==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-JUN-10 3NJU . COMPND 2 MOLECULE: PHOSPHOLIPASE A2 ISOFORM 3; . SOURCE 2 ORGANISM_SCIENTIFIC: NAJA SAGITTIFERA; . AUTHOR S.KAUSHIK,R.PREM KUMAR,M.SINHA,P.KAUR,S.SHARMA,T.P.SINGH . 119 1 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6803.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 77 64.7 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 7.6 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 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 37.8 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 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 N > 0 0 26 0, 0.0 4,-2.3 0, 0.0 63,-0.3 0.000 360.0 360.0 360.0 171.3 -0.2 -12.9 -10.1 2 2 A L H > + 0 0 73 61,-2.3 4,-2.5 1,-0.2 5,-0.2 0.848 360.0 55.4 -58.4 -40.2 -3.5 -13.1 -8.2 3 3 A Y H > S+ 0 0 142 60,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.920 109.6 47.4 -59.6 -40.5 -4.1 -16.7 -9.3 4 4 A Q H > S+ 0 0 18 -3,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.897 109.6 52.4 -68.7 -40.7 -0.7 -17.7 -7.9 5 5 A F H X S+ 0 0 20 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.930 107.6 52.4 -58.3 -46.5 -1.3 -15.9 -4.7 6 6 A K H X S+ 0 0 53 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.924 109.0 50.8 -54.1 -45.2 -4.6 -17.7 -4.2 7 7 A N H X S+ 0 0 45 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.897 107.2 53.0 -64.1 -38.2 -2.7 -21.0 -4.8 8 8 A M H X S+ 0 0 1 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.907 111.6 46.6 -56.1 -43.1 -0.2 -20.1 -2.2 9 9 A I H X S+ 0 0 8 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.923 109.9 52.6 -66.4 -45.7 -3.0 -19.4 0.3 10 10 A Q H < S+ 0 0 81 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.767 114.6 44.6 -59.8 -31.3 -4.8 -22.7 -0.7 11 11 A a H < S+ 0 0 52 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.810 119.0 38.4 -84.2 -30.3 -1.5 -24.5 0.0 12 12 A T H < S+ 0 0 35 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.745 128.8 31.4 -95.2 -21.6 -0.6 -22.8 3.3 13 13 A V >< + 0 0 13 -4,-3.0 3,-1.4 -5,-0.2 -1,-0.3 -0.593 68.0 159.0-126.4 68.9 -4.1 -22.6 4.8 14 14 A P T 3 + 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.786 66.2 70.7 -69.6 -15.8 -5.8 -25.7 3.4 15 15 A S T 3 S+ 0 0 107 -3,-0.1 2,-0.3 2,-0.1 -5,-0.1 0.772 96.5 55.5 -66.4 -27.3 -8.4 -25.6 6.1 16 17 A R S < S- 0 0 85 -3,-1.4 2,-0.3 -7,-0.2 -3,-0.1 -0.765 89.2-106.4-112.0 156.4 -10.2 -22.4 4.8 17 18 A S > - 0 0 71 -2,-0.3 3,-2.1 1,-0.2 4,-0.2 -0.586 35.0-128.5 -63.8 135.2 -11.7 -21.4 1.5 18 19 A W G > S+ 0 0 87 -2,-0.3 3,-2.3 1,-0.3 4,-0.3 0.804 104.7 70.9 -58.3 -30.3 -9.3 -19.0 0.0 19 20 A A G > S+ 0 0 35 1,-0.3 3,-1.0 2,-0.2 4,-0.4 0.668 79.0 78.3 -66.6 -11.8 -12.1 -16.5 -0.5 20 21 A D G < S+ 0 0 40 -3,-2.1 -1,-0.3 1,-0.2 3,-0.2 0.753 99.0 42.5 -61.9 -25.5 -12.2 -16.1 3.3 21 22 A F G < S+ 0 0 11 -3,-2.3 3,-0.4 -4,-0.2 -1,-0.2 0.398 95.5 79.4 -99.2 -3.2 -9.1 -13.9 2.8 22 23 A A S < S+ 0 0 44 -3,-1.0 8,-0.4 1,-0.3 -1,-0.1 0.535 106.2 25.0 -88.1 -6.8 -10.3 -11.9 -0.2 23 24 A D S S+ 0 0 52 -4,-0.4 88,-2.8 -3,-0.2 2,-0.4 -0.507 89.0 131.1-153.6 74.2 -12.5 -9.5 1.7 24 25 A Y B > -AB 28 110A 0 4,-2.2 4,-2.1 -3,-0.4 3,-0.4 -0.991 62.2 -30.4-135.5 132.9 -11.2 -9.2 5.3 25 26 A G T 4 S- 0 0 1 84,-3.2 87,-0.3 -2,-0.4 6,-0.1 -0.162 100.9 -51.8 64.0-159.8 -10.5 -6.3 7.6 26 27 A b T 4 S+ 0 0 2 9,-0.1 7,-0.8 1,-0.1 -1,-0.2 0.694 135.9 33.2 -84.6 -20.4 -9.3 -3.0 6.0 27 28 A Y T 4 S+ 0 0 17 -3,-0.4 2,-1.0 5,-0.2 -2,-0.2 0.599 86.2 94.4-118.0 -18.5 -6.5 -4.5 3.9 28 29 A c B < S-A 24 0A 5 -4,-2.1 -4,-2.2 2,-0.0 2,-0.3 -0.728 96.3 -7.0 -85.1 108.3 -7.3 -8.0 2.7 29 30 A G S S- 0 0 27 -2,-1.0 -6,-0.2 -6,-0.2 -7,-0.1 -0.816 129.4 -11.1 112.6-154.6 -8.8 -7.6 -0.8 30 31 A K S S+ 0 0 212 -8,-0.4 -1,-0.2 -2,-0.3 -7,-0.1 0.760 111.6 96.6 -50.6 -28.4 -9.8 -4.4 -2.7 31 32 A G + 0 0 12 -3,-0.2 -2,-0.2 -6,-0.1 -7,-0.1 -0.342 39.1 161.1 -70.9 143.9 -9.3 -2.4 0.4 32 33 A G + 0 0 55 86,-0.1 2,-0.3 -4,-0.1 -5,-0.2 0.034 44.6 68.3-149.5 52.6 -6.1 -0.6 1.3 33 34 A S + 0 0 63 -7,-0.8 86,-0.1 2,-0.1 2,-0.1 -0.955 63.4 44.8-150.7 170.5 -6.5 2.2 4.0 34 35 A G S S- 0 0 20 85,-0.4 84,-0.1 -2,-0.3 85,-0.1 -0.305 92.3 -39.6 92.8-179.2 -7.2 2.7 7.8 35 36 A T - 0 0 104 82,-0.3 -9,-0.1 -2,-0.1 -2,-0.1 -0.751 67.3-111.5 -84.3 131.2 -5.9 1.0 11.0 36 37 A P - 0 0 12 0, 0.0 6,-0.1 0, 0.0 -11,-0.1 -0.398 23.3-139.8 -61.5 141.7 -5.6 -2.7 10.5 37 38 A V - 0 0 51 72,-0.1 2,-0.3 1,-0.1 -12,-0.1 0.697 69.4 -17.8 -83.5 -21.3 -8.3 -4.4 12.7 38 39 A D S > S- 0 0 33 71,-0.1 4,-2.1 1,-0.0 5,-0.2 -0.939 85.1 -70.0-167.4-177.1 -6.2 -7.3 13.9 39 40 A D H > S+ 0 0 112 -2,-0.3 4,-1.8 2,-0.2 5,-0.1 0.867 126.5 51.8 -61.1 -38.3 -3.1 -9.4 13.3 40 41 A L H > S+ 0 0 1 64,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.932 110.0 49.4 -64.9 -43.6 -4.5 -11.0 10.1 41 42 A D H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.864 105.8 57.7 -64.2 -34.1 -5.4 -7.6 8.6 42 43 A R H X S+ 0 0 119 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.889 102.3 55.1 -60.1 -43.0 -1.8 -6.4 9.6 43 44 A d H X S+ 0 0 6 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.906 110.8 45.7 -53.5 -42.6 -0.5 -9.3 7.3 44 45 A c H X S+ 0 0 3 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.874 107.9 55.4 -73.4 -29.9 -2.6 -7.8 4.5 45 46 A Q H X S+ 0 0 48 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.927 109.9 46.3 -65.3 -45.5 -1.5 -4.3 5.2 46 47 A T H X S+ 0 0 95 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.939 112.6 51.4 -63.6 -39.4 2.2 -5.4 4.8 47 48 A H H X S+ 0 0 13 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.925 110.6 48.0 -63.0 -43.6 1.3 -7.3 1.7 48 49 A D H X S+ 0 0 27 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.913 113.0 47.5 -62.4 -47.0 -0.5 -4.3 0.2 49 50 A N H X S+ 0 0 92 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.895 108.9 55.4 -62.7 -33.4 2.5 -2.0 1.0 50 51 A e H X S+ 0 0 41 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.925 108.0 48.4 -65.6 -43.7 4.8 -4.7 -0.5 51 52 A Y H X S+ 0 0 6 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.917 109.0 53.4 -59.2 -42.7 2.8 -4.5 -3.8 52 53 A N H X S+ 0 0 89 -4,-2.2 4,-0.5 1,-0.2 -2,-0.2 0.900 110.9 47.1 -65.0 -33.9 3.0 -0.7 -3.7 53 54 A E H >< S+ 0 0 134 -4,-2.2 3,-1.4 1,-0.2 4,-0.3 0.939 110.0 51.6 -70.8 -41.6 6.8 -0.9 -3.4 54 55 A A H >< S+ 0 0 3 -4,-2.6 3,-2.1 1,-0.3 -2,-0.2 0.853 98.4 67.7 -63.9 -32.8 7.1 -3.5 -6.1 55 56 A E H 3< S+ 0 0 89 -4,-2.2 5,-0.3 1,-0.3 -1,-0.3 0.734 85.6 70.5 -54.2 -26.7 5.0 -1.2 -8.4 56 57 A N T << S+ 0 0 125 -3,-1.4 2,-0.3 -4,-0.5 -1,-0.3 0.704 78.3 92.9 -66.8 -18.5 7.9 1.2 -8.4 57 58 A I S X S- 0 0 56 -3,-2.1 3,-2.3 -4,-0.3 2,-0.1 -0.603 96.8-100.7 -75.7 135.6 9.9 -1.3 -10.5 58 59 A S T 3 S+ 0 0 115 -2,-0.3 27,-0.1 1,-0.3 -1,-0.1 -0.333 103.6 4.2 -64.9 130.0 9.4 -0.4 -14.2 59 60 A G T 3 S+ 0 0 53 1,-0.2 2,-0.7 -4,-0.2 -1,-0.3 0.575 93.1 141.8 76.7 10.6 6.8 -2.7 -15.8 60 61 A f < + 0 0 6 -3,-2.3 -1,-0.2 -5,-0.3 -3,-0.1 -0.792 21.6 172.2 -95.8 119.0 6.0 -4.4 -12.5 61 62 A R >> - 0 0 157 -2,-0.7 4,-2.5 1,-0.1 3,-2.0 -0.866 14.3-165.1-127.7 89.4 2.3 -5.2 -12.1 62 63 A P T 34 S+ 0 0 2 0, 0.0 -1,-0.1 0, 0.0 -10,-0.0 0.814 86.1 50.8 -55.4 -34.7 1.9 -7.4 -8.9 63 64 A Y T 34 S+ 0 0 112 -62,-0.2 -61,-2.3 1,-0.2 -60,-0.3 0.733 125.0 29.6 -70.4 -19.6 -1.7 -8.6 -9.6 64 65 A F T <4 S+ 0 0 148 -3,-2.0 2,-0.4 -63,-0.3 -1,-0.2 0.641 86.7 109.4-117.7 -19.0 -0.6 -9.7 -13.2 65 66 A K < - 0 0 65 -4,-2.5 2,-0.7 1,-0.1 -5,-0.0 -0.454 58.7-145.0 -70.0 122.7 3.1 -10.7 -13.1 66 67 A T - 0 0 90 -2,-0.4 2,-0.2 -62,-0.0 20,-0.1 -0.743 25.8-178.4 -87.2 113.5 3.4 -14.4 -13.4 67 68 A Y - 0 0 9 -2,-0.7 2,-0.5 19,-0.1 20,-0.0 -0.489 29.1-106.0-101.8-179.8 6.4 -15.5 -11.3 68 69 A S + 0 0 25 11,-0.2 11,-2.0 -2,-0.2 2,-0.3 -0.949 52.7 142.4-111.3 126.3 8.0 -18.9 -10.8 69 70 A Y E -C 78 0B 48 -2,-0.5 2,-0.3 9,-0.2 9,-0.2 -0.945 33.6-141.9-152.6 166.2 7.3 -20.6 -7.4 70 71 A E E -C 77 0B 80 7,-2.3 7,-2.6 -2,-0.3 2,-0.5 -0.994 4.2-166.5-135.2 144.8 6.7 -24.0 -5.9 71 72 A a E +C 76 0B 33 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.956 32.2 143.8-127.3 111.1 4.4 -25.2 -3.1 72 73 A T E > -C 75 0B 67 3,-2.3 3,-1.8 -2,-0.5 -2,-0.1 -0.982 60.3 -3.1-150.2 133.6 5.2 -28.7 -1.9 73 74 A Q T 3 S- 0 0 197 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.829 129.3 -49.1 60.2 37.6 5.3 -30.7 1.3 74 75 A G T 3 S+ 0 0 74 1,-0.2 2,-0.4 -63,-0.1 -1,-0.3 0.505 116.0 106.3 87.5 2.5 4.3 -27.6 3.4 75 76 A T E < -C 72 0B 82 -3,-1.8 -3,-2.3 2,-0.0 2,-0.5 -0.961 53.3-152.0-124.0 137.2 6.9 -25.2 1.9 76 77 A L E -C 71 0B 18 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.895 17.0-173.3-100.5 134.1 6.7 -22.3 -0.5 77 78 A T E -C 70 0B 63 -7,-2.6 -7,-2.3 -2,-0.5 2,-0.5 -0.991 19.7-148.4-129.6 131.0 9.7 -21.5 -2.6 78 79 A g E -C 69 0B 37 -2,-0.4 -9,-0.2 -9,-0.2 2,-0.1 -0.849 36.3-127.2 -91.1 126.3 10.3 -18.5 -4.9 79 80 A K > - 0 0 90 -11,-2.0 3,-1.2 -2,-0.5 -11,-0.2 -0.321 7.8-118.0 -83.0 160.6 12.5 -19.9 -7.7 80 81 A G T 3 S+ 0 0 84 1,-0.2 -1,-0.1 -2,-0.1 7,-0.1 0.699 102.9 73.2 -65.3 -20.3 15.8 -18.5 -8.9 81 82 A D T 3 S+ 0 0 125 5,-0.0 2,-0.2 6,-0.0 -1,-0.2 0.524 73.3 113.5 -73.7 -1.6 14.6 -17.8 -12.5 82 83 A N < - 0 0 27 -3,-1.2 -15,-0.1 -14,-0.2 -4,-0.0 -0.492 62.0-136.8 -79.3 131.2 12.6 -14.8 -11.3 83 84 A N > - 0 0 88 -2,-0.2 4,-3.3 1,-0.1 5,-0.3 -0.138 42.6 -84.2 -71.2 180.0 13.6 -11.3 -12.4 84 85 A A H > S+ 0 0 69 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.914 130.9 45.4 -62.3 -41.3 13.6 -8.4 -9.9 85 86 A f H > S+ 0 0 10 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.958 115.7 45.6 -63.6 -53.0 9.8 -7.8 -10.3 86 87 A A H > S+ 0 0 2 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.928 113.0 50.8 -57.2 -39.5 8.9 -11.5 -10.1 87 88 A A H X S+ 0 0 43 -4,-3.3 4,-2.2 1,-0.2 -1,-0.2 0.913 112.8 45.1 -68.9 -40.9 11.1 -12.1 -7.2 88 89 A S H X S+ 0 0 51 -4,-2.2 4,-2.7 -5,-0.3 -1,-0.2 0.948 115.9 45.5 -64.8 -53.0 9.7 -9.1 -5.2 89 90 A V H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.934 113.4 49.4 -60.2 -43.0 6.1 -10.0 -6.0 90 91 A g H X S+ 0 0 0 -4,-3.0 4,-2.9 -5,-0.3 -1,-0.2 0.912 111.4 50.7 -61.1 -40.2 6.6 -13.7 -5.2 91 92 A D H X S+ 0 0 60 -4,-2.2 4,-2.7 -5,-0.3 5,-0.3 0.916 108.0 51.9 -63.9 -41.6 8.3 -12.7 -1.9 92 93 A e H X S+ 0 0 4 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.923 115.0 43.2 -54.0 -51.5 5.3 -10.4 -1.0 93 94 A D H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.924 113.0 50.3 -67.2 -42.1 2.9 -13.3 -1.7 94 95 A R H X S+ 0 0 67 -4,-2.9 4,-2.2 2,-0.2 5,-0.2 0.937 112.7 46.8 -62.1 -49.4 5.0 -16.0 0.1 95 96 A L H X S+ 0 0 87 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.902 113.7 48.1 -64.2 -34.6 5.4 -13.9 3.2 96 97 A A H X S+ 0 0 4 -4,-1.9 4,-2.8 -5,-0.3 -1,-0.2 0.918 109.6 51.7 -70.3 -44.0 1.7 -13.0 3.3 97 98 A A H X S+ 0 0 0 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.915 113.0 46.7 -59.1 -39.2 0.6 -16.7 2.8 98 99 A I H X S+ 0 0 85 -4,-2.2 4,-1.1 1,-0.2 3,-0.2 0.935 111.7 50.6 -67.4 -45.6 2.9 -17.7 5.7 99 100 A d H >X S+ 0 0 53 -4,-2.5 4,-0.7 1,-0.2 3,-0.6 0.893 107.5 54.8 -58.3 -42.2 1.5 -14.8 7.8 100 101 A F H >< S+ 0 0 8 -4,-2.8 3,-1.0 1,-0.3 -1,-0.2 0.896 103.6 55.0 -58.8 -36.2 -2.1 -15.9 7.0 101 102 A A H 3< S+ 0 0 57 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.791 111.7 44.2 -70.3 -31.6 -1.3 -19.4 8.3 102 103 A G H << S+ 0 0 71 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.477 98.0 88.4 -93.4 -4.3 -0.2 -18.0 11.7 103 104 A A S << S- 0 0 19 -3,-1.0 2,-0.0 -4,-0.7 -65,-0.0 -0.752 78.9-110.6-102.8 143.2 -2.9 -15.4 12.3 104 105 A P - 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