==== 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 CARBOXYLIC ESTER HYDROLASE 22-OCT-91 4P2P . COMPND 2 MOLECULE: PHOSPHOLIPASE A2; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR B.C.FINZEL,D.H.OHLENDORF,P.C.WEBER,F.R.SALEMME . 124 1 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7483.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 83 66.9 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 . 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 . 8 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 14.5 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 . 1 0.8 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 5 0, 0.0 3,-1.9 0, 0.0 4,-1.1 0.000 360.0 360.0 360.0 152.3 45.1 26.5 10.8 2 2 A L H >> + 0 0 72 67,-2.3 4,-1.6 1,-0.3 3,-0.6 0.807 360.0 56.3 -48.2 -45.1 41.5 25.5 10.8 3 3 A W H 3> S+ 0 0 158 66,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.688 107.7 50.7 -64.4 -25.4 40.3 28.6 12.7 4 4 A Q H <> S+ 0 0 13 -3,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.650 103.9 58.0 -82.2 -27.6 41.9 30.7 10.0 5 5 A F H < - 0 0 42 -4,-4.4 3,-2.2 1,-0.2 -1,-0.3 -0.770 69.8-176.6-128.9 79.3 31.3 34.8 1.5 14 14 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.867 80.7 59.4 -42.1 -48.3 30.4 37.6 3.9 15 15 A G T 3 S+ 0 0 86 -3,-0.1 2,-0.3 2,-0.0 -5,-0.1 0.203 96.0 99.5 -72.2 20.2 26.8 36.3 4.1 16 16 A S < - 0 0 9 -3,-2.2 -3,-0.0 -6,-0.2 -7,-0.0 -0.718 56.8-159.7-120.0 168.6 28.0 32.9 5.4 17 17 A H >> - 0 0 90 -2,-0.3 4,-2.6 1,-0.1 3,-0.6 -0.806 20.7-168.1-134.6 78.7 28.4 30.8 8.5 18 18 A P H 3>>S+ 0 0 14 0, 0.0 4,-2.3 0, 0.0 5,-0.9 0.816 80.0 60.8 -38.5 -55.5 31.0 28.1 7.3 19 19 A L H 3>5S+ 0 0 97 1,-0.2 4,-0.9 2,-0.2 -2,-0.0 0.939 118.2 31.5 -40.7 -60.7 30.6 25.7 10.2 20 20 A M H <45S+ 0 0 119 -3,-0.6 -1,-0.2 2,-0.1 -4,-0.0 0.918 124.1 46.1 -65.0 -51.2 27.0 25.3 9.3 21 21 A D H <5S+ 0 0 44 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.1 0.906 123.5 21.2 -59.8 -59.9 27.2 25.8 5.5 22 22 A F H ><5S+ 0 0 21 -4,-2.3 3,-0.6 -5,-0.1 2,-0.3 0.424 95.3 98.9 -98.1 -5.6 30.1 23.7 4.3 23 23 A N T 3< -AB 29 116A 1 4,-2.3 4,-1.1 -3,-0.6 91,-0.2 -0.956 61.2 -35.2-120.9 139.4 28.1 18.9 2.6 26 26 A G T 4 S- 0 0 4 89,-2.2 92,-0.4 -2,-0.4 94,-0.1 0.033 103.6 -46.4 48.4-137.4 28.2 16.3 -0.3 27 27 A b T 4 S+ 0 0 11 96,-0.1 7,-0.4 6,-0.1 -1,-0.2 0.743 134.1 26.2-100.1 -27.5 30.8 13.6 -0.3 28 28 A Y T 4 S+ 0 0 28 5,-0.2 2,-1.4 -3,-0.2 -2,-0.2 0.723 87.0 93.3-111.4 -28.1 34.0 15.6 0.6 29 29 A c B < S+A 25 0A 8 -4,-1.1 -4,-2.3 -6,-0.1 -5,-0.5 -0.588 90.4 36.6 -69.2 96.4 33.1 18.8 2.6 30 30 A G S S- 0 0 21 -2,-1.4 -7,-0.0 2,-0.2 2,-0.0 -0.792 115.2 -31.5 141.7 170.4 33.6 17.3 6.1 31 31 A L S S- 0 0 175 -2,-0.3 -2,-0.0 2,-0.0 2,-0.0 -0.286 114.7 -9.2 -59.9 136.4 36.0 14.8 7.6 32 32 A G - 0 0 52 1,-0.0 -2,-0.2 -2,-0.0 2,-0.2 -0.384 69.4-153.0 72.6-161.9 37.1 12.1 5.1 33 33 A G - 0 0 34 -4,-0.1 2,-0.3 91,-0.1 -5,-0.2 -0.587 12.6-178.6 160.4 150.8 35.4 11.9 1.7 34 34 A S + 0 0 58 -7,-0.4 2,-0.1 -2,-0.2 0, 0.0 -0.908 48.4 23.3-156.3 166.4 34.9 8.8 -0.6 35 35 A G S S- 0 0 37 -2,-0.3 89,-0.1 89,-0.1 85,-0.0 -0.369 103.6 -40.6 71.9-155.1 33.4 8.3 -4.0 36 36 A T - 0 0 111 87,-0.2 -2,-0.1 -2,-0.1 7,-0.0 -0.929 67.7 -98.5-114.1 136.5 32.9 11.1 -6.6 37 37 A P - 0 0 26 0, 0.0 6,-0.1 0, 0.0 -11,-0.1 -0.305 26.0-137.7 -55.4 142.6 31.8 14.6 -5.5 38 38 A V S S- 0 0 49 77,-0.1 2,-0.3 -3,-0.0 -12,-0.1 0.521 75.4 -12.3 -79.4 -16.4 28.1 15.1 -6.1 39 39 A D S > S- 0 0 31 76,-0.0 4,-1.4 1,-0.0 5,-0.1 -0.900 86.1 -72.7-164.7-172.7 28.5 18.7 -7.5 40 40 A E H > S+ 0 0 81 -2,-0.3 4,-1.1 2,-0.2 71,-0.1 0.786 124.5 49.9 -65.5 -46.1 30.9 21.6 -8.0 41 41 A L H > S+ 0 0 2 69,-0.5 4,-1.7 2,-0.2 3,-0.4 0.921 112.0 50.9 -64.1 -44.2 31.0 22.9 -4.4 42 42 A D H > S+ 0 0 0 1,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.884 107.0 53.2 -61.2 -38.2 31.7 19.3 -3.3 43 43 A R H X S+ 0 0 85 -4,-1.4 4,-2.4 2,-0.2 -1,-0.3 0.779 102.1 59.5 -67.1 -30.1 34.5 19.1 -5.9 44 44 A d H X S+ 0 0 2 -4,-1.1 4,-1.3 -3,-0.4 -2,-0.2 0.960 109.8 43.5 -60.8 -50.1 35.9 22.3 -4.3 45 45 A c H X S+ 0 0 4 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.812 110.7 53.0 -59.3 -44.7 36.2 20.3 -1.0 46 46 A E H X S+ 0 0 49 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.942 109.3 50.5 -62.2 -46.2 37.6 17.2 -2.7 47 47 A T H X S+ 0 0 67 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.793 110.8 48.7 -62.2 -32.6 40.3 19.4 -4.3 48 48 A H H X S+ 0 0 8 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.900 108.7 53.3 -73.4 -44.1 41.1 20.8 -0.8 49 49 A D H X S+ 0 0 43 -4,-2.5 4,-2.1 1,-0.3 -2,-0.2 0.930 110.8 47.4 -51.5 -52.5 41.3 17.3 0.7 50 50 A N H X S+ 0 0 77 -4,-2.8 4,-2.4 2,-0.2 -1,-0.3 0.813 107.2 57.6 -60.0 -34.9 43.7 16.5 -2.1 51 51 A e H X S+ 0 0 26 -4,-1.2 4,-2.7 2,-0.2 -2,-0.2 0.923 108.5 45.3 -62.2 -46.2 45.7 19.7 -1.3 52 52 A Y H X S+ 0 0 16 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.884 109.5 56.0 -66.5 -37.2 46.2 18.7 2.3 53 53 A R H X S+ 0 0 188 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.930 110.5 44.9 -63.3 -47.4 47.2 15.1 1.1 54 54 A D H >< S+ 0 0 91 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.943 108.2 57.7 -58.8 -50.6 49.9 16.7 -1.1 55 55 A A H >< S+ 0 0 0 -4,-2.7 3,-1.7 1,-0.3 -1,-0.2 0.856 101.5 57.3 -40.5 -51.3 51.0 19.0 1.8 56 56 A K H 3< S+ 0 0 112 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.781 97.9 61.6 -54.9 -34.7 51.6 15.9 3.9 57 57 A N T << S+ 0 0 124 -3,-1.9 2,-0.8 -4,-1.0 -1,-0.3 0.103 71.3 112.4 -80.8 16.4 54.0 14.6 1.3 58 58 A L X - 0 0 53 -3,-1.7 3,-2.0 3,-0.3 -3,-0.0 -0.886 56.1-158.0 -90.3 108.8 56.5 17.5 1.7 59 59 A D T 3 S+ 0 0 168 -2,-0.8 -1,-0.2 1,-0.3 -3,-0.0 0.710 93.2 55.7 -60.3 -19.6 59.5 15.8 3.2 60 60 A S T 3 S+ 0 0 98 1,-0.1 2,-0.6 -3,-0.1 -1,-0.3 0.556 97.5 71.1 -88.1 -11.1 60.5 19.2 4.5 61 61 A f < + 0 0 10 -3,-2.0 2,-0.3 -6,-0.2 -3,-0.3 -0.948 54.3 177.9-112.3 124.8 57.2 19.9 6.3 62 62 A K - 0 0 133 -2,-0.6 4,-0.1 5,-0.0 3,-0.1 -0.592 17.7-156.9-124.5 72.9 56.4 18.0 9.4 63 63 A F > - 0 0 8 -2,-0.3 3,-2.7 1,-0.1 6,-0.0 0.085 32.0 -89.0 -51.8 144.9 53.1 19.1 10.9 64 64 A L G > S- 0 0 125 1,-0.3 3,-3.2 3,-0.2 6,-0.3 -0.335 113.8 -7.0 -57.6 131.5 52.1 18.8 14.5 65 65 A V G 3 S- 0 0 119 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.824 122.1 -78.2 43.5 39.8 50.4 15.4 15.0 66 66 A D G < S+ 0 0 80 -3,-2.7 -1,-0.3 1,-0.1 -2,-0.2 0.686 99.8 132.4 46.5 28.8 50.7 15.2 11.2 67 67 A N X - 0 0 64 -3,-3.2 3,-2.3 1,-0.1 -3,-0.2 -0.898 44.1-165.3-115.9 107.4 47.7 17.5 10.9 68 68 A P G > S+ 0 0 3 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.698 87.1 73.2 -58.2 -24.3 48.1 20.5 8.4 69 69 A Y G 3 S+ 0 0 62 1,-0.3 -67,-2.3 -68,-0.1 -66,-0.2 0.685 89.1 62.9 -64.1 -18.8 45.0 22.0 10.0 70 70 A T G < S+ 0 0 53 -3,-2.3 2,-0.6 -6,-0.3 -1,-0.3 0.484 81.0 99.6 -83.4 -7.5 47.2 22.7 13.0 71 71 A E < - 0 0 41 -3,-2.1 2,-0.4 -4,-0.1 -8,-0.0 -0.751 58.9-156.9 -90.8 121.5 49.5 25.1 11.0 72 72 A S + 0 0 59 -2,-0.6 2,-0.2 -71,-0.1 20,-0.1 -0.828 18.1 172.4 -96.0 132.7 48.9 28.8 11.4 73 73 A Y - 0 0 11 -2,-0.4 2,-0.4 19,-0.1 20,-0.0 -0.533 34.0 -99.9-123.0-175.7 50.1 31.1 8.5 74 74 A S + 0 0 47 11,-0.2 11,-3.2 -2,-0.2 2,-0.3 -0.965 47.4 152.1-119.9 125.6 49.6 34.8 7.8 75 75 A Y E -C 84 0B 49 -2,-0.4 2,-0.4 9,-0.3 9,-0.2 -0.967 29.1-135.9-143.9 164.6 47.0 36.1 5.4 76 76 A S E -C 83 0B 68 7,-2.6 7,-2.2 -2,-0.3 2,-0.5 -0.939 2.8-154.8-130.8 146.5 45.0 39.2 4.9 77 77 A a E +C 82 0B 58 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.937 20.4 167.1-121.1 106.9 41.4 39.8 4.1 78 78 A S E > -C 81 0B 91 3,-1.9 3,-0.8 -2,-0.5 -2,-0.0 -0.820 68.4 -37.4-128.6 94.6 40.6 43.0 2.4 79 79 A N T 3 S- 0 0 145 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.967 122.0 -38.8 61.8 59.3 37.2 43.5 0.8 80 80 A T T 3 S+ 0 0 74 -69,-0.2 2,-0.4 1,-0.1 -1,-0.3 0.221 114.9 104.8 76.4 -8.5 36.6 40.0 -0.6 81 81 A E E < -C 78 0B 136 -3,-0.8 -3,-1.9 -70,-0.0 2,-0.4 -0.880 55.5-150.2-110.0 138.6 40.2 39.3 -1.8 82 82 A I E -C 77 0B 11 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.882 11.6-174.4-106.8 133.8 42.5 37.0 0.1 83 83 A T E -C 76 0B 86 -7,-2.2 -7,-2.6 -2,-0.4 2,-0.5 -0.987 18.5-141.6-125.9 138.2 46.3 37.4 0.1 84 84 A g E -C 75 0B 23 -2,-0.4 -9,-0.3 -9,-0.2 9,-0.0 -0.872 37.0-107.2 -95.6 128.1 48.7 34.9 1.7 85 85 A N > - 0 0 67 -11,-3.2 3,-1.1 -2,-0.5 -11,-0.2 -0.298 19.5-139.6 -55.2 138.3 51.5 36.7 3.4 86 86 A S T 3 S+ 0 0 112 1,-0.2 -1,-0.2 7,-0.0 7,-0.1 0.594 99.3 65.3 -77.1 -10.4 54.7 36.3 1.4 87 87 A K T 3 S+ 0 0 182 -13,-0.1 -1,-0.2 6,-0.0 2,-0.1 0.319 72.3 112.9 -91.7 3.0 56.7 35.9 4.6 88 88 A N S < S- 0 0 15 -3,-1.1 -15,-0.1 -14,-0.2 2,-0.1 -0.547 77.9-108.5 -69.2 151.3 54.9 32.6 5.5 89 89 A N > - 0 0 77 -2,-0.1 4,-3.7 1,-0.1 5,-0.2 -0.259 37.7 -91.2 -78.3 170.6 57.5 29.8 5.4 90 90 A A H > S+ 0 0 78 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.789 127.9 47.4 -49.4 -41.3 57.3 27.2 2.5 91 91 A f H > S+ 0 0 15 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.954 116.5 42.8 -66.7 -52.8 55.0 24.9 4.6 92 92 A E H > S+ 0 0 44 2,-0.2 4,-3.7 1,-0.2 -2,-0.2 0.895 110.4 56.7 -58.0 -46.9 52.7 27.7 5.7 93 93 A A H X S+ 0 0 31 -4,-3.7 4,-2.1 1,-0.2 -1,-0.2 0.943 108.6 49.0 -51.4 -48.8 52.7 29.2 2.2 94 94 A F H X S+ 0 0 68 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.920 113.9 42.1 -58.1 -55.3 51.4 25.8 0.9 95 95 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 3,-0.3 0.953 110.8 60.4 -60.4 -42.8 48.6 25.3 3.5 96 96 A g H X S+ 0 0 0 -4,-3.7 4,-3.1 1,-0.3 -2,-0.2 0.916 107.6 43.7 -50.4 -53.9 47.7 29.1 3.0 97 97 A N H X S+ 0 0 66 -4,-2.1 4,-3.3 2,-0.2 -1,-0.3 0.793 107.7 56.5 -60.9 -39.4 47.1 28.5 -0.7 98 98 A e H X S+ 0 0 2 -4,-1.7 4,-1.9 -3,-0.3 -1,-0.2 0.957 114.6 41.8 -57.3 -47.9 45.0 25.3 -0.3 99 99 A D H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 3,-0.2 0.955 115.1 49.1 -62.3 -54.5 42.8 27.4 2.0 100 100 A R H X S+ 0 0 76 -4,-3.1 4,-1.9 -5,-0.2 -2,-0.2 0.889 112.6 48.7 -52.1 -53.2 42.8 30.4 -0.3 101 101 A N H X S+ 0 0 92 -4,-3.3 4,-2.1 1,-0.2 -1,-0.2 0.806 110.2 50.9 -57.2 -39.0 41.9 28.2 -3.3 102 102 A A H X S+ 0 0 3 -4,-1.9 4,-3.1 -3,-0.2 -1,-0.2 0.942 109.2 51.8 -64.7 -49.5 39.1 26.4 -1.4 103 103 A A H X S+ 0 0 1 -4,-2.5 4,-2.0 2,-0.3 -2,-0.2 0.897 112.1 42.7 -55.6 -51.2 37.5 29.8 -0.4 104 104 A I H X S+ 0 0 49 -4,-1.9 4,-1.9 2,-0.2 3,-0.5 0.976 114.7 55.2 -57.0 -51.4 37.4 31.3 -3.9 105 105 A d H X S+ 0 0 23 -4,-2.1 4,-0.6 1,-0.3 -2,-0.3 0.916 108.1 45.7 -45.5 -59.5 36.2 27.9 -5.0 106 106 A F H >< S+ 0 0 11 -4,-3.1 3,-0.6 1,-0.2 -1,-0.3 0.817 109.9 58.9 -54.4 -37.1 33.3 27.9 -2.6 107 107 A S H 3< S+ 0 0 53 -4,-2.0 -2,-0.2 -3,-0.5 -1,-0.2 0.960 108.9 38.9 -63.1 -54.8 32.5 31.5 -3.6 108 108 A K H 3< S+ 0 0 177 -4,-1.9 -1,-0.2 -3,-0.1 -2,-0.2 0.340 100.3 94.7 -76.2 1.4 31.9 30.9 -7.3 109 109 A A S << S- 0 0 16 -3,-0.6 2,-0.3 -4,-0.6 0, 0.0 -0.772 77.1-113.8-106.0 148.8 30.1 27.5 -6.9 110 110 A P - 0 0 82 0, 0.0 -69,-0.5 0, 0.0 2,-0.4 -0.578 28.5-140.4 -73.7 134.1 26.4 26.9 -6.7 111 111 A Y - 0 0 71 -2,-0.3 2,-0.6 -71,-0.1 3,-0.1 -0.879 10.2-158.7 -96.3 132.6 25.2 25.6 -3.3 112 112 A N > - 0 0 45 -2,-0.4 3,-1.3 1,-0.1 4,-0.3 -0.914 11.6-157.9-115.9 112.0 22.4 22.8 -3.2 113 113 A K G > S+ 0 0 171 -2,-0.6 3,-1.7 1,-0.3 -1,-0.1 0.820 94.0 66.6 -51.3 -32.0 20.5 22.5 0.1 114 114 A E G 3 S+ 0 0 124 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.899 95.1 55.7 -56.3 -43.4 19.7 19.0 -1.1 115 115 A H G < S+ 0 0 39 -3,-1.3 -89,-2.2 3,-0.1 3,-0.4 0.460 80.1 108.9 -70.8 -4.5 23.4 18.0 -0.7 116 116 A K B < S+B 25 0A 57 -3,-1.7 -91,-0.2 -4,-0.3 -92,-0.1 -0.510 93.8 0.1 -73.6 140.4 23.7 19.1 2.9 117 117 A N S S- 0 0 124 -93,-3.2 -1,-0.2 -94,-0.2 2,-0.1 0.927 90.7-172.5 43.8 71.4 24.0 16.0 5.3 118 118 A L - 0 0 40 -3,-0.4 2,-1.7 -92,-0.4 3,-0.1 -0.509 37.7-103.1 -87.8 164.5 23.8 13.4 2.4 119 119 A D >> + 0 0 74 1,-0.2 3,-2.8 -2,-0.1 4,-2.1 -0.628 45.7 179.7 -89.1 75.3 23.6 9.7 3.1 120 120 A T H 3> S+ 0 0 53 -2,-1.7 4,-1.6 1,-0.3 -1,-0.2 0.784 72.1 66.6 -49.0 -33.7 27.3 9.2 2.3 121 121 A K H 34 S+ 0 0 194 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.722 116.3 28.4 -66.1 -13.9 27.1 5.5 3.0 122 122 A K H <4 S+ 0 0 141 -3,-2.8 -2,-0.2 0, 0.0 -1,-0.2 0.749 127.4 34.5-115.6 -36.4 24.8 5.2 0.0 123 123 A Y H < 0 0 142 -4,-2.1 -87,-0.2 1,-0.2 -3,-0.2 0.425 360.0 360.0-105.9 0.8 25.6 8.0 -2.5 124 124 A b < 0 0 59 -4,-1.6 -1,-0.2 -5,-0.3 -89,-0.1 -0.761 360.0 360.0-113.6 360.0 29.4 8.4 -2.1