==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 27-JUL-10 3O4M . COMPND 2 MOLECULE: PHOSPHOLIPASE A2, MAJOR ISOENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR K.V.DILEEP,I.TINTU,P.KARTHE,P.K.MANDAL,M.HARIDAS,C.SADASIVAN . 124 1 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7339.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 81 65.3 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 . 8 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 12.9 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 . 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 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 6 0, 0.0 4,-1.6 0, 0.0 3,-1.4 0.000 360.0 360.0 360.0 157.7 34.5 -7.8 22.4 2 2 A L H 3> + 0 0 76 67,-2.3 4,-2.3 1,-0.3 3,-0.5 0.855 360.0 52.3 -43.0 -52.7 33.6 -11.5 22.5 3 3 A W H 3> S+ 0 0 142 66,-0.3 4,-1.5 1,-0.3 -1,-0.3 0.854 108.7 51.9 -62.7 -28.8 30.2 -11.0 24.2 4 4 A Q H <> S+ 0 0 11 -3,-1.4 4,-2.2 2,-0.2 -1,-0.3 0.841 106.5 53.6 -76.9 -29.3 29.2 -8.5 21.5 5 5 A F H X S+ 0 0 14 -4,-1.6 4,-2.1 -3,-0.5 5,-0.2 0.953 108.3 49.1 -66.0 -46.9 30.2 -11.0 18.7 6 6 A R H X S+ 0 0 116 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.908 113.1 50.4 -55.7 -36.5 27.9 -13.7 20.3 7 7 A S H X S+ 0 0 44 -4,-1.5 4,-1.3 -5,-0.3 -1,-0.2 0.882 105.7 51.4 -76.8 -35.6 25.3 -11.0 20.4 8 8 A M H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.843 109.8 53.3 -62.5 -39.1 25.6 -9.9 16.7 9 9 A I H X S+ 0 0 6 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.892 107.3 49.7 -60.2 -39.3 25.3 -13.6 15.7 10 10 A K H < S+ 0 0 104 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.830 110.8 53.9 -73.1 -24.0 22.1 -13.7 17.7 11 11 A a H < S+ 0 0 13 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.946 113.9 36.7 -73.3 -50.6 21.2 -10.6 15.8 12 12 A A H < S+ 0 0 12 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.788 129.3 34.4 -74.8 -30.9 21.7 -12.1 12.4 13 13 A I S < S- 0 0 44 -4,-2.9 3,-0.5 -5,-0.2 -1,-0.3 -0.783 72.3-172.6-127.7 91.0 20.4 -15.5 13.3 14 14 A P S S+ 0 0 87 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.769 78.9 53.0 -60.5 -35.2 17.6 -15.0 15.9 15 15 A G S S+ 0 0 82 2,-0.0 2,-0.4 0, 0.0 -5,-0.1 -0.419 91.6 110.3 -97.1 60.7 16.9 -18.7 16.8 16 16 A S - 0 0 7 -2,-0.8 -3,-0.1 -3,-0.5 -7,-0.0 -0.981 58.0-151.3-135.5 142.6 20.6 -19.5 17.6 17 17 A H > - 0 0 96 -2,-0.4 4,-4.0 1,-0.2 3,-0.3 -0.830 22.0-162.6-104.7 93.2 22.8 -20.4 20.6 18 18 A P H > S+ 0 0 15 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.832 87.0 42.7 -43.6 -55.7 26.2 -19.1 19.4 19 19 A L H > S+ 0 0 99 1,-0.2 4,-0.7 2,-0.2 -2,-0.0 0.918 122.2 42.4 -60.0 -43.4 28.4 -21.0 21.9 20 20 A M H 4 S+ 0 0 118 -3,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.907 124.2 36.4 -63.3 -44.1 26.3 -24.1 21.4 21 21 A D H < S+ 0 0 32 -4,-4.0 -2,-0.2 1,-0.2 -1,-0.1 0.922 128.5 21.8 -83.6 -44.3 26.0 -23.7 17.6 22 22 A F H < S+ 0 0 21 -4,-3.0 2,-0.4 -5,-0.3 3,-0.4 0.150 94.6 95.0-119.4 14.2 29.4 -22.3 16.3 23 23 A N S < S+ 0 0 60 -4,-0.7 7,-0.3 -5,-0.3 94,-0.1 -0.935 97.2 10.7-112.5 133.4 31.9 -23.1 18.9 24 24 A N S S+ 0 0 86 5,-1.6 93,-3.3 -2,-0.4 2,-0.4 0.967 95.5 140.1 54.3 52.4 33.9 -26.3 18.2 25 25 A Y B > -AB 29 116A 0 4,-1.7 4,-0.7 -3,-0.4 3,-0.4 -0.996 61.3 -31.9-118.2 130.8 32.5 -26.5 14.8 26 26 A G T 4 S- 0 0 5 89,-3.6 92,-0.4 -2,-0.4 94,-0.1 -0.210 103.5 -43.0 71.7-159.2 34.7 -27.5 11.8 27 27 A b T 4 S+ 0 0 8 96,-0.1 7,-0.7 97,-0.1 -1,-0.2 0.557 134.6 22.9 -69.5 -32.8 38.5 -26.8 11.6 28 28 A Y T 4 S+ 0 0 26 -3,-0.4 2,-0.5 5,-0.2 -2,-0.2 0.846 86.4 94.7-114.8 -52.7 38.3 -23.2 12.9 29 29 A c B < S+A 25 0A 7 -4,-0.7 -4,-1.7 1,-0.1 -5,-1.6 -0.259 88.1 35.4 -53.1 100.2 35.3 -22.2 15.0 30 30 A G S S- 0 0 34 -2,-0.5 2,-0.4 -7,-0.3 -1,-0.1 -0.849 120.0 -14.7 154.5-114.1 36.5 -22.6 18.6 31 31 A L S S- 0 0 176 -2,-0.3 -8,-0.0 -8,-0.0 0, 0.0 -0.971 112.0 -29.0-120.4 146.0 40.2 -21.8 19.5 32 32 A G S S- 0 0 47 -2,-0.4 2,-0.3 17,-0.0 -2,-0.2 -0.263 74.5-137.9 54.1-139.3 43.1 -21.5 16.9 33 33 A G - 0 0 40 -4,-0.1 2,-0.3 16,-0.0 -5,-0.2 -0.854 16.2-159.9 165.4 165.8 42.4 -23.5 13.8 34 34 A S + 0 0 52 -7,-0.7 -7,-0.0 -2,-0.3 -2,-0.0 -0.978 47.9 9.7-158.6 164.4 44.4 -25.8 11.4 35 35 A G S S- 0 0 45 -2,-0.3 89,-0.1 89,-0.2 3,-0.0 -0.181 102.1 -36.7 67.7-159.0 44.3 -27.3 8.0 36 36 A T S S- 0 0 114 87,-0.2 7,-0.1 88,-0.2 -2,-0.0 -0.834 72.8 -98.3 -99.9 141.4 41.7 -26.2 5.3 37 37 A P - 0 0 27 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.253 25.5-134.8 -60.8 152.0 38.2 -25.4 6.4 38 38 A V S S- 0 0 47 1,-0.1 2,-0.3 77,-0.1 -12,-0.0 0.759 75.0 -13.3 -82.0 -27.0 35.6 -28.2 6.0 39 39 A D S > S- 0 0 28 76,-0.1 4,-1.9 1,-0.0 5,-0.2 -0.903 86.2 -73.6-157.8-177.7 32.8 -26.1 4.5 40 40 A E H > S+ 0 0 128 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.876 127.5 52.7 -53.8 -48.6 31.6 -22.5 3.9 41 41 A L H > S+ 0 0 2 69,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.929 109.7 47.6 -49.1 -50.8 30.7 -22.1 7.6 42 42 A D H > S+ 0 0 0 1,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.835 109.8 56.2 -65.1 -27.9 34.2 -23.2 8.7 43 43 A R H X S+ 0 0 108 -4,-1.9 4,-2.9 1,-0.2 -1,-0.3 0.894 101.0 54.5 -71.1 -38.0 35.5 -20.8 6.1 44 44 A d H X S+ 0 0 6 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.930 108.9 50.1 -59.6 -43.7 33.6 -18.0 7.6 45 45 A c H X S+ 0 0 7 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.907 109.7 50.4 -61.1 -45.5 35.4 -18.9 10.9 46 46 A E H X S+ 0 0 35 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.940 108.0 51.5 -58.4 -49.9 38.8 -19.0 9.2 47 47 A T H X S+ 0 0 64 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.909 109.2 53.3 -53.8 -40.5 38.3 -15.5 7.6 48 48 A H H X S+ 0 0 7 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.915 107.1 48.9 -64.2 -44.1 37.4 -14.3 11.1 49 49 A D H X S+ 0 0 53 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.919 114.4 47.7 -58.9 -40.1 40.6 -15.6 12.6 50 50 A N H X S+ 0 0 44 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.912 107.0 55.3 -65.6 -41.4 42.4 -14.0 9.7 51 51 A e H X S+ 0 0 22 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.838 110.1 47.3 -59.5 -33.8 40.5 -10.7 10.2 52 52 A Y H X S+ 0 0 14 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.892 108.6 54.2 -76.0 -36.8 41.7 -10.7 13.8 53 53 A R H X S+ 0 0 126 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.922 107.8 49.8 -53.6 -52.1 45.2 -11.5 12.8 54 54 A D H >< S+ 0 0 70 -4,-2.7 3,-0.7 1,-0.2 -1,-0.2 0.895 109.7 52.8 -53.2 -43.8 45.3 -8.5 10.5 55 55 A A H >< S+ 0 0 0 -4,-1.4 3,-1.7 1,-0.3 -1,-0.2 0.877 102.4 55.5 -64.3 -43.3 43.9 -6.3 13.3 56 56 A K H 3< S+ 0 0 83 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.775 104.6 60.1 -60.2 -22.3 46.7 -7.3 15.7 57 57 A N T << S+ 0 0 122 -4,-0.9 2,-0.7 -3,-0.7 -1,-0.3 0.303 70.7 104.4 -95.0 7.0 49.0 -6.1 12.9 58 58 A L X - 0 0 64 -3,-1.7 3,-2.3 1,-0.2 -3,-0.0 -0.806 69.8-143.8 -78.4 116.7 47.9 -2.4 12.7 59 59 A D T 3 S+ 0 0 149 -2,-0.7 -1,-0.2 1,-0.3 -4,-0.0 0.825 96.2 59.5 -55.2 -27.4 50.8 -0.8 14.6 60 60 A S T 3 S+ 0 0 100 -3,-0.1 2,-0.6 2,-0.0 -1,-0.3 0.426 90.3 79.6 -85.2 -0.5 48.3 1.7 16.1 61 61 A f < + 0 0 2 -3,-2.3 2,-0.5 -6,-0.2 -3,-0.1 -0.931 50.2 174.7-112.1 116.3 46.1 -0.9 17.9 62 62 A K - 0 0 154 -2,-0.6 3,-0.1 5,-0.0 5,-0.1 -0.801 19.3-157.5-119.7 95.3 47.4 -2.4 21.2 63 63 A F > - 0 0 21 -2,-0.5 3,-2.5 1,-0.1 2,-0.1 -0.315 28.9 -94.0 -75.5 150.1 44.7 -4.7 22.6 64 64 A L G > S- 0 0 130 1,-0.3 3,-2.2 3,-0.2 6,-0.3 -0.397 112.5 -3.9 -62.4 132.9 44.4 -5.6 26.2 65 65 A V G 3 S- 0 0 119 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.728 122.3 -80.5 47.1 25.5 46.3 -8.9 26.8 66 66 A D G < S+ 0 0 95 -3,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.645 100.4 125.5 68.0 18.4 46.8 -8.8 23.0 67 67 A N X - 0 0 64 -3,-2.2 3,-2.0 1,-0.1 -3,-0.2 -0.936 53.0-156.4-120.2 114.9 43.3 -10.1 22.3 68 68 A P G > S+ 0 0 1 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.764 89.9 74.8 -59.5 -23.3 41.0 -8.2 20.0 69 69 A Y G 3 S+ 0 0 65 1,-0.3 -67,-2.3 -68,-0.1 -66,-0.3 0.607 86.5 62.5 -62.4 -14.7 38.1 -10.0 21.8 70 70 A T G < S+ 0 0 57 -3,-2.0 2,-0.7 -6,-0.3 -1,-0.3 0.369 83.1 102.0 -88.0 0.8 38.6 -7.7 24.8 71 71 A E < - 0 0 42 -3,-1.9 2,-0.3 -4,-0.1 -8,-0.0 -0.802 58.8-156.6 -98.0 113.4 37.8 -4.7 22.7 72 72 A S + 0 0 58 -2,-0.7 2,-0.2 -71,-0.0 24,-0.1 -0.648 18.3 170.1 -87.5 143.6 34.4 -3.2 23.0 73 73 A Y - 0 0 12 -2,-0.3 2,-0.5 -72,-0.1 20,-0.1 -0.607 35.1 -97.9-132.5-170.3 33.0 -1.2 20.2 74 74 A S + 0 0 53 11,-0.2 11,-2.5 -2,-0.2 2,-0.3 -0.975 50.0 142.4-122.2 132.1 29.6 0.3 19.5 75 75 A Y E -C 84 0B 46 -2,-0.5 2,-0.3 9,-0.2 9,-0.2 -0.958 26.8-150.4-151.3 168.1 27.0 -1.4 17.2 76 76 A S E -C 83 0B 66 7,-1.8 7,-2.2 -2,-0.3 2,-0.4 -0.973 10.5-133.7-138.0 165.7 23.2 -1.8 17.1 77 77 A a E +C 82 0B 67 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.952 22.8 170.9-124.3 136.6 20.8 -4.4 15.7 78 78 A S E > -C 81 0B 70 3,-2.3 3,-3.3 -2,-0.4 -2,-0.0 -0.970 66.8 -28.5-150.1 126.6 17.7 -3.8 13.8 79 79 A N T 3 S- 0 0 155 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.856 125.5 -47.3 32.6 54.1 15.4 -6.2 11.9 80 80 A T T 3 S+ 0 0 85 1,-0.2 2,-0.5 -69,-0.1 -1,-0.3 0.267 114.7 116.8 86.3 -12.5 18.3 -8.6 11.3 81 81 A E E < -C 78 0B 97 -3,-3.3 -3,-2.3 2,-0.0 2,-0.4 -0.790 52.8-149.6-101.1 126.1 20.8 -6.0 10.1 82 82 A I E -C 77 0B 1 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.818 12.0-168.9 -93.0 134.1 24.0 -5.2 12.1 83 83 A T E -C 76 0B 75 -7,-2.2 -7,-1.8 -2,-0.4 2,-0.5 -0.991 13.6-145.1-120.7 130.6 25.4 -1.6 12.0 84 84 A g E -C 75 0B 26 -2,-0.4 -9,-0.2 -9,-0.2 2,-0.2 -0.801 31.2-113.0 -89.9 135.7 28.8 -0.7 13.3 85 85 A N > - 0 0 46 -11,-2.5 3,-1.7 -2,-0.5 -11,-0.2 -0.440 15.7-140.6 -70.1 137.4 28.8 2.8 14.8 86 86 A S T 3 S+ 0 0 113 1,-0.3 -1,-0.2 -2,-0.2 7,-0.1 0.709 97.8 68.5 -71.2 -16.2 30.9 5.2 12.7 87 87 A K T 3 S+ 0 0 169 5,-0.1 -1,-0.3 6,-0.0 2,-0.1 0.433 71.4 113.0 -88.8 2.6 32.2 6.8 15.9 88 88 A N S < S- 0 0 14 -3,-1.7 -15,-0.1 -14,-0.2 5,-0.0 -0.472 77.9-108.0 -61.3 143.0 34.1 3.6 16.8 89 89 A N > - 0 0 82 -2,-0.1 4,-3.4 1,-0.1 5,-0.3 -0.266 37.7 -92.8 -67.0 166.8 37.8 4.4 16.6 90 90 A A H > S+ 0 0 80 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.810 129.9 43.4 -52.9 -34.2 39.8 2.9 13.7 91 91 A f H > S+ 0 0 15 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.930 114.1 48.8 -77.6 -47.5 40.7 -0.1 15.9 92 92 A E H > S+ 0 0 46 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.817 111.9 51.1 -58.3 -33.4 37.2 -0.5 17.3 93 93 A A H X S+ 0 0 27 -4,-3.4 4,-3.0 2,-0.2 -1,-0.2 0.851 105.9 54.4 -75.9 -33.8 35.8 -0.3 13.8 94 94 A F H X S+ 0 0 66 -4,-1.3 4,-1.8 -5,-0.3 -2,-0.2 0.940 114.5 40.0 -64.0 -47.3 38.1 -3.0 12.4 95 95 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.943 111.2 56.6 -65.6 -51.2 37.0 -5.4 15.1 96 96 A g H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.944 110.2 47.9 -44.7 -48.2 33.4 -4.3 14.8 97 97 A N H X S+ 0 0 67 -4,-3.0 4,-3.2 1,-0.2 5,-0.3 0.856 107.9 53.4 -65.3 -32.2 33.7 -5.2 11.0 98 98 A e H X S+ 0 0 2 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.944 113.6 42.4 -61.8 -51.4 35.3 -8.6 11.5 99 99 A D H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.935 115.4 51.0 -62.7 -48.2 32.5 -9.6 13.8 100 100 A R H X S+ 0 0 56 -4,-2.8 4,-2.0 -5,-0.3 5,-0.3 0.959 112.2 44.8 -50.6 -60.3 29.9 -8.0 11.5 101 101 A N H X S+ 0 0 84 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.886 113.7 51.2 -58.1 -38.3 31.2 -9.9 8.4 102 102 A A H X S+ 0 0 4 -4,-2.4 4,-3.0 -5,-0.3 5,-0.2 0.917 108.2 51.8 -64.6 -40.9 31.4 -13.1 10.4 103 103 A A H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.949 115.3 40.6 -62.5 -42.5 27.9 -12.9 11.7 104 104 A I H X S+ 0 0 43 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.941 113.6 52.7 -70.8 -52.1 26.4 -12.3 8.2 105 105 A d H >X S+ 0 0 50 -4,-2.5 3,-1.4 -5,-0.3 4,-1.2 0.943 110.5 49.2 -41.2 -57.7 28.7 -14.9 6.7 106 106 A F H >< S+ 0 0 10 -4,-3.0 3,-0.7 1,-0.2 -2,-0.2 0.927 105.5 58.9 -47.2 -46.3 27.4 -17.4 9.4 107 107 A S H 3< S+ 0 0 49 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.692 112.3 38.3 -66.4 -16.3 23.8 -16.5 8.6 108 108 A K H << S+ 0 0 154 -3,-1.4 -1,-0.3 -4,-1.0 -2,-0.2 0.590 93.8 94.9-107.5 -16.6 24.3 -17.6 5.0 109 109 A A S << S- 0 0 13 -4,-1.2 2,-0.1 -3,-0.7 -70,-0.0 -0.506 82.2-108.7 -77.2 140.4 26.5 -20.7 5.3 110 110 A P - 0 0 71 0, 0.0 2,-0.7 0, 0.0 -69,-0.4 -0.467 29.4-129.2 -62.7 146.2 24.7 -24.1 5.4 111 111 A Y - 0 0 94 -2,-0.1 2,-0.7 -71,-0.1 5,-0.0 -0.875 23.2-170.8-104.4 111.4 24.9 -25.7 8.8 112 112 A N > - 0 0 58 -2,-0.7 3,-2.1 1,-0.2 4,-0.3 -0.875 13.4-158.6-107.0 108.8 26.1 -29.3 8.6 113 113 A K G > S+ 0 0 164 -2,-0.7 3,-2.2 1,-0.3 -1,-0.2 0.836 88.7 69.9 -54.2 -37.4 25.8 -31.2 11.9 114 114 A E G 3 S+ 0 0 131 1,-0.3 -1,-0.3 4,-0.0 -2,-0.0 0.692 98.6 53.6 -53.5 -19.6 28.5 -33.7 10.9 115 115 A H G X S+ 0 0 43 -3,-2.1 -89,-3.6 3,-0.1 3,-0.7 0.497 80.4 99.2-100.0 -8.7 31.0 -30.9 11.3 116 116 A K B < S+B 25 0A 60 -3,-2.2 -91,-0.3 -4,-0.3 -92,-0.1 -0.698 98.8 9.1 -80.0 129.7 30.1 -29.8 14.8 117 117 A N T 3 S- 0 0 103 -93,-3.3 -1,-0.3 -2,-0.4 2,-0.2 0.964 92.4-169.9 61.2 57.9 32.7 -31.4 17.1 118 118 A L < - 0 0 32 -3,-0.7 2,-1.7 -92,-0.4 3,-0.2 -0.465 35.2-112.2 -79.2 143.4 34.9 -32.6 14.4 119 119 A D >> + 0 0 74 1,-0.2 4,-2.2 -2,-0.2 3,-0.6 -0.687 44.1 179.2 -66.1 88.1 37.8 -34.9 15.0 120 120 A T H 3> S+ 0 0 65 -2,-1.7 4,-2.9 1,-0.2 -1,-0.2 0.941 71.3 63.1 -66.8 -45.6 40.2 -32.1 14.1 121 121 A K H 34 S+ 0 0 200 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.775 116.2 33.6 -44.1 -29.3 43.4 -34.1 14.7 122 122 A K H <4 S+ 0 0 143 -3,-0.6 -1,-0.2 1,-0.0 -2,-0.2 0.828 130.5 27.5-101.5 -39.1 42.2 -36.4 11.9 123 123 A Y H < 0 0 148 -4,-2.2 -87,-0.2 -88,-0.0 -3,-0.2 0.428 360.0 360.0-112.5 -0.6 40.4 -34.0 9.4 124 124 A b < 0 0 51 -4,-2.9 -88,-0.2 -5,-0.2 -89,-0.2 0.395 360.0 360.0-117.0 360.0 42.1 -30.8 9.9