==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CARBOXYLIC ESTER HYDROLASE 17-JAN-92 2BPP . COMPND 2 MOLECULE: PHOSPHOLIPASE A2; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.SUNDARALINGAM . 123 1 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7042.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 83 67.5 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 . 6 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 39.0 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 0 1 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,-3.2 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 121.3 32.4 4.1 75.9 2 2 A L H > + 0 0 45 67,-2.2 4,-2.6 2,-0.2 5,-0.3 0.951 360.0 46.8 -60.8 -45.1 33.2 1.3 73.4 3 3 A W H > S+ 0 0 160 66,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.892 117.3 43.9 -66.3 -37.3 32.8 -1.6 75.8 4 4 A Q H > S+ 0 0 25 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.909 111.4 53.1 -76.4 -38.7 29.5 -0.2 77.1 5 5 A F H X S+ 0 0 13 -4,-3.2 4,-2.5 2,-0.2 5,-0.3 0.952 108.3 51.3 -60.4 -45.2 28.2 0.7 73.6 6 6 A N H X S+ 0 0 26 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.936 111.8 48.0 -52.0 -44.1 28.9 -2.8 72.4 7 7 A G H X S+ 0 0 17 -4,-1.5 4,-2.3 -5,-0.3 -2,-0.2 0.918 107.9 54.9 -66.6 -41.3 26.9 -4.0 75.4 8 8 A M H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.926 108.3 47.4 -57.5 -47.0 24.1 -1.6 74.8 9 9 A I H X S+ 0 0 6 -4,-2.5 4,-3.4 1,-0.2 -1,-0.2 0.933 111.3 51.6 -66.2 -41.5 23.6 -2.9 71.2 10 10 A K H < S+ 0 0 67 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.869 104.6 57.8 -58.6 -36.4 23.7 -6.5 72.5 11 11 A a H < S+ 0 0 5 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.927 117.8 32.9 -57.0 -43.8 21.0 -5.5 75.0 12 12 A K H < S+ 0 0 44 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.814 132.9 30.2 -82.0 -31.8 18.8 -4.4 72.1 13 13 A I >< - 0 0 30 -4,-3.4 3,-1.9 -5,-0.2 -1,-0.3 -0.760 69.2-179.4-131.7 79.3 19.9 -7.0 69.5 14 14 A P T 3 S+ 0 0 90 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.634 77.2 60.4 -60.7 -17.9 20.9 -10.2 71.5 15 15 A S T 3 S+ 0 0 116 2,-0.0 2,-0.3 -5,-0.0 -5,-0.1 0.435 93.2 91.7 -89.3 -1.9 22.0 -12.2 68.4 16 16 A S < - 0 0 6 -3,-1.9 3,-0.1 -7,-0.1 -3,-0.1 -0.641 60.9-154.5 -99.2 150.0 24.6 -9.7 67.4 17 17 A E >> - 0 0 96 -2,-0.3 4,-2.6 1,-0.1 3,-2.2 -0.896 26.7-166.7-104.7 92.3 28.3 -9.1 67.9 18 18 A P H 3> S+ 0 0 5 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.805 79.7 62.3 -57.2 -35.6 28.0 -5.3 67.3 19 19 A L H 34 S+ 0 0 68 2,-0.2 -13,-0.0 1,-0.2 -3,-0.0 0.653 118.7 29.4 -63.7 -18.0 31.8 -4.7 66.9 20 20 A L H X4 S+ 0 0 116 -3,-2.2 3,-0.5 2,-0.1 -1,-0.2 0.786 124.4 43.7-102.0 -54.9 31.7 -7.0 63.9 21 21 A D H 3< S+ 0 0 65 -4,-2.6 -2,-0.2 1,-0.2 -5,-0.0 0.837 125.0 30.9 -65.6 -35.7 28.2 -6.6 62.5 22 22 A F T 3< S+ 0 0 19 -4,-2.5 3,-0.5 -5,-0.3 2,-0.4 0.366 93.3 103.6-111.0 2.9 28.0 -2.8 62.8 23 23 A N S < S+ 0 0 78 -3,-0.5 94,-0.3 -5,-0.3 7,-0.2 -0.711 90.2 7.1 -93.3 143.5 31.5 -1.8 62.3 24 24 A N S S+ 0 0 65 5,-0.9 93,-2.5 -2,-0.4 2,-0.4 0.975 87.5 146.7 49.7 66.7 32.4 -0.4 58.9 25 25 A Y B > -AB 29 116A 0 4,-1.8 4,-1.5 -3,-0.5 3,-0.4 -0.994 59.7 -28.7-126.2 133.2 28.9 -0.2 57.6 26 26 A G T 4 S- 0 0 1 89,-2.8 92,-0.2 -2,-0.4 97,-0.1 -0.064 103.1 -50.9 61.7-156.6 27.9 2.6 55.2 27 27 A b T 4 S+ 0 0 7 9,-0.1 7,-0.7 1,-0.1 -1,-0.2 0.664 134.0 29.7 -90.3 -16.0 29.7 6.0 55.4 28 28 A Y T 4 S+ 0 0 22 -3,-0.4 2,-1.2 5,-0.2 -2,-0.2 0.683 85.6 95.0-122.7 -25.8 29.3 6.6 59.2 29 29 A c B < S+A 25 0A 8 -4,-1.5 -4,-1.8 -6,-0.1 -5,-0.9 -0.613 90.7 22.0 -76.6 94.6 29.2 3.4 61.2 30 30 A G S S- 0 0 19 -2,-1.2 -7,-0.1 2,-0.3 -3,-0.0 -0.821 117.9 -7.2 133.8-179.8 32.9 3.1 62.2 31 31 A L S S- 0 0 177 -2,-0.3 -2,-0.0 2,-0.0 2,-0.0 -0.238 117.2 -28.2 -51.8 122.3 35.8 5.4 62.5 32 32 A G - 0 0 49 1,-0.1 -2,-0.3 17,-0.0 2,-0.1 -0.246 66.4-144.6 63.1-149.5 34.7 8.7 61.1 33 33 A G + 0 0 35 -4,-0.1 2,-0.3 16,-0.0 -5,-0.2 -0.174 18.6 171.7 143.6 129.6 32.1 9.3 58.5 34 34 A S + 0 0 80 -7,-0.7 2,-0.0 -2,-0.1 12,-0.0 -0.820 44.4 35.3-146.0 165.3 31.7 11.7 55.7 35 35 A G S S- 0 0 32 -2,-0.3 88,-0.1 88,-0.1 87,-0.0 -0.249 99.3 -31.7 85.8-165.6 29.2 12.0 52.8 36 36 A T - 0 0 104 87,-0.5 -9,-0.1 86,-0.2 -2,-0.1 -0.839 68.2-106.7 -96.2 130.5 25.6 11.2 52.6 37 37 A P - 0 0 13 0, 0.0 3,-0.1 0, 0.0 -11,-0.1 -0.240 23.3-143.8 -49.7 137.4 24.3 8.3 54.8 38 38 A V S S- 0 0 50 1,-0.1 2,-0.3 77,-0.1 -12,-0.1 0.794 72.1 -14.2 -83.7 -25.9 23.5 5.4 52.5 39 39 A D S > S- 0 0 25 76,-0.1 4,-2.1 1,-0.0 5,-0.1 -0.890 84.8 -76.5-156.8-171.6 20.5 4.2 54.5 40 40 A D H > S+ 0 0 97 -2,-0.3 4,-2.1 2,-0.2 5,-0.1 0.851 125.4 54.4 -68.6 -36.4 18.7 4.6 57.8 41 41 A L H > S+ 0 0 2 69,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.953 110.8 46.3 -56.6 -51.8 21.2 2.4 59.7 42 42 A D H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.886 108.8 55.9 -59.4 -36.2 24.0 4.6 58.4 43 43 A R H X S+ 0 0 110 -4,-2.1 4,-2.7 2,-0.3 -1,-0.2 0.902 102.5 55.4 -64.7 -36.3 21.9 7.6 59.4 44 44 A d H X S+ 0 0 2 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.944 109.3 49.4 -57.9 -42.1 21.7 6.2 63.0 45 45 A c H X S+ 0 0 5 -4,-2.0 4,-2.3 2,-0.2 -2,-0.3 0.902 108.1 51.0 -63.1 -41.7 25.5 6.2 62.8 46 46 A Q H X S+ 0 0 37 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.937 110.2 49.8 -62.5 -42.9 25.6 9.8 61.5 47 47 A T H X S+ 0 0 90 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.943 111.9 48.9 -61.8 -41.0 23.3 11.0 64.4 48 48 A H H X S+ 0 0 8 -4,-2.5 4,-2.4 1,-0.3 -1,-0.2 0.907 109.2 51.7 -68.8 -36.6 25.6 9.2 66.9 49 49 A D H X S+ 0 0 28 -4,-2.3 4,-1.7 1,-0.2 -1,-0.3 0.837 111.9 47.4 -66.2 -33.8 28.7 10.7 65.4 50 50 A N H X S+ 0 0 77 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.881 107.0 56.6 -75.7 -30.9 27.1 14.1 65.7 51 51 A e H X S+ 0 0 27 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.920 109.2 47.1 -64.5 -41.3 26.1 13.3 69.4 52 52 A Y H X S+ 0 0 18 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.878 109.8 52.4 -64.5 -40.1 29.8 12.7 70.1 53 53 A K H X S+ 0 0 91 -4,-1.7 4,-0.8 2,-0.2 -2,-0.2 0.926 112.2 45.6 -58.9 -47.8 30.8 15.9 68.3 54 54 A Q H >X S+ 0 0 93 -4,-2.6 3,-1.1 2,-0.2 4,-0.8 0.915 109.8 54.9 -61.7 -43.1 28.3 17.8 70.5 55 55 A A H >< S+ 0 0 2 -4,-2.6 3,-1.0 1,-0.3 6,-0.3 0.896 104.6 56.9 -56.6 -40.6 29.5 15.9 73.6 56 56 A K H 3< S+ 0 0 138 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.713 101.8 52.9 -62.5 -27.4 33.0 17.1 72.7 57 57 A K H << S+ 0 0 136 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.692 87.0 111.0 -83.4 -17.1 32.1 20.8 72.8 58 58 A L S XX S- 0 0 43 -3,-1.0 3,-1.2 -4,-0.8 4,-0.8 -0.307 71.3-132.2 -65.1 135.0 30.5 20.5 76.3 59 59 A D G >4 S+ 0 0 134 1,-0.3 3,-0.6 2,-0.2 -1,-0.1 0.812 106.0 53.8 -49.5 -41.3 32.3 22.2 79.2 60 60 A S G >> S+ 0 0 50 1,-0.2 3,-1.1 2,-0.1 4,-0.5 0.799 104.5 56.6 -63.0 -31.6 32.1 19.1 81.4 61 61 A f G <4 S+ 0 0 21 -3,-1.2 -1,-0.2 -6,-0.3 -2,-0.2 0.642 81.3 85.6 -79.5 -18.7 33.8 16.9 78.7 62 62 A K G << S+ 0 0 126 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.1 0.486 91.1 48.5 -62.8 -5.1 36.8 19.0 78.4 63 63 A V T <4 S+ 0 0 97 -3,-1.1 2,-1.0 1,-0.1 -1,-0.2 0.866 83.0 80.9 -98.5 -55.9 38.4 17.1 81.4 64 64 A L < - 0 0 69 -4,-0.5 2,-1.9 1,-0.2 -1,-0.1 -0.355 63.3-160.1 -68.9 100.3 38.2 13.4 81.0 65 65 A V + 0 0 146 -2,-1.0 2,-0.5 -3,-0.1 -1,-0.2 -0.140 61.3 102.1 -82.7 48.6 41.0 12.8 78.6 66 66 A D S S- 0 0 51 -2,-1.9 5,-0.1 6,-0.0 -3,-0.0 -0.999 82.2-119.9-133.8 105.1 39.7 9.5 77.5 67 67 A N >> - 0 0 98 -2,-0.5 3,-3.3 1,-0.1 4,-1.6 -0.150 40.7 -90.8 -45.9 156.3 38.1 10.1 74.1 68 68 A P T 34 S+ 0 0 21 0, 0.0 -1,-0.1 0, 0.0 -66,-0.0 0.754 127.3 65.3 -55.0 -20.8 34.4 9.1 74.2 69 69 A Y T 34 S+ 0 0 73 -68,-0.2 -67,-2.2 1,-0.2 -66,-0.4 0.641 114.3 26.5 -71.6 -16.3 35.5 5.6 73.1 70 70 A T T <4 S+ 0 0 68 -3,-3.3 2,-0.9 -69,-0.2 -1,-0.2 0.436 91.3 108.5-121.6 -3.0 37.4 4.8 76.4 71 71 A N < - 0 0 5 -4,-1.6 2,-0.1 -5,-0.1 -7,-0.0 -0.596 65.9-146.4 -69.3 103.5 35.5 7.2 78.7 72 72 A N + 0 0 83 -2,-0.9 2,-0.3 -71,-0.1 20,-0.1 -0.456 23.0 174.9 -87.0 145.1 33.6 4.6 80.8 73 73 A Y - 0 0 11 -2,-0.1 2,-0.4 15,-0.1 20,-0.1 -0.823 29.2-105.7-130.6-176.8 30.1 5.2 82.2 74 74 A S + 0 0 63 -2,-0.3 11,-2.2 11,-0.2 2,-0.3 -0.901 43.7 147.7-119.2 138.5 27.6 3.1 84.1 75 75 A Y E -C 84 0B 64 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.961 31.5-128.3-155.0 167.9 24.4 1.7 82.7 76 76 A S E -C 83 0B 60 7,-2.6 7,-2.4 -2,-0.3 2,-0.4 -0.900 5.0-161.8-120.5 151.5 22.1 -1.3 83.0 77 77 A a E +C 82 0B 55 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.994 28.5 152.5-120.9 123.3 20.6 -3.8 80.6 78 78 A S E > S-C 81 0B 77 3,-1.8 3,-2.0 -2,-0.4 -2,-0.1 -0.917 70.4 -0.6-151.3 136.2 17.6 -5.6 82.0 79 79 A N T 3 S- 0 0 161 -2,-0.3 3,-0.1 1,-0.3 -68,-0.0 0.794 129.3 -63.4 58.6 30.3 14.7 -7.1 80.1 80 80 A N T 3 S+ 0 0 85 1,-0.2 2,-0.4 -67,-0.0 -1,-0.3 0.715 110.8 114.1 63.8 24.7 16.4 -5.8 77.0 81 81 A E E < -C 78 0B 66 -3,-2.0 -3,-1.8 2,-0.0 2,-0.4 -0.939 59.0-134.5-121.5 151.4 16.2 -2.1 77.9 82 82 A I E -C 77 0B 1 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.847 16.4-170.3-103.4 133.7 19.1 0.2 78.7 83 83 A T E -C 76 0B 83 -7,-2.4 -7,-2.6 -2,-0.4 2,-0.2 -0.995 15.9-142.9-124.6 125.4 19.1 2.6 81.6 84 84 A g E -C 75 0B 36 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.642 32.2-116.7 -79.1 142.2 21.9 5.2 82.0 85 85 A S > - 0 0 43 -11,-2.2 3,-1.9 -2,-0.2 -11,-0.2 -0.596 1.0-134.8 -87.7 142.9 22.8 5.5 85.7 86 86 A S T 3 S+ 0 0 119 -2,-0.3 -1,-0.1 1,-0.3 7,-0.1 0.714 102.1 76.8 -60.8 -13.5 22.3 8.7 87.9 87 87 A E T 3 S+ 0 0 154 -13,-0.1 -1,-0.3 6,-0.0 2,-0.1 0.735 72.8 105.7 -67.4 -19.0 25.8 7.9 89.1 88 88 A N S < S- 0 0 16 -3,-1.9 -15,-0.1 -14,-0.2 2,-0.0 -0.437 72.7-125.1 -67.8 133.6 27.3 9.3 85.8 89 89 A N > - 0 0 57 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.222 42.9 -91.7 -56.8 163.6 29.1 12.8 85.8 90 90 A A H > S+ 0 0 61 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.884 127.8 46.7 -57.1 -43.7 27.6 15.2 83.3 91 91 A f H > S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 3,-0.3 0.976 114.8 46.7 -60.1 -57.6 30.1 14.1 80.5 92 92 A E H > S+ 0 0 39 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.797 112.6 50.5 -46.8 -43.0 29.5 10.4 81.1 93 93 A A H X S+ 0 0 39 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.893 109.2 50.6 -69.5 -38.4 25.7 10.8 81.2 94 94 A F H X S+ 0 0 69 -4,-2.1 4,-2.1 -3,-0.3 -2,-0.2 0.948 114.6 44.0 -66.5 -46.2 25.7 12.8 77.9 95 95 A I H X S+ 0 0 3 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.904 109.6 55.6 -64.6 -40.8 27.8 10.0 76.2 96 96 A g H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.885 109.3 49.0 -56.8 -39.7 25.6 7.2 77.8 97 97 A N H X S+ 0 0 74 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.898 107.7 51.6 -70.5 -42.0 22.6 8.9 76.3 98 98 A e H X S+ 0 0 2 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.950 114.2 46.4 -53.0 -47.1 24.2 9.2 72.8 99 99 A D H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.903 110.9 50.7 -65.0 -42.9 25.0 5.5 73.0 100 100 A R H X S+ 0 0 68 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.926 111.0 48.0 -63.7 -43.6 21.6 4.5 74.2 101 101 A N H X S+ 0 0 85 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.914 112.8 49.4 -66.5 -36.4 19.8 6.4 71.4 102 102 A A H X S+ 0 0 4 -4,-2.0 4,-3.0 -5,-0.2 5,-0.2 0.953 110.1 50.2 -70.1 -45.1 22.1 4.8 68.8 103 103 A A H X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.899 113.1 46.3 -58.8 -41.6 21.6 1.3 70.1 104 104 A I H X S+ 0 0 37 -4,-2.2 4,-0.6 -5,-0.2 3,-0.5 0.952 112.2 51.0 -65.5 -45.9 17.8 1.8 70.1 105 105 A d H >X S+ 0 0 45 -4,-2.9 3,-2.3 1,-0.2 4,-0.5 0.960 107.2 54.3 -56.2 -52.3 18.1 3.4 66.5 106 106 A F H >< S+ 0 0 13 -4,-3.0 3,-0.7 1,-0.3 -1,-0.2 0.821 106.5 52.1 -50.6 -37.1 20.1 0.3 65.2 107 107 A S H 3< S+ 0 0 43 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.588 109.6 49.2 -76.6 -12.0 17.4 -2.1 66.5 108 108 A K H << S+ 0 0 163 -3,-2.3 -1,-0.2 -4,-0.6 -2,-0.2 0.378 100.9 72.3-108.4 2.8 14.6 -0.3 64.7 109 109 A V S << S- 0 0 35 -3,-0.7 2,-0.1 -4,-0.5 0, 0.0 -0.809 86.3 -94.3-122.2 156.3 16.1 0.0 61.2 110 110 A P - 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