==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 13-SEP-12 4H2Y . COMPND 2 MOLECULE: AMINO ACID--[ACYL-CARRIER-PROTEIN] LIGASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: BRADYRHIZOBIUM JAPONICUM; . AUTHOR M.LUIC,I.WEYGAND-DURASEVIC,N.IVIC,M.MOCIBOB . 731 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29835.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 518 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 121 16.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 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-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 40 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 226 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.1 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 4 0 8 0 1 1 1 1 3 3 2 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 2 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 2 5 3 3 2 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 0 0 2 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 18 A D > 0 0 68 0, 0.0 3,-1.0 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 119.8 7.2 9.6 32.0 2 19 A P T 3 + 0 0 60 0, 0.0 3,-0.4 0, 0.0 4,-0.1 0.694 360.0 59.8 -58.2 -26.6 4.5 12.4 31.7 3 20 A L T > S+ 0 0 0 1,-0.2 3,-2.8 2,-0.1 4,-0.4 0.776 81.7 84.1 -77.4 -26.8 1.8 9.9 32.4 4 21 A D G X S+ 0 0 85 -3,-1.0 3,-1.7 1,-0.3 4,-0.4 0.782 81.0 60.8 -49.2 -40.1 3.1 8.8 35.9 5 22 A H G 3 S+ 0 0 141 -3,-0.4 -1,-0.3 -4,-0.3 4,-0.3 0.657 95.4 64.7 -67.2 -14.4 1.5 11.7 37.7 6 23 A L G X> S+ 0 0 4 -3,-2.8 4,-1.3 1,-0.2 3,-1.1 0.707 82.1 81.1 -76.2 -20.8 -1.9 10.4 36.6 7 24 A A H X> S+ 0 0 34 -3,-1.7 4,-2.9 -4,-0.4 3,-0.6 0.887 79.8 62.9 -55.4 -45.9 -1.5 7.2 38.6 8 25 A D H 34 S+ 0 0 84 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.790 113.5 33.3 -53.7 -33.3 -2.6 8.7 42.0 9 26 A K H <4 S+ 0 0 124 -3,-1.1 17,-0.4 -4,-0.3 -1,-0.3 0.676 127.3 36.4 -98.5 -17.2 -6.1 9.5 40.8 10 27 A L H << S+ 0 0 0 -4,-1.3 13,-2.4 -3,-0.6 2,-0.3 0.741 113.9 29.2-104.5 -31.7 -6.7 6.6 38.4 11 28 A F E < -A 22 0A 12 -4,-2.9 2,-0.4 11,-0.2 11,-0.2 -0.889 49.6-151.3-137.8 153.2 -5.0 3.5 39.8 12 29 A H E -A 21 0A 50 9,-1.8 9,-2.5 -2,-0.3 405,-0.1 -0.994 38.6-104.8-122.9 142.1 -3.9 1.6 42.9 13 30 A S E -A 20 0A 84 -2,-0.4 7,-0.1 7,-0.2 4,-0.1 -0.252 26.2-174.2 -58.9 144.3 -1.0 -0.8 42.9 14 31 A M - 0 0 1 5,-0.7 338,-0.6 2,-0.3 341,-0.2 0.025 58.7 -97.1-124.1 18.5 -1.7 -4.5 42.9 15 32 A G S S+ 0 0 46 1,-0.1 2,-0.3 336,-0.1 339,-0.1 0.761 97.7 89.6 72.5 27.8 1.9 -5.5 43.3 16 33 A S S > S- 0 0 9 3,-0.5 3,-2.1 336,-0.1 -2,-0.3 -0.896 80.3-111.3-157.7 124.8 2.5 -6.1 39.6 17 34 A D T 3 S+ 0 0 60 -2,-0.3 130,-0.2 1,-0.3 127,-0.1 -0.280 104.8 13.0 -53.8 129.3 3.7 -3.9 36.8 18 35 A G T 3 S+ 0 0 1 128,-0.2 135,-1.9 127,-0.1 136,-1.3 0.526 106.2 97.6 81.4 5.4 0.8 -3.3 34.3 19 36 A V < + 0 0 1 -3,-2.1 -5,-0.7 133,-0.2 -3,-0.5 -0.941 52.1 164.2-128.3 106.2 -1.8 -4.7 36.6 20 37 A Y E -A 13 0A 32 -2,-0.5 2,-0.3 134,-0.2 -7,-0.2 -0.939 40.8-119.1-129.4 148.4 -3.8 -2.1 38.5 21 38 A A E -A 12 0A 0 -9,-2.5 -9,-1.8 -2,-0.3 2,-0.5 -0.653 37.8-131.4 -73.8 137.2 -6.9 -1.5 40.5 22 39 A R E -AB 11 346A 8 324,-3.1 324,-1.9 -2,-0.3 -11,-0.2 -0.807 13.5-136.0 -98.6 128.2 -9.1 1.1 38.8 23 40 A T E > - B 0 345A 18 -13,-2.4 4,-2.6 -2,-0.5 5,-0.2 -0.255 27.6-107.1 -74.7 165.8 -10.6 4.0 40.8 24 41 A A H > S+ 0 0 58 320,-0.5 4,-2.5 1,-0.2 5,-0.2 0.877 120.9 54.8 -59.2 -40.5 -14.2 5.1 40.4 25 42 A L H > S+ 0 0 44 -16,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.957 110.9 44.2 -57.3 -51.6 -13.1 8.2 38.5 26 43 A Y H >> S+ 0 0 0 -17,-0.4 4,-2.3 1,-0.2 3,-0.6 0.930 114.6 48.5 -60.0 -48.0 -11.1 6.1 36.0 27 44 A E H 3X S+ 0 0 38 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.847 103.5 61.3 -66.6 -31.6 -13.9 3.6 35.5 28 45 A S H 3X S+ 0 0 47 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.2 0.855 109.1 42.7 -63.5 -31.9 -16.5 6.3 35.0 29 46 A I H < S+ 0 0 4 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.930 109.6 52.6 -60.6 -42.2 -18.3 3.8 20.9 38 55 A T H >< S+ 0 0 48 -4,-2.2 3,-1.7 1,-0.3 -1,-0.2 0.859 100.0 62.5 -59.4 -36.8 -21.7 1.9 21.1 39 56 A S H 3< S+ 0 0 82 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.682 104.3 48.9 -68.2 -15.0 -23.5 5.0 19.9 40 57 A H T << S+ 0 0 49 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.328 79.0 132.4-102.6 5.9 -21.5 4.7 16.6 41 58 A R < - 0 0 96 -3,-1.7 2,-0.1 -4,-0.2 3,-0.1 -0.281 56.7-123.7 -56.6 136.5 -22.2 1.0 16.0 42 59 A E > - 0 0 20 1,-0.1 3,-0.8 2,-0.1 -1,-0.1 -0.433 35.5 -77.2 -86.0 163.1 -23.3 0.4 12.5 43 60 A A T 3 S+ 0 0 94 1,-0.2 -1,-0.1 -2,-0.1 0, 0.0 -0.191 110.6 22.8 -54.5 143.1 -26.6 -1.2 11.4 44 61 A G T 3 S+ 0 0 74 1,-0.2 89,-0.6 -3,-0.1 2,-0.4 0.709 82.9 151.3 79.1 20.8 -27.0 -5.0 11.6 45 62 A T E < -i 133 0B 27 -3,-0.8 2,-0.5 87,-0.1 89,-0.2 -0.737 36.8-146.5 -95.8 129.6 -24.2 -5.5 14.2 46 63 A E E -i 134 0B 61 87,-2.8 89,-2.7 -2,-0.4 2,-0.5 -0.828 14.9-143.3 -96.7 125.5 -24.4 -8.5 16.6 47 64 A A E +i 135 0B 17 -2,-0.5 274,-0.5 87,-0.2 2,-0.4 -0.759 22.7 173.3 -93.6 127.9 -23.0 -7.8 20.0 48 65 A L E -iJ 136 320B 0 87,-3.1 89,-0.8 -2,-0.5 2,-0.5 -0.984 17.7-152.9-130.9 143.6 -21.1 -10.5 21.9 49 66 A R E -iJ 137 319B 46 270,-2.0 270,-2.6 -2,-0.4 89,-0.2 -0.971 13.3-158.3-120.6 124.7 -19.1 -10.3 25.2 50 67 A F - 0 0 9 87,-2.6 89,-0.4 -2,-0.5 268,-0.1 -0.723 15.5-122.1-104.0 147.9 -16.3 -12.7 25.8 51 68 A P - 0 0 1 0, 0.0 59,-0.1 0, 0.0 -1,-0.1 -0.230 39.1 -97.2 -74.9 174.7 -14.8 -13.7 29.2 52 69 A P S S+ 0 0 8 0, 0.0 58,-1.6 0, 0.0 2,-0.3 0.438 104.6 59.4 -79.5 5.2 -11.1 -13.1 29.8 53 70 A V E -Q 109 0C 1 56,-0.3 2,-0.3 87,-0.0 56,-0.2 -0.916 61.6-178.6-127.1 156.0 -10.2 -16.7 28.9 54 71 A M E -Q 108 0C 2 54,-2.8 54,-2.8 -2,-0.3 2,-0.2 -0.935 40.8 -67.8-145.5 172.8 -10.6 -18.7 25.7 55 72 A S E > -Q 107 0C 7 256,-0.6 4,-2.0 -2,-0.3 52,-0.3 -0.380 30.6-149.6 -65.4 126.1 -10.0 -22.2 24.3 56 73 A R H > S+ 0 0 48 50,-2.2 4,-2.8 2,-0.2 5,-0.2 0.907 100.5 55.5 -58.9 -38.7 -6.3 -23.0 23.9 57 74 A A H > S+ 0 0 60 49,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.921 106.7 49.5 -63.0 -41.7 -7.3 -25.2 21.0 58 75 A Q H > S+ 0 0 27 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.906 112.6 47.4 -63.9 -39.1 -9.1 -22.3 19.3 59 76 A L H <>S+ 0 0 2 -4,-2.0 5,-1.5 2,-0.2 4,-0.5 0.880 111.0 50.4 -72.3 -37.3 -6.1 -20.1 19.7 60 77 A E H ><5S+ 0 0 35 -4,-2.8 3,-1.3 1,-0.2 5,-0.2 0.930 111.3 50.0 -60.1 -45.0 -3.6 -22.7 18.5 61 78 A K H 3<5S+ 0 0 121 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.825 101.8 62.1 -65.3 -29.2 -5.8 -23.2 15.4 62 79 A S T 3<5S- 0 0 4 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.639 114.3-114.2 -74.8 -11.9 -5.9 -19.4 14.8 63 80 A G T X>5S+ 0 0 20 -3,-1.3 3,-1.2 -4,-0.5 4,-0.6 0.576 70.2 140.1 93.1 11.2 -2.2 -19.4 14.3 64 81 A Y H >>< + 0 0 6 -5,-1.5 4,-2.9 1,-0.3 3,-0.8 0.821 68.0 58.0 -59.8 -32.3 -1.3 -17.3 17.3 65 82 A L H 34 S+ 0 0 7 -6,-0.3 -1,-0.3 1,-0.2 321,-0.1 0.740 102.0 56.0 -70.8 -25.0 1.8 -19.4 18.1 66 83 A K H <4 S+ 0 0 62 -3,-1.2 -1,-0.2 -6,-0.2 -2,-0.2 0.655 121.8 26.6 -74.7 -18.2 3.2 -18.6 14.7 67 84 A S H << S+ 0 0 8 -3,-0.8 134,-2.9 -4,-0.6 -2,-0.2 0.832 135.9 9.0-112.8 -52.1 3.0 -14.9 15.4 68 85 A F >X + 0 0 20 -4,-2.9 3,-2.4 132,-0.2 4,-0.7 -0.214 63.6 145.5-131.6 46.9 3.1 -13.9 19.1 69 86 A P G >4 S+ 0 0 3 0, 0.0 3,-0.7 0, 0.0 306,-0.5 0.834 75.8 58.9 -57.6 -32.8 4.1 -17.0 21.2 70 87 A N G 34 S+ 0 0 35 1,-0.2 -5,-0.1 -3,-0.1 -2,-0.1 0.628 103.6 52.3 -69.7 -15.2 6.0 -14.8 23.6 71 88 A L G <4 S+ 0 0 20 -3,-2.4 72,-2.2 71,-0.1 -1,-0.2 0.625 84.1 110.1 -96.1 -15.3 2.9 -12.7 24.4 72 89 A L << - 0 0 7 -3,-0.7 2,-0.5 -4,-0.7 303,-0.4 -0.334 52.4-153.9 -72.7 137.7 0.5 -15.5 25.4 73 90 A G E -R 109 0C 0 36,-0.5 36,-2.7 68,-0.3 2,-0.4 -0.957 15.2-161.5-105.5 122.1 -0.7 -16.2 28.9 74 91 A C E -RS 108 373C 1 299,-3.6 299,-2.3 -2,-0.5 2,-0.6 -0.824 18.2-123.1-102.7 141.9 -1.7 -19.9 29.4 75 92 A V E + S 0 372C 0 32,-2.3 30,-3.0 -2,-0.4 32,-0.4 -0.728 36.5 176.6 -84.2 125.4 -3.9 -21.0 32.2 76 93 A C E +RS 104 371C 4 295,-2.7 295,-3.8 -2,-0.6 2,-0.3 -0.921 2.4 171.7-125.6 156.5 -2.3 -23.7 34.4 77 94 A G E -R 103 0C 1 26,-2.4 26,-2.4 -2,-0.3 2,-0.9 -0.916 44.1 -87.7-150.2 174.1 -3.3 -25.5 37.5 78 95 A L E +R 102 0C 5 288,-0.6 24,-0.1 291,-0.4 7,-0.1 -0.831 47.6 169.3 -88.7 105.4 -2.6 -28.3 40.0 79 96 A H + 0 0 89 -2,-0.9 -1,-0.1 22,-0.5 23,-0.1 0.540 35.6 99.6-101.0 -7.3 -4.4 -31.2 38.4 80 97 A G S S- 0 0 32 21,-0.2 2,-0.1 1,-0.1 -2,-0.0 0.465 77.3 -72.6 -68.1-156.7 -3.3 -34.2 40.4 81 98 A T > - 0 0 79 1,-0.0 4,-3.4 4,-0.0 5,-0.3 -0.441 55.9 -89.4 -92.6 175.2 -4.8 -36.3 43.2 82 99 A E H > S+ 0 0 84 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.873 129.2 43.2 -56.6 -42.3 -5.1 -35.1 46.8 83 100 A R H > S+ 0 0 209 2,-0.2 4,-2.6 3,-0.2 -1,-0.2 0.893 114.1 51.6 -69.7 -42.0 -1.7 -36.4 47.8 84 101 A E H > S+ 0 0 109 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.964 114.6 42.5 -57.3 -52.1 -0.1 -35.0 44.7 85 102 A I H X S+ 0 0 7 -4,-3.4 4,-2.7 1,-0.2 -2,-0.2 0.925 113.6 51.6 -63.5 -44.1 -1.7 -31.6 45.3 86 103 A N H X S+ 0 0 57 -4,-2.7 4,-3.3 -5,-0.3 -1,-0.2 0.869 106.5 56.3 -59.7 -36.2 -0.8 -31.7 49.0 87 104 A A H X S+ 0 0 43 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.943 108.3 46.3 -58.3 -50.9 2.8 -32.6 48.0 88 105 A A H X S+ 0 0 0 -4,-2.0 4,-1.3 2,-0.2 3,-0.2 0.964 115.2 46.5 -56.0 -53.3 3.0 -29.4 45.9 89 106 A V H >X S+ 0 0 10 -4,-2.7 4,-2.2 1,-0.2 3,-0.7 0.911 108.6 55.5 -55.6 -47.0 1.5 -27.3 48.7 90 107 A S H 3X S+ 0 0 70 -4,-3.3 4,-2.8 1,-0.3 -1,-0.2 0.886 102.9 56.4 -54.0 -41.9 3.8 -28.9 51.3 91 108 A R H 3X>S+ 0 0 79 -4,-2.1 5,-3.6 2,-0.2 4,-0.7 0.849 106.6 50.3 -59.2 -35.6 6.8 -27.9 49.2 92 109 A F H X<5S+ 0 0 64 -4,-1.3 3,-0.9 -3,-0.7 -2,-0.2 0.938 111.9 45.8 -68.3 -48.8 5.5 -24.3 49.4 93 110 A D H 3<5S+ 0 0 102 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.879 111.0 56.0 -56.8 -37.7 5.1 -24.5 53.2 94 111 A A H 3<5S- 0 0 86 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.678 123.8-105.1 -71.2 -17.5 8.6 -26.1 53.2 95 112 A G T <<5S+ 0 0 68 -3,-0.9 -3,-0.2 -4,-0.7 -2,-0.1 0.507 86.5 110.8 101.1 7.6 10.1 -23.1 51.4 96 113 A G S + 0 0 80 1,-0.1 3,-0.9 -3,-0.1 -5,-0.1 -0.899 32.4 179.3-121.4 105.1 8.5 -24.4 44.8 98 115 A W G > S+ 0 0 4 -2,-0.6 3,-2.0 1,-0.2 -1,-0.1 0.762 73.9 78.8 -70.3 -24.2 5.0 -25.7 44.4 99 116 A T G > S+ 0 0 10 1,-0.3 3,-1.9 2,-0.2 -1,-0.2 0.663 73.0 77.9 -65.6 -14.5 4.7 -24.3 40.8 100 117 A T G < S+ 0 0 98 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.1 0.695 89.0 58.9 -68.9 -16.9 6.7 -27.3 39.4 101 118 A S G < S+ 0 0 49 -3,-2.0 -22,-0.5 -4,-0.1 -1,-0.3 0.375 80.6 118.2 -89.7 4.4 3.5 -29.3 39.7 102 119 A L E < - R 0 78C 30 -3,-1.9 -24,-0.2 -24,-0.1 -26,-0.0 -0.463 41.0-175.7 -71.6 140.1 1.5 -27.0 37.4 103 120 A S E - R 0 77C 46 -26,-2.4 -26,-2.4 -2,-0.1 -2,-0.0 -0.983 30.7 -95.0-133.4 152.1 0.2 -28.4 34.2 104 121 A P E - R 0 76C 42 0, 0.0 -28,-0.3 0, 0.0 2,-0.1 -0.301 30.7-148.2 -70.3 142.6 -1.6 -26.6 31.4 105 122 A A E - 0 0 7 -30,-3.0 -30,-0.1 2,-0.3 265,-0.0 -0.340 35.9 -98.8 -84.6-178.1 -5.4 -26.4 31.2 106 123 A D E S+ 0 0 77 -2,-0.1 -50,-2.2 -50,-0.1 -49,-0.4 0.074 98.7 85.0 -86.2 22.4 -7.4 -26.3 27.9 107 124 A L E -Q 55 0C 0 -32,-0.4 -32,-2.3 -52,-0.3 -2,-0.3 -0.937 51.9-173.9-128.5 147.2 -7.6 -22.5 28.4 108 125 A V E -QR 54 74C 0 -54,-2.8 -54,-2.8 -2,-0.3 2,-0.4 -0.913 39.0 -99.7-125.7 163.5 -5.5 -19.4 27.7 109 126 A L E -QR 53 73C 5 -36,-2.7 -36,-0.5 -2,-0.3 -56,-0.3 -0.705 53.6-103.1 -76.5 128.4 -6.0 -15.7 28.6 110 127 A S - 0 0 0 -58,-1.6 31,-2.1 -2,-0.4 3,-0.1 -0.361 30.2-164.4 -59.0 122.5 -7.5 -14.1 25.5 111 128 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.678 75.3 7.4 -82.1 -17.1 -4.8 -12.0 23.7 112 129 A A S S- 0 0 9 27,-0.1 3,-0.4 1,-0.1 27,-0.1 -0.969 73.1-118.5-161.0 155.3 -7.4 -10.1 21.6 113 130 A A S S+ 0 0 0 -2,-0.3 4,-0.2 1,-0.2 24,-0.2 0.779 100.3 59.1 -72.1 -29.6 -11.1 -9.8 21.6 114 131 A C S >> S+ 0 0 7 1,-0.2 3,-2.3 2,-0.1 4,-0.7 0.746 77.0 87.8 -77.5 -26.5 -12.0 -11.1 18.1 115 132 A Y T >4 S+ 0 0 29 -3,-0.4 3,-0.9 1,-0.3 -1,-0.2 0.835 87.7 49.6 -48.0 -45.1 -10.5 -14.6 18.1 116 133 A P T 3> S+ 0 0 1 0, 0.0 4,-1.0 0, 0.0 -1,-0.3 0.694 99.1 69.3 -70.6 -13.7 -13.6 -16.4 19.5 117 134 A V H <> S+ 0 0 0 -3,-2.3 4,-2.5 -4,-0.2 -2,-0.2 0.829 87.9 63.9 -74.6 -28.1 -15.9 -14.8 17.0 118 135 A Y H S+ 0 0 20 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.861 113.6 55.5 -67.5 -26.9 -15.6 -20.2 14.9 120 137 A I H < S+ 0 0 10 -4,-1.0 4,-0.2 2,-0.2 -2,-0.2 0.926 110.1 44.1 -65.8 -42.8 -18.9 -18.7 16.0 121 138 A A H >< S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.932 111.6 54.2 -65.1 -45.1 -19.4 -17.2 12.6 122 139 A A H >< S+ 0 0 26 -4,-2.7 3,-2.1 1,-0.3 -2,-0.2 0.886 97.0 65.7 -56.8 -40.5 -18.3 -20.5 10.9 123 140 A S T 3< S+ 0 0 97 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.573 94.0 61.5 -61.3 -10.5 -20.8 -22.5 12.8 124 141 A R T < S- 0 0 100 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.388 104.4-126.9 -98.3 1.5 -23.7 -20.7 11.0 125 142 A G < + 0 0 32 -3,-2.1 -1,-0.3 -4,-0.1 126,-0.2 -0.430 63.5 4.7 85.9-163.3 -22.8 -21.8 7.5 126 143 A P S S- 0 0 103 0, 0.0 126,-0.2 0, 0.0 127,-0.1 -0.173 82.4-106.7 -54.4 145.7 -22.2 -19.6 4.5 127 144 A L - 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