3.8 80.4 78 78 A S E > S-C 81 0B 70 3,-2.3 3,-2.2 -2,-0.5 -2,-0.1 -0.964 70.1 -14.4-137.3 122.4 17.0 -5.3 82.0 79 79 A N T 3 S- 0 0 154 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.918 128.5 -56.0 53.1 44.4 14.5 -7.2 79.8 80 80 A N T 3 S+ 0 0 87 1,-0.2 2,-0.4 -67,-0.0 -1,-0.3 0.658 113.7 119.2 61.0 19.6 16.1 -5.7 76.8 81 81 A E E < -C 78 0B 76 -3,-2.2 -3,-2.3 2,-0.0 2,-0.4 -0.931 56.1-136.5-114.2 143.1 15.7 -2.1 78.0 82 82 A I E -C 77 0B 2 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.809 16.9-174.0 -95.8 131.5 18.5 0.4 78.7 83 83 A T E -C 76 0B 79 -7,-1.9 -7,-2.0 -2,-0.4 2,-0.3 -0.996 16.0-145.8-123.5 120.2 18.5 2.6 81.7 84 84 A g E -C 75 0B 42 -2,-0.4 -9,-0.2 -9,-0.2 2,-0.2 -0.679 32.4-112.7 -78.7 140.8 21.3 5.2 82.0 85 85 A S > - 0 0 39 -11,-2.1 3,-2.0 -2,-0.3 -11,-0.2 -0.522 4.1-138.5 -88.3 145.8 22.2 5.6 85.6 86 86 A S T 3 S+ 0 0 115 1,-0.3 -1,-0.1 -2,-0.2 7,-0.1 0.713 102.2 74.5 -70.9 -14.6 21.6 8.6 87.9 87 87 A E T 3 S+ 0 0 149 -13,-0.0 -1,-0.3 6,-0.0 2,-0.3 0.614 74.4 101.7 -68.1 -10.6 25.1 7.8 89.1 88 88 A N S < S- 0 0 13 -3,-2.0 -15,-0.1 -14,-0.2 2,-0.0 -0.585 70.6-134.9 -75.9 137.1 26.6 9.2 85.9 89 89 A N > - 0 0 117 -2,-0.3 4,-2.4 -29,-0.0 5,-0.3 -0.182 42.9 -78.7 -75.7-176.4 28.0 12.7 86.1 90 90 A A H > S+ 0 0 61 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.893 127.4 43.3 -59.9 -50.0 27.2 15.2 83.3 91 91 A f H > S+ 0 0 5 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.954 117.8 45.5 -57.6 -54.0 29.6 14.0 80.6 92 92 A E H > S+ 0 0 43 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.817 112.0 51.9 -58.3 -39.2 28.9 10.3 81.1 93 93 A A H X S+ 0 0 40 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.883 110.3 49.1 -70.6 -35.9 25.1 10.8 81.3 94 94 A F H X S+ 0 0 60 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.949 115.0 43.4 -67.1 -49.7 25.3 12.8 78.0 95 95 A I H X S+ 0 0 4 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.882 110.0 57.5 -60.8 -39.0 27.3 10.0 76.4 96 96 A g H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.927 109.0 46.2 -56.7 -43.4 25.0 7.4 78.0 97 97 A N H X S+ 0 0 76 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.908 110.8 51.6 -66.8 -44.1 22.1 9.1 76.3 98 98 A e H X S+ 0 0 2 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.920 114.8 44.0 -54.1 -49.1 23.9 9.3 72.9 99 99 A N H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.894 111.9 50.7 -68.6 -43.3 24.7 5.6 73.1 100 100 A R H X S+ 0 0 70 -4,-2.7 4,-2.2 -5,-0.2 5,-0.2 0.955 111.4 50.6 -59.0 -46.9 21.2 4.5 74.3 101 101 A N H X S+ 0 0 77 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.914 111.8 45.2 -59.7 -42.1 19.6 6.5 71.4 102 102 A A H X S+ 0 0 4 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.929 110.4 54.3 -71.6 -38.3 21.9 4.9 68.8 103 103 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.924 112.4 44.3 -61.3 -39.9 21.4 1.4 70.2 104 104 A I H X S+ 0 0 41 -4,-2.2 4,-0.9 -5,-0.2 -1,-0.2 0.927 112.6 51.7 -69.3 -41.9 17.6 1.8 69.9 105 105 A d H >X S+ 0 0 44 -4,-2.5 3,-1.7 -5,-0.2 4,-1.1 0.966 108.6 51.7 -60.9 -47.8 17.9 3.4 66.4 106 106 A F H >< S+ 0 0 9 -4,-3.0 3,-0.5 1,-0.3 -1,-0.2 0.864 107.6 52.6 -53.6 -41.3 20.0 0.5 65.2 107 107 A S H 3< S+ 0 0 40 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.647 112.1 46.4 -71.8 -15.9 17.4 -2.0 66.5 108 108 A K H << S+ 0 0 161 -3,-1.7 -1,-0.2 -4,-0.9 -2,-0.2 0.555 100.6 74.6-104.7 -8.7 14.6 -0.2 64.6 109 109 A V S << S- 0 0 33 -4,-1.1 2,-0.1 -3,-0.5 -70,-0.0 -0.689 87.0 -97.0-107.0 158.8 16.2 0.3 61.2 110 110 A P - 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