==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-AUG-97 1IRB . 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) . 7192.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 81 65.9 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 . 18 14.6 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 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 1 0, 0.0 4,-1.9 0, 0.0 3,-1.1 0.000 360.0 360.0 360.0 170.1 33.4 3.8 76.9 2 2 A L H 3> + 0 0 49 67,-2.7 4,-2.8 1,-0.3 5,-0.1 0.847 360.0 53.9 -54.5 -35.6 33.5 1.4 73.9 3 3 A W H 3> S+ 0 0 172 66,-0.3 4,-1.2 1,-0.2 -1,-0.3 0.798 106.2 50.4 -79.8 -30.8 32.9 -1.6 76.1 4 4 A Q H <> S+ 0 0 27 -3,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.877 112.5 49.1 -71.4 -33.6 29.7 -0.0 77.7 5 5 A F H X S+ 0 0 25 -4,-1.9 4,-2.2 2,-0.2 5,-0.3 0.936 105.2 56.5 -71.1 -45.5 28.4 0.7 74.2 6 6 A N H X S+ 0 0 29 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.931 111.8 43.9 -46.1 -45.8 29.0 -2.8 72.9 7 7 A G H X S+ 0 0 19 -4,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.815 108.1 57.2 -77.0 -31.9 26.9 -4.2 75.8 8 8 A M H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.916 109.0 46.3 -62.2 -43.5 24.1 -1.6 75.4 9 9 A I H X S+ 0 0 7 -4,-2.2 4,-3.2 1,-0.2 -2,-0.2 0.921 114.0 47.6 -70.9 -40.7 23.6 -2.7 71.8 10 10 A K H < S+ 0 0 67 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.796 104.9 61.8 -67.8 -21.7 23.7 -6.4 72.8 11 11 A a H < S+ 0 0 5 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.971 117.6 29.7 -60.1 -46.2 21.2 -5.4 75.6 12 12 A K H < S+ 0 0 57 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.808 133.6 32.4 -79.4 -35.8 18.9 -4.4 72.7 13 13 A I >< + 0 0 31 -4,-3.2 3,-1.4 -5,-0.1 -1,-0.2 -0.786 69.3 178.6-125.1 87.1 20.1 -6.9 70.0 14 14 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.699 75.0 60.0 -66.6 -21.4 21.2 -10.1 72.0 15 15 A S T 3 S+ 0 0 116 2,-0.0 2,-0.2 -5,-0.0 -5,-0.1 0.568 93.9 94.0 -79.4 -6.9 22.1 -12.2 68.9 16 16 A S < - 0 0 7 -3,-1.4 3,-0.1 -7,-0.1 -3,-0.1 -0.546 61.9-153.1-100.6 150.9 24.7 -9.7 67.8 17 17 A E >> - 0 0 98 -2,-0.2 4,-2.8 1,-0.1 3,-2.5 -0.838 24.4-166.6-110.4 92.0 28.4 -9.1 68.2 18 18 A P H 3> S+ 0 0 3 0, 0.0 4,-2.0 0, 0.0 5,-0.3 0.728 80.3 58.1 -55.0 -34.6 28.2 -5.2 67.8 19 19 A L H 34 S+ 0 0 62 2,-0.2 -13,-0.0 3,-0.2 -3,-0.0 0.637 119.3 30.5 -74.3 -16.7 31.9 -4.7 67.3 20 20 A L H <4 S+ 0 0 121 -3,-2.5 3,-0.3 2,-0.1 -1,-0.2 0.747 124.5 43.9-102.0 -51.0 31.9 -7.0 64.3 21 21 A D H < S+ 0 0 64 -4,-2.8 -2,-0.2 1,-0.2 -5,-0.0 0.779 124.5 29.5 -69.4 -34.1 28.4 -6.5 63.0 22 22 A F S < S+ 0 0 21 -4,-2.0 3,-0.4 -5,-0.3 2,-0.3 0.409 95.3 102.5-108.9 -1.2 28.1 -2.7 63.2 23 23 A N S S+ 0 0 75 -5,-0.3 94,-0.3 -3,-0.3 7,-0.2 -0.692 88.6 12.8 -85.5 140.5 31.8 -1.8 62.8 24 24 A N S S+ 0 0 89 5,-0.7 93,-3.4 -2,-0.3 2,-0.4 0.978 88.2 145.4 59.7 63.8 32.6 -0.5 59.3 25 25 A Y B > -AB 29 116A 0 4,-2.1 4,-1.8 -3,-0.4 3,-0.5 -0.998 58.1 -34.2-132.5 131.3 29.2 0.0 58.0 26 26 A G T 4 S- 0 0 12 89,-2.8 92,-0.1 -2,-0.4 97,-0.1 -0.145 100.4 -49.7 57.3-153.7 28.2 2.8 55.7 27 27 A b T 4 S+ 0 0 13 9,-0.1 7,-0.9 95,-0.1 -1,-0.2 0.582 134.7 28.8 -88.4 -15.7 29.8 6.2 55.8 28 28 A Y T 4 S+ 0 0 24 -3,-0.5 2,-1.5 5,-0.2 -2,-0.2 0.637 85.0 95.4-122.4 -28.5 29.4 6.8 59.7 29 29 A c B < S+A 25 0A 8 -4,-1.8 -4,-2.1 -6,-0.1 -5,-0.7 -0.626 88.7 32.6 -77.5 97.2 29.4 3.5 61.6 30 30 A G S S- 0 0 27 -2,-1.5 -7,-0.0 2,-0.3 -3,-0.0 -0.860 113.9 -21.7 142.5 175.7 33.0 3.4 62.6 31 31 A L S S- 0 0 177 -2,-0.3 -2,-0.0 18,-0.0 18,-0.0 -0.330 116.3 -19.1 -52.9 134.1 35.7 5.8 63.3 32 32 A G S S- 0 0 54 1,-0.1 -2,-0.3 17,-0.0 2,-0.1 -0.255 72.3-155.4 62.0-150.5 35.0 9.2 61.9 33 33 A G + 0 0 36 -4,-0.1 2,-0.3 90,-0.1 -5,-0.2 -0.348 14.6 175.9 146.1 133.4 32.4 9.4 59.2 34 34 A S + 0 0 77 -7,-0.9 2,-0.2 -2,-0.1 12,-0.0 -0.944 42.9 42.9-149.3 165.8 31.8 11.9 56.3 35 35 A G S S- 0 0 28 -2,-0.3 88,-0.1 88,-0.2 87,-0.0 -0.489 98.1 -37.5 94.3-167.6 29.4 12.2 53.4 36 36 A T - 0 0 102 86,-0.3 -9,-0.1 -2,-0.2 -2,-0.1 -0.885 68.1-104.6 -94.7 132.6 25.6 11.4 53.3 37 37 A P - 0 0 9 0, 0.0 3,-0.1 0, 0.0 -11,-0.1 -0.244 23.8-143.3 -45.5 136.1 24.4 8.4 55.4 38 38 A V S S- 0 0 50 1,-0.1 2,-0.3 77,-0.1 -12,-0.1 0.633 73.3 -15.4 -81.8 -19.1 23.7 5.5 53.0 39 39 A D S > S- 0 0 24 1,-0.1 4,-1.9 76,-0.0 5,-0.1 -0.952 85.7 -72.6-160.5-171.4 20.6 4.4 55.0 40 40 A D H > S+ 0 0 97 -2,-0.3 4,-2.2 2,-0.2 5,-0.1 0.826 125.4 53.3 -66.0 -35.1 18.8 4.6 58.3 41 41 A L H > S+ 0 0 2 69,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.964 111.6 48.3 -66.0 -42.6 21.4 2.5 60.3 42 42 A D H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.859 108.0 52.9 -61.3 -38.8 24.0 4.9 58.9 43 43 A R H X S+ 0 0 116 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.903 104.9 56.7 -65.8 -36.6 21.9 7.9 60.0 44 44 A d H X S+ 0 0 4 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.939 109.6 46.4 -54.8 -46.4 21.8 6.4 63.5 45 45 A c H X S+ 0 0 6 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.841 109.7 52.1 -64.2 -38.7 25.6 6.4 63.4 46 46 A Q H X S+ 0 0 42 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.932 109.3 50.1 -64.4 -44.7 25.8 10.0 62.1 47 47 A T H X S+ 0 0 86 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.886 111.5 49.1 -62.1 -39.5 23.5 11.2 64.9 48 48 A H H X S+ 0 0 18 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.921 109.5 51.2 -69.4 -43.8 25.7 9.4 67.5 49 49 A D H X S+ 0 0 42 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.921 111.9 48.0 -58.5 -40.9 28.9 11.0 66.0 50 50 A N H X S+ 0 0 101 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.875 110.2 52.4 -65.2 -35.9 27.2 14.4 66.3 51 51 A e H X S+ 0 0 28 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.905 110.0 48.3 -62.9 -43.8 26.2 13.5 69.9 52 52 A Y H X S+ 0 0 32 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.809 111.9 49.0 -67.5 -31.7 29.8 12.7 70.7 53 53 A K H X S+ 0 0 114 -4,-1.7 4,-0.7 2,-0.2 -1,-0.2 0.842 110.3 51.0 -79.3 -29.4 31.0 15.9 69.1 54 54 A Q H >X S+ 0 0 98 -4,-1.9 3,-1.1 2,-0.2 4,-0.8 0.930 106.1 56.0 -67.4 -45.1 28.3 17.9 71.1 55 55 A A H >< S+ 0 0 2 -4,-2.5 3,-1.5 1,-0.3 6,-0.3 0.906 101.2 58.0 -51.8 -45.9 29.6 16.1 74.3 56 56 A K H 3< S+ 0 0 63 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.736 100.9 56.3 -63.0 -25.4 33.1 17.5 73.6 57 57 A K H << S+ 0 0 142 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.724 85.4 105.0 -77.4 -20.9 31.7 21.1 73.6 58 58 A L S XX S- 0 0 38 -3,-1.5 4,-0.7 -4,-0.8 3,-0.7 -0.375 71.6-139.3 -62.1 132.7 30.4 20.5 77.2 59 59 A D G >4 S+ 0 0 135 1,-0.2 3,-0.7 2,-0.2 4,-0.4 0.829 103.3 59.4 -60.9 -26.7 32.4 22.3 79.8 60 60 A S G >4 S+ 0 0 59 1,-0.2 3,-0.8 2,-0.2 4,-0.4 0.875 103.7 52.0 -64.9 -38.0 32.0 19.2 82.1 61 61 A f G <4 S+ 0 0 14 -3,-0.7 3,-0.4 -6,-0.3 -1,-0.2 0.619 87.4 82.5 -76.6 -12.7 33.7 17.2 79.4 62 62 A K G << S+ 0 0 110 -4,-0.7 -1,-0.2 -3,-0.7 -2,-0.2 0.840 90.8 51.3 -62.4 -32.5 36.7 19.6 79.2 63 63 A V S < S+ 0 0 126 -3,-0.8 2,-1.1 -4,-0.4 -1,-0.2 0.764 86.8 98.1 -76.2 -27.0 38.3 17.8 82.3 64 64 A L + 0 0 39 -4,-0.4 7,-0.1 -3,-0.4 -1,-0.1 -0.534 44.1 175.0 -74.4 102.2 37.9 14.4 80.7 65 65 A V + 0 0 135 -2,-1.1 2,-0.9 2,-0.1 -1,-0.2 0.751 66.8 79.4 -73.9 -29.8 41.2 13.6 79.2 66 66 A D S S- 0 0 56 -3,-0.1 -1,-0.1 4,-0.1 -2,-0.0 -0.748 86.5-139.5 -87.7 110.5 39.9 10.1 78.4 67 67 A N > - 0 0 75 -2,-0.9 3,-1.7 3,-0.1 4,-0.1 -0.604 34.7 -75.1 -95.7 150.3 37.9 10.8 75.3 68 68 A P G > S+ 0 0 15 0, 0.0 3,-0.7 0, 0.0 -2,-0.1 0.188 125.8 52.2 -52.6 -35.0 34.6 9.2 74.8 69 69 A Y G 3 S+ 0 0 152 1,-0.2 -67,-2.7 -68,-0.2 -66,-0.3 0.590 121.8 36.0 -67.9 -7.7 35.4 5.6 73.8 70 70 A T G < S+ 0 0 68 -3,-1.7 2,-1.0 -69,-0.2 -1,-0.2 0.431 90.5 104.2-111.2 -10.3 37.7 5.3 77.0 71 71 A N < - 0 0 8 -3,-0.7 2,-0.2 -4,-0.1 -4,-0.0 -0.628 67.2-147.1 -78.7 99.7 35.5 7.5 79.3 72 72 A N + 0 0 98 -2,-1.0 2,-0.3 -71,-0.1 20,-0.1 -0.525 23.9 170.2 -65.9 131.1 33.8 4.9 81.4 73 73 A Y - 0 0 12 -2,-0.2 2,-0.4 -72,-0.1 20,-0.0 -0.864 30.1-107.2-131.8-178.2 30.2 5.4 82.8 74 74 A S + 0 0 62 -2,-0.3 11,-2.0 11,-0.2 2,-0.3 -0.906 42.6 145.1-114.3 142.9 27.6 3.2 84.5 75 75 A Y E -C 84 0B 63 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.928 30.6-137.3-157.8 161.9 24.4 1.8 83.1 76 76 A S E -C 83 0B 65 7,-1.9 7,-1.9 -2,-0.3 2,-0.5 -0.974 3.1-148.3-127.4 156.0 22.5 -1.4 83.6 77 77 A a E +C 82 0B 60 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.989 27.4 162.8-116.8 122.3 20.7 -3.8 81.2 78 78 A S E > -C 81 0B 79 3,-2.4 3,-2.0 -2,-0.5 -2,-0.1 -0.980 69.3 -8.3-142.9 126.0 17.7 -5.4 82.6 79 79 A N T 3 S- 0 0 156 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.927 128.2 -59.6 49.8 44.6 14.9 -7.1 80.5 80 80 A N T 3 S+ 0 0 87 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.686 112.5 119.5 53.0 26.2 16.6 -5.7 77.4 81 81 A E E < -C 78 0B 79 -3,-2.0 -3,-2.4 2,-0.0 2,-0.4 -0.963 55.0-139.1-117.1 144.4 16.2 -2.1 78.6 82 82 A I E -C 77 0B 0 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.788 16.2-174.8-100.2 136.0 19.1 0.3 79.2 83 83 A T E -C 76 0B 79 -7,-1.9 -7,-1.9 -2,-0.4 2,-0.4 -0.991 19.7-140.3-134.3 121.4 19.2 2.7 82.1 84 84 A g E -C 75 0B 41 -2,-0.4 -9,-0.2 -9,-0.2 2,-0.2 -0.663 34.0-119.2 -78.7 126.5 22.0 5.3 82.6 85 85 A S > - 0 0 40 -11,-2.0 3,-1.5 -2,-0.4 -11,-0.2 -0.490 2.5-131.8 -72.4 149.8 22.8 5.5 86.2 86 86 A S T 3 S+ 0 0 111 1,-0.3 -1,-0.1 -2,-0.2 7,-0.1 0.719 102.1 72.8 -74.3 -14.9 22.4 8.6 88.5 87 87 A E T 3 S+ 0 0 159 2,-0.0 2,-0.3 6,-0.0 -1,-0.3 0.564 74.0 109.7 -74.5 -5.0 25.9 8.1 89.8 88 88 A N S < S- 0 0 17 -3,-1.5 2,-0.1 -14,-0.1 -15,-0.1 -0.563 72.4-130.5 -69.8 132.0 27.2 9.3 86.4 89 89 A N > - 0 0 118 -2,-0.3 4,-2.3 1,-0.1 5,-0.3 -0.389 38.9 -88.3 -73.7 168.9 28.8 12.7 86.7 90 90 A A H > S+ 0 0 63 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.828 125.1 46.8 -55.2 -41.6 27.4 15.2 84.0 91 91 A f H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 3,-0.3 0.964 116.1 44.0 -64.6 -50.4 29.9 14.3 81.2 92 92 A E H > S+ 0 0 31 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.830 111.6 54.7 -62.7 -33.1 29.5 10.6 81.6 93 93 A A H X S+ 0 0 38 -4,-2.3 4,-1.6 2,-0.2 -1,-0.3 0.871 107.0 51.0 -71.0 -33.5 25.8 11.0 81.8 94 94 A F H X S+ 0 0 58 -4,-2.0 4,-1.9 -3,-0.3 -2,-0.2 0.953 113.0 44.4 -70.3 -46.8 25.8 12.9 78.5 95 95 A I H X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.918 109.4 57.3 -61.7 -39.4 27.8 10.2 76.7 96 96 A g H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.915 108.2 47.0 -58.5 -38.7 25.7 7.4 78.3 97 97 A N H X S+ 0 0 72 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.887 108.2 54.5 -71.9 -39.0 22.6 9.0 76.8 98 98 A e H X S+ 0 0 2 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.941 113.8 44.0 -55.4 -50.3 24.3 9.4 73.4 99 99 A D H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.882 109.9 54.2 -64.5 -41.3 25.0 5.6 73.6 100 100 A R H X S+ 0 0 60 -4,-2.9 4,-1.9 -5,-0.2 5,-0.2 0.957 111.1 47.0 -54.9 -51.3 21.5 4.7 74.8 101 101 A N H X S+ 0 0 84 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.863 110.8 49.7 -62.0 -40.8 19.9 6.5 71.9 102 102 A A H X S+ 0 0 5 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.919 110.7 50.7 -70.6 -37.5 22.2 5.0 69.2 103 103 A A H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.889 112.3 45.5 -66.7 -37.4 21.6 1.4 70.5 104 104 A I H X S+ 0 0 38 -4,-1.9 4,-0.5 -5,-0.2 3,-0.3 0.920 113.1 51.3 -71.2 -42.8 17.8 1.8 70.5 105 105 A d H >X S+ 0 0 46 -4,-2.4 3,-2.4 1,-0.2 4,-0.8 0.971 107.1 53.5 -56.9 -49.7 18.1 3.4 67.0 106 106 A F H 3< S+ 0 0 12 -4,-2.9 3,-0.5 1,-0.3 -1,-0.2 0.825 106.3 53.8 -58.2 -30.8 20.2 0.5 65.8 107 107 A S H 3< S+ 0 0 42 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.593 108.4 49.6 -81.7 -7.0 17.5 -1.9 67.0 108 108 A K H << S+ 0 0 156 -3,-2.4 -1,-0.2 -4,-0.5 -2,-0.2 0.512 100.1 69.9-107.4 -5.3 14.7 -0.1 65.0 109 109 A V S < S- 0 0 37 -4,-0.8 2,-0.1 -3,-0.5 -70,-0.0 -0.738 85.2 -95.6-112.2 159.1 16.3 0.1 61.6 110 110 A P - 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