==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-APR-02 1LE6 . COMPND 2 MOLECULE: GROUP X SECRETORY PHOSPHOLIPASE A2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.H.PAN,M.K.JAIN,B.J.BAHNSON . 369 3 24 24 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20217.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 217 58.8 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 . 27 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 . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 18 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 34.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 0 0 0 0 0 0 3 0 0 0 0 0 1 5 0 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 . 6 0 0 3 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 . 3 3 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 G > 0 0 2 0, 0.0 4,-2.7 0, 0.0 61,-0.3 0.000 360.0 360.0 360.0 178.8 30.1 0.1 22.3 2 2 A I H > + 0 0 103 59,-2.0 4,-2.6 1,-0.2 5,-0.2 0.824 360.0 57.8 -58.0 -32.0 28.5 3.5 22.6 3 3 A L H > S+ 0 0 61 58,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.943 110.2 41.3 -64.1 -48.9 29.5 4.1 18.9 4 4 A E H > S+ 0 0 4 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.895 113.7 54.2 -66.0 -40.6 27.5 1.0 17.8 5 5 A L H X S+ 0 0 30 -4,-2.7 4,-2.1 2,-0.2 5,-0.2 0.938 112.0 43.0 -59.5 -48.0 24.6 1.8 20.1 6 6 A A H X S+ 0 0 9 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.937 116.7 48.8 -63.1 -46.3 24.3 5.3 18.7 7 7 A G H X S+ 0 0 10 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.914 110.6 48.3 -60.7 -47.4 24.7 4.1 15.2 8 8 A T H X S+ 0 0 0 -4,-3.3 4,-1.7 2,-0.2 5,-0.3 0.934 113.9 46.7 -61.0 -46.3 22.2 1.2 15.4 9 9 A V H X S+ 0 0 9 -4,-2.1 4,-2.2 -5,-0.3 6,-0.2 0.911 113.9 48.2 -62.4 -42.3 19.5 3.5 17.0 10 10 A G H < S+ 0 0 15 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.881 107.3 58.9 -65.2 -36.1 20.2 6.2 14.4 11 11 A a H < S+ 0 0 14 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.887 118.7 24.1 -59.0 -45.4 20.0 3.5 11.6 12 12 A V H < S+ 0 0 23 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.1 0.865 108.2 75.3 -93.1 -40.8 16.4 2.3 12.4 13 13 A G S < S- 0 0 4 -4,-2.2 86,-0.1 -5,-0.3 87,-0.1 -0.117 73.6-123.5 -78.2 171.0 14.6 5.2 14.2 14 14 A P S S+ 0 0 62 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.360 87.3 52.5 -90.3 2.1 13.1 8.5 13.1 15 15 A R S S- 0 0 34 -6,-0.2 215,-0.2 215,-0.1 -2,-0.1 -0.939 93.4 -79.2-141.7 162.8 15.1 10.6 15.5 16 16 A T > - 0 0 14 213,-0.5 3,-2.0 -2,-0.3 4,-0.2 -0.285 37.1-128.5 -57.8 138.1 18.6 11.5 16.7 17 17 A P G > S+ 0 0 15 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.784 106.7 70.4 -58.6 -27.2 20.1 8.9 19.2 18 18 A I G > S+ 0 0 51 215,-0.3 3,-1.9 1,-0.3 4,-0.4 0.722 77.8 79.1 -64.2 -19.8 20.9 11.8 21.5 19 19 A A G < S+ 0 0 15 -3,-2.0 -1,-0.3 1,-0.3 3,-0.1 0.669 96.3 46.2 -62.7 -14.7 17.1 12.2 22.1 20 20 A Y G < S+ 0 0 19 -3,-1.8 3,-0.5 -4,-0.2 -1,-0.3 0.198 78.7 101.5-113.9 15.9 17.4 9.2 24.5 21 21 A M S < S+ 0 0 125 -3,-1.9 8,-0.3 1,-0.3 2,-0.2 0.849 104.1 8.5 -67.3 -35.2 20.5 10.3 26.5 22 22 A K S S+ 0 0 61 -4,-0.4 87,-3.5 -3,-0.1 2,-0.4 -0.717 91.3 136.8-148.3 89.7 18.4 11.5 29.4 23 23 A Y B > -AB 27 108A 0 4,-2.0 4,-1.7 -3,-0.5 3,-0.4 -0.998 61.2 -30.3-142.1 133.8 14.8 10.5 29.0 24 24 A G T 4 S- 0 0 0 83,-2.7 91,-0.1 -2,-0.4 85,-0.0 -0.154 101.5 -49.4 59.3-153.2 12.3 9.1 31.5 25 25 A b T 4 S+ 0 0 0 9,-0.2 7,-0.8 1,-0.1 -1,-0.2 0.621 134.6 29.6 -93.1 -15.0 13.6 6.9 34.3 26 26 A F T 4 S+ 0 0 6 -3,-0.4 2,-1.0 5,-0.2 -2,-0.2 0.665 86.6 94.4-120.4 -22.4 15.7 4.5 32.3 27 27 A c B < S+A 23 0A 6 -4,-1.7 -4,-2.0 2,-0.0 2,-0.2 -0.646 89.2 26.5 -76.4 106.9 17.1 6.1 29.2 28 28 A G S S- 0 0 25 -2,-1.0 -6,-0.1 -6,-0.2 -7,-0.1 -0.713 114.8 -10.0 130.2 178.1 20.5 7.2 30.4 29 29 A L S S- 0 0 145 -8,-0.3 -2,-0.0 -2,-0.2 -8,-0.0 -0.163 115.6 -31.4 -49.9 126.3 23.0 6.1 33.1 30 30 A G S S- 0 0 54 1,-0.1 -2,-0.1 17,-0.0 2,-0.1 -0.258 74.4-161.0 60.8-148.0 21.4 3.5 35.4 31 31 A G + 0 0 26 -4,-0.1 2,-0.3 16,-0.0 -5,-0.2 -0.333 15.2 177.2 138.4 139.2 17.7 3.8 36.0 32 32 A H + 0 0 64 -7,-0.8 2,-0.2 -2,-0.1 86,-0.1 -0.974 38.5 44.3-158.5 165.2 14.9 2.7 38.4 33 33 A G S S- 0 0 0 -2,-0.3 82,-0.1 84,-0.2 -8,-0.0 -0.567 95.5 -14.0 98.7-161.1 11.2 3.1 39.0 34 34 A Q - 0 0 105 -2,-0.2 -9,-0.2 85,-0.1 82,-0.1 -0.722 69.0-119.6 -85.3 116.3 8.2 3.0 36.8 35 35 A P - 0 0 3 0, 0.0 6,-0.1 0, 0.0 -11,-0.1 -0.382 23.2-144.5 -55.9 126.1 9.1 3.2 33.1 36 36 A R - 0 0 44 71,-0.1 2,-0.3 -2,-0.1 -12,-0.1 0.771 63.0 -23.8 -67.8 -30.8 7.2 6.4 32.1 37 37 A D S > S- 0 0 32 1,-0.1 4,-2.2 70,-0.0 5,-0.2 -0.908 84.8 -62.8-162.5-170.7 6.2 5.3 28.5 38 38 A A H > S+ 0 0 60 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.894 129.5 49.0 -54.8 -45.8 7.0 3.1 25.6 39 39 A I H > S+ 0 0 0 63,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.942 110.6 50.0 -61.0 -46.9 10.4 4.7 25.0 40 40 A D H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.848 108.4 54.2 -61.4 -32.9 11.3 4.3 28.7 41 41 A W H X S+ 0 0 120 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.872 104.5 54.2 -69.3 -35.4 10.3 0.7 28.5 42 42 A d H X S+ 0 0 9 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.923 109.7 47.6 -62.6 -42.3 12.6 0.1 25.6 43 43 A c H X S+ 0 0 5 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.828 108.4 55.0 -67.5 -32.7 15.5 1.6 27.7 44 44 A H H X S+ 0 0 12 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.945 109.7 45.7 -65.5 -46.8 14.5 -0.7 30.6 45 45 A G H X S+ 0 0 28 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.862 113.8 50.6 -62.6 -34.3 14.7 -3.7 28.5 46 46 A H H X S+ 0 0 10 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.880 107.4 52.0 -71.3 -38.6 18.0 -2.4 27.1 47 47 A D H X S+ 0 0 40 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.917 110.7 49.8 -62.6 -41.1 19.4 -1.8 30.7 48 48 A e H X S+ 0 0 12 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.922 110.7 48.8 -61.4 -45.6 18.4 -5.4 31.4 49 49 A f H X S+ 0 0 24 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.910 111.4 49.3 -61.7 -44.5 20.2 -6.7 28.3 50 50 A Y H X S+ 0 0 33 -4,-2.7 4,-3.1 2,-0.2 -1,-0.2 0.875 108.5 53.9 -63.9 -37.8 23.3 -4.7 29.1 51 51 A T H X S+ 0 0 49 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.931 108.3 48.5 -62.5 -46.0 23.3 -6.0 32.7 52 52 A R H X S+ 0 0 102 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.926 112.8 50.1 -58.9 -43.4 23.2 -9.6 31.4 53 53 A A H ><>S+ 0 0 2 -4,-2.2 5,-2.1 1,-0.2 3,-0.7 0.927 109.9 49.2 -60.8 -47.0 26.1 -8.7 29.1 54 54 A E H ><5S+ 0 0 114 -4,-3.1 3,-1.5 1,-0.3 -1,-0.2 0.871 108.1 53.8 -60.8 -38.2 28.1 -7.1 31.9 55 55 A E H 3<5S+ 0 0 133 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.711 103.4 58.6 -69.4 -19.9 27.6 -10.2 34.1 56 56 A A T <<5S- 0 0 63 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.357 127.2 -99.4 -90.0 4.9 28.9 -12.3 31.2 57 57 A G T < 5S+ 0 0 65 -3,-1.5 -3,-0.2 1,-0.3 2,-0.2 0.661 79.2 137.2 87.5 17.2 32.2 -10.3 31.3 58 58 A g < - 0 0 8 -5,-2.1 -1,-0.3 -6,-0.2 -2,-0.0 -0.514 52.8-134.7 -93.5 164.7 31.4 -8.0 28.4 59 59 A S >> - 0 0 63 -2,-0.2 4,-3.3 1,-0.1 3,-1.5 -0.751 19.0-175.4-122.3 83.2 32.0 -4.2 28.3 60 60 A P T 34 S+ 0 0 5 0, 0.0 -1,-0.1 0, 0.0 -9,-0.0 0.699 80.2 54.1 -47.6 -31.8 28.8 -2.6 26.9 61 61 A K T 34 S+ 0 0 147 -60,-0.2 -59,-2.0 1,-0.1 -58,-0.2 0.750 128.8 8.1 -80.8 -23.5 30.2 0.9 26.8 62 62 A T T <4 S+ 0 0 102 -3,-1.5 2,-0.5 -61,-0.3 -1,-0.1 0.560 85.2 118.1-135.3 -14.7 33.3 0.1 24.7 63 63 A E < - 0 0 46 -4,-3.3 2,-0.1 1,-0.1 -5,-0.0 -0.475 56.3-142.1 -66.3 113.8 33.3 -3.4 23.3 64 64 A R + 0 0 153 -2,-0.5 2,-0.3 -61,-0.0 23,-0.1 -0.423 23.0 177.4 -77.9 148.8 33.3 -3.0 19.5 65 65 A Y - 0 0 14 -2,-0.1 2,-0.4 22,-0.1 14,-0.1 -0.987 30.4-107.4-149.2 155.1 31.4 -5.3 17.2 66 66 A S + 0 0 91 -2,-0.3 11,-1.1 12,-0.1 2,-0.3 -0.705 48.9 143.9 -89.3 133.3 30.7 -5.5 13.4 67 67 A W E -C 76 0B 67 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.959 30.1-143.4-156.7 168.6 27.3 -4.6 12.1 68 68 A Q E -C 75 0B 122 7,-2.1 7,-3.0 -2,-0.3 2,-0.7 -0.997 11.0-136.6-144.3 145.3 25.7 -2.9 9.1 69 69 A a E +C 74 0B 59 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.904 29.6 171.2-103.8 113.5 22.8 -0.6 8.4 70 70 A V E > S-C 73 0B 62 3,-2.4 3,-0.6 -2,-0.7 -2,-0.1 -0.983 70.3 -17.5-126.2 120.5 20.8 -1.7 5.3 71 71 A N T 3 S- 0 0 145 -2,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.909 127.0 -54.5 52.9 46.4 17.5 -0.1 4.4 72 72 A Q T 3 S+ 0 0 111 1,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.847 115.5 115.4 56.6 38.0 17.2 1.3 8.0 73 73 A S E < -C 70 0B 49 -3,-0.6 -3,-2.4 2,-0.0 2,-0.5 -0.998 66.2-121.8-137.0 139.6 17.6 -2.2 9.5 74 74 A V E -C 69 0B 7 -2,-0.4 2,-0.6 -5,-0.2 -5,-0.2 -0.713 21.1-165.1 -86.9 123.5 20.5 -3.4 11.7 75 75 A L E -C 68 0B 83 -7,-3.0 -7,-2.1 -2,-0.5 2,-0.8 -0.932 8.9-152.0-109.5 112.2 22.4 -6.4 10.5 76 76 A h E -C 67 0B 47 -2,-0.6 -9,-0.2 -9,-0.2 3,-0.2 -0.751 21.5-137.1 -85.2 110.0 24.6 -8.0 13.2 77 77 A G - 0 0 26 -11,-1.1 2,-0.2 -2,-0.8 -11,-0.1 -0.029 45.1 -61.0 -60.3 169.3 27.4 -9.7 11.3 78 78 A P - 0 0 136 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.361 65.8-125.5 -54.9 118.0 28.7 -13.1 12.2 79 79 A A - 0 0 46 -3,-0.2 3,-0.1 -2,-0.2 -14,-0.0 -0.440 16.2-157.3 -69.9 140.7 29.8 -12.6 15.8 80 80 A E S S+ 0 0 164 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.914 78.2 10.6 -81.4 -49.5 33.4 -13.6 16.6 81 81 A N S > S- 0 0 69 1,-0.0 4,-1.7 0, 0.0 3,-0.3 -0.790 84.9-101.0-125.5 169.5 32.8 -14.1 20.3 82 82 A K H > S+ 0 0 125 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.847 116.5 57.1 -60.0 -37.9 29.7 -14.2 22.6 83 83 A g H > S+ 0 0 18 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.884 106.5 48.2 -63.5 -40.1 30.1 -10.6 23.8 84 84 A Q H > S+ 0 0 26 -3,-0.3 4,-1.9 2,-0.2 5,-0.2 0.907 113.8 48.2 -66.4 -40.5 30.0 -9.2 20.3 85 85 A E H X S+ 0 0 94 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.914 114.0 46.4 -64.2 -45.2 26.9 -11.2 19.5 86 86 A L H X S+ 0 0 51 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.937 112.5 47.5 -64.6 -50.2 25.1 -10.2 22.7 87 87 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.899 112.0 49.0 -61.2 -43.1 25.8 -6.5 22.6 88 88 A h H X S+ 0 0 3 -4,-1.9 4,-2.8 -5,-0.2 -1,-0.2 0.886 111.2 52.0 -64.4 -35.9 24.7 -6.2 18.9 89 89 A K H X S+ 0 0 97 -4,-1.6 4,-2.2 -5,-0.2 -2,-0.2 0.919 111.0 47.6 -64.5 -43.6 21.6 -8.1 19.9 90 90 A f H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.943 116.7 41.3 -61.4 -51.7 21.0 -5.7 22.7 91 91 A D H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.884 113.9 52.6 -65.5 -39.9 21.5 -2.6 20.6 92 92 A Q H X S+ 0 0 55 -4,-2.8 4,-2.1 -5,-0.3 -1,-0.2 0.913 109.8 51.5 -61.2 -42.0 19.6 -4.0 17.7 93 93 A E H X S+ 0 0 77 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.926 111.4 43.6 -62.6 -48.7 16.7 -4.7 20.0 94 94 A I H X S+ 0 0 11 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.910 111.7 54.9 -66.9 -37.7 16.5 -1.2 21.5 95 95 A A H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.914 112.9 42.5 -59.0 -43.6 16.9 0.3 18.0 96 96 A N H X S+ 0 0 83 -4,-2.1 4,-0.6 2,-0.2 -1,-0.2 0.895 113.9 51.8 -69.4 -40.5 13.9 -1.8 16.8 97 97 A d H < S+ 0 0 62 -4,-2.5 3,-0.4 1,-0.2 -2,-0.2 0.901 113.4 43.7 -62.7 -43.0 11.9 -1.1 19.9 98 98 A L H >< S+ 0 0 2 -4,-2.8 3,-2.1 1,-0.2 -1,-0.2 0.787 93.3 83.8 -74.4 -29.4 12.4 2.7 19.7 99 99 A A H 3< S+ 0 0 14 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.782 98.0 34.7 -44.4 -43.3 11.7 2.9 15.9 100 100 A Q T 3< S+ 0 0 170 -4,-0.6 -1,-0.3 -3,-0.4 2,-0.2 0.098 94.3 114.0-106.1 24.3 7.9 3.1 16.2 101 101 A T < - 0 0 13 -3,-2.1 2,-0.4 -63,-0.1 -3,-0.0 -0.542 63.2-125.7 -92.5 159.0 7.5 5.0 19.4 102 102 A E - 0 0 154 -2,-0.2 2,-0.4 2,-0.0 -63,-0.3 -0.850 27.4-123.7-102.0 139.4 6.1 8.5 19.8 103 103 A Y - 0 0 53 -2,-0.4 2,-0.6 -64,-0.1 3,-0.1 -0.717 18.8-160.8 -89.4 130.8 8.4 11.0 21.6 104 104 A N > - 0 0 57 -2,-0.4 3,-2.2 1,-0.1 4,-0.4 -0.915 6.7-159.8-114.1 107.0 7.0 12.8 24.7 105 105 A L G > S+ 0 0 84 -2,-0.6 3,-1.1 1,-0.3 -1,-0.1 0.732 85.8 73.6 -55.9 -25.4 8.9 16.0 25.5 106 106 A K G 3 S+ 0 0 137 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.710 99.6 46.6 -64.5 -17.2 7.7 15.9 29.1 107 107 A Y G X S+ 0 0 40 -3,-2.2 -83,-2.7 3,-0.1 3,-1.7 0.505 82.6 111.8-102.2 -6.0 10.1 13.0 29.7 108 108 A L B < S+B 23 0A 63 -3,-1.1 -85,-0.2 -4,-0.4 -88,-0.1 -0.535 98.1 0.0 -68.4 128.7 13.1 14.6 28.1 109 109 A F T 3 S- 0 0 150 -87,-3.5 -1,-0.3 -2,-0.3 -86,-0.2 0.805 93.4-174.1 59.4 30.9 15.7 15.4 30.8 110 110 A Y < - 0 0 40 -3,-1.7 2,-0.5 -88,-0.3 -1,-0.2 -0.338 33.0-104.5 -59.5 133.1 13.2 13.9 33.3 111 111 A P > - 0 0 51 0, 0.0 3,-2.3 0, 0.0 4,-0.2 -0.465 24.6-150.1 -64.3 111.6 14.5 14.4 36.9 112 112 A Q G > S+ 0 0 56 -2,-0.5 3,-1.9 1,-0.3 -80,-0.1 0.758 90.9 69.8 -54.8 -29.0 15.7 11.0 38.1 113 113 A F G 3 S+ 0 0 176 1,-0.3 -1,-0.3 -3,-0.0 -88,-0.0 0.595 90.3 62.7 -69.0 -7.4 14.8 11.8 41.7 114 114 A L G < S+ 0 0 90 -3,-2.3 2,-0.3 2,-0.1 -1,-0.3 0.492 82.1 105.1 -91.7 -5.1 11.2 11.6 40.8 115 115 A b S < S- 0 0 11 -3,-1.9 -82,-0.2 -4,-0.2 -84,-0.0 -0.615 77.0-111.6 -81.6 132.9 11.6 7.9 39.8 116 116 A E - 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