==== 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 4H2W . 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 . 744 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30388.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 530 71.2 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 . 119 16.0 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 . 1 0.1 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 . 43 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 237 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.3 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 5 0 6 2 0 2 0 1 5 3 1 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 . 4 0 5 4 2 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 65 0, 0.0 3,-1.5 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 134.3 7.5 9.3 32.4 2 19 A P T 3 + 0 0 66 0, 0.0 3,-0.3 0, 0.0 4,-0.1 0.665 360.0 50.6 -54.7 -26.0 5.0 12.0 31.5 3 20 A L T > S+ 0 0 0 1,-0.2 3,-2.7 2,-0.1 4,-0.4 0.689 84.9 90.4 -86.8 -18.4 1.9 9.9 32.3 4 21 A D G X S+ 0 0 79 -3,-1.5 3,-1.5 1,-0.3 4,-0.4 0.778 76.5 63.2 -51.5 -34.9 3.2 8.9 35.7 5 22 A H G 3 S+ 0 0 127 -4,-0.4 3,-0.4 -3,-0.3 4,-0.3 0.706 93.7 64.4 -67.5 -18.0 1.5 11.8 37.5 6 23 A L G X> S+ 0 0 4 -3,-2.7 4,-1.3 1,-0.2 3,-0.9 0.704 81.2 81.6 -73.7 -21.0 -1.9 10.4 36.4 7 24 A A H <> S+ 0 0 31 -3,-1.5 4,-2.6 -4,-0.4 3,-0.4 0.867 80.0 63.8 -56.7 -40.9 -1.5 7.3 38.5 8 25 A D H 34 S+ 0 0 142 -3,-0.4 -1,-0.2 -4,-0.4 -2,-0.1 0.825 113.2 31.4 -54.5 -39.9 -2.6 8.9 41.8 9 26 A K H <4 S+ 0 0 122 -3,-0.9 17,-0.4 -4,-0.3 16,-0.3 0.646 127.9 37.5 -94.7 -16.8 -6.1 9.6 40.7 10 27 A L H < S+ 0 0 0 -4,-1.3 13,-2.2 -3,-0.4 2,-0.3 0.729 111.9 29.3-106.8 -28.8 -6.7 6.7 38.3 11 28 A F E < -A 22 0A 13 -4,-2.6 2,-0.4 11,-0.2 11,-0.2 -0.911 49.6-151.0-139.4 154.2 -5.0 3.5 39.7 12 29 A H E -A 21 0A 51 9,-1.9 9,-2.4 -2,-0.3 405,-0.1 -0.982 38.8-102.0-123.4 146.5 -3.9 1.6 42.8 13 30 A S E -A 20 0A 87 -2,-0.4 7,-0.1 7,-0.2 4,-0.1 -0.334 27.3-175.7 -62.9 141.3 -1.0 -0.8 42.9 14 31 A M E - 0 0 2 5,-0.7 338,-0.6 2,-0.3 341,-0.2 0.039 57.6 -99.7-119.9 19.1 -1.7 -4.5 42.8 15 32 A G E S+ 0 0 45 1,-0.1 2,-0.3 336,-0.1 339,-0.1 0.754 96.3 89.0 70.6 26.1 1.9 -5.4 43.2 16 33 A S E > S-A 19 0A 10 3,-0.5 3,-1.9 336,-0.1 -2,-0.3 -0.903 81.0-110.3-156.5 126.0 2.6 -6.2 39.5 17 34 A D T 3 S+ 0 0 59 -2,-0.3 130,-0.2 1,-0.3 136,-0.1 -0.267 104.1 13.5 -56.0 131.3 3.7 -3.9 36.7 18 35 A G T 3 S+ 0 0 1 127,-0.2 135,-1.9 128,-0.1 136,-1.3 0.544 106.5 96.3 81.0 7.1 1.0 -3.3 34.2 19 36 A V E < +A 16 0A 1 -3,-1.9 -5,-0.7 133,-0.2 -3,-0.5 -0.943 52.0 162.6-132.8 106.4 -1.8 -4.7 36.4 20 37 A Y E -A 13 0A 31 -2,-0.4 2,-0.3 134,-0.2 -7,-0.2 -0.937 40.8-116.2-130.6 151.3 -3.7 -2.0 38.4 21 38 A A E -A 12 0A 0 -9,-2.4 -9,-1.9 -2,-0.3 2,-0.5 -0.624 37.0-131.0 -77.6 141.7 -6.9 -1.4 40.3 22 39 A R E -AB 11 346A 7 324,-2.9 324,-1.9 -2,-0.3 -11,-0.2 -0.848 13.4-137.0-104.5 126.7 -9.1 1.2 38.7 23 40 A T > - 0 0 17 -13,-2.2 4,-2.4 -2,-0.5 5,-0.2 -0.238 28.9-105.8 -74.0 167.0 -10.6 4.0 40.7 24 41 A A H > S+ 0 0 58 320,-0.5 4,-2.2 1,-0.2 5,-0.2 0.866 120.6 55.7 -61.2 -37.7 -14.2 5.2 40.2 25 42 A L H > S+ 0 0 41 -16,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.955 110.2 44.9 -58.5 -49.9 -13.1 8.3 38.3 26 43 A Y H >> S+ 0 0 0 -17,-0.4 4,-2.1 1,-0.2 3,-0.6 0.942 113.9 48.0 -60.5 -49.9 -11.2 6.2 35.9 27 44 A E H 3X S+ 0 0 36 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.816 103.8 61.9 -65.3 -29.8 -14.0 3.6 35.3 28 45 A S H 3X S+ 0 0 42 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.875 108.8 42.5 -63.1 -36.8 -16.5 6.4 34.9 29 46 A I H < S+ 0 0 4 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.925 110.1 53.2 -62.1 -41.6 -18.3 3.8 20.8 38 55 A T H >< S+ 0 0 48 -4,-2.5 3,-1.7 1,-0.3 -1,-0.2 0.875 100.2 61.8 -58.4 -37.6 -21.6 2.0 21.0 39 56 A S H 3< S+ 0 0 83 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.727 104.7 49.3 -64.2 -19.2 -23.4 5.1 19.7 40 57 A H T << S+ 0 0 48 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.350 79.2 131.5 -99.9 6.9 -21.4 4.8 16.5 41 58 A R < - 0 0 96 -3,-1.7 3,-0.1 -4,-0.2 2,-0.1 -0.319 58.0-120.5 -61.8 134.9 -22.1 1.0 15.9 42 59 A E > - 0 0 18 1,-0.1 3,-0.7 2,-0.1 -1,-0.1 -0.369 35.2 -80.8 -82.6 160.3 -23.2 0.4 12.3 43 60 A A T 3 S+ 0 0 93 1,-0.2 -1,-0.1 -2,-0.1 0, 0.0 -0.172 110.3 23.7 -55.3 145.0 -26.5 -1.1 11.3 44 61 A G T 3 S+ 0 0 74 1,-0.2 89,-0.6 -3,-0.1 2,-0.4 0.765 83.5 149.6 75.4 26.4 -26.9 -4.9 11.4 45 62 A T E < -i 133 0B 27 -3,-0.7 2,-0.5 87,-0.1 89,-0.2 -0.792 37.9-145.8 -99.3 132.4 -24.2 -5.5 14.0 46 63 A E E -i 134 0B 61 87,-2.7 89,-2.7 -2,-0.4 2,-0.5 -0.861 15.1-142.9 -99.2 126.6 -24.4 -8.5 16.4 47 64 A A E +i 135 0B 17 -2,-0.5 274,-0.5 87,-0.2 2,-0.4 -0.756 23.0 172.6 -95.0 127.4 -22.9 -7.8 19.9 48 65 A L E -i 136 0B 1 87,-3.0 89,-0.8 -2,-0.5 2,-0.5 -0.981 18.0-152.7-128.8 144.4 -21.1 -10.5 21.8 49 66 A R E -iJ 137 319B 46 270,-2.2 270,-2.9 -2,-0.4 89,-0.2 -0.973 13.7-159.2-119.4 129.4 -19.1 -10.3 25.0 50 67 A F - 0 0 8 87,-2.5 89,-0.4 -2,-0.5 268,-0.1 -0.793 16.4-119.9-108.5 148.3 -16.3 -12.7 25.7 51 68 A P - 0 0 1 0, 0.0 59,-0.1 0, 0.0 -1,-0.1 -0.168 38.8 -97.8 -72.9 175.3 -14.7 -13.7 29.0 52 69 A P S S+ 0 0 7 0, 0.0 58,-1.9 0, 0.0 2,-0.3 0.455 105.1 60.7 -79.8 2.3 -11.0 -13.1 29.7 53 70 A V E -Q 109 0C 0 56,-0.3 2,-0.3 87,-0.0 56,-0.2 -0.923 61.9-176.8-124.3 155.5 -10.1 -16.6 28.7 54 71 A M E -Q 108 0C 0 54,-2.7 54,-2.8 -2,-0.3 2,-0.1 -0.918 40.9 -70.6-143.2 169.6 -10.5 -18.6 25.5 55 72 A S E > -Q 107 0C 8 256,-0.5 4,-1.9 -2,-0.3 52,-0.3 -0.380 30.9-147.2 -64.2 128.9 -9.9 -22.1 24.2 56 73 A R H > S+ 0 0 47 50,-2.3 4,-2.7 1,-0.2 5,-0.2 0.916 100.8 55.7 -61.6 -39.5 -6.2 -23.0 23.8 57 74 A A H > S+ 0 0 61 49,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.910 107.0 49.6 -60.4 -41.9 -7.2 -25.2 20.9 58 75 A Q H > S+ 0 0 25 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.904 111.7 47.7 -64.1 -40.2 -8.9 -22.3 19.1 59 76 A L H X>S+ 0 0 4 -4,-1.9 5,-1.4 2,-0.2 4,-0.5 0.899 110.7 51.1 -71.0 -38.6 -5.9 -20.0 19.6 60 77 A E H ><5S+ 0 0 35 -4,-2.7 3,-1.4 1,-0.2 5,-0.2 0.938 111.4 49.3 -56.8 -45.5 -3.5 -22.6 18.4 61 78 A K H 3<5S+ 0 0 119 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.832 102.0 62.8 -66.5 -29.2 -5.7 -23.0 15.3 62 79 A S H 3<5S- 0 0 4 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.631 113.7-113.9 -75.5 -9.5 -5.8 -19.3 14.7 63 80 A G T X<5S+ 0 0 20 -3,-1.4 3,-1.4 -4,-0.5 4,-0.5 0.520 70.9 139.1 94.3 7.0 -2.0 -19.1 14.2 64 81 A Y G >>< + 0 0 15 -5,-1.4 4,-2.8 1,-0.3 3,-1.2 0.830 69.2 57.0 -57.9 -34.7 -1.2 -17.1 17.3 65 82 A L G 34 S+ 0 0 7 -6,-0.3 -1,-0.3 1,-0.3 321,-0.1 0.762 102.4 55.5 -67.8 -26.6 1.9 -19.2 18.0 66 83 A K G <4 S+ 0 0 62 -3,-1.4 -1,-0.3 -6,-0.2 -2,-0.2 0.523 122.4 26.6 -80.0 -5.7 3.3 -18.4 14.5 67 84 A S T <4 S+ 0 0 7 -3,-1.2 134,-3.0 -4,-0.5 -2,-0.2 0.759 134.9 9.3-120.2 -52.1 3.1 -14.7 15.3 68 85 A F >X + 0 0 21 -4,-2.8 3,-2.2 132,-0.2 4,-0.6 -0.264 62.8 145.2-132.6 48.0 3.2 -13.8 18.9 69 86 A P G >4 S+ 0 0 3 0, 0.0 3,-0.9 0, 0.0 306,-0.5 0.854 75.2 60.1 -61.6 -30.6 4.2 -16.8 21.1 70 87 A N G 34 S+ 0 0 36 1,-0.2 -5,-0.1 -3,-0.1 -2,-0.0 0.612 103.6 51.6 -68.5 -13.9 6.2 -14.6 23.5 71 88 A L G <4 S+ 0 0 8 -3,-2.2 72,-2.4 71,-0.1 -1,-0.2 0.543 84.6 110.4-100.5 -8.5 3.0 -12.5 24.4 72 89 A L << - 0 0 7 -3,-0.9 2,-0.5 -4,-0.6 303,-0.4 -0.395 51.0-155.9 -76.6 140.4 0.7 -15.4 25.3 73 90 A G - 0 0 0 36,-0.5 36,-2.8 68,-0.2 2,-0.3 -0.976 14.5-162.5-111.1 122.9 -0.6 -16.1 28.8 74 91 A C E -RS 108 373C 0 299,-3.3 299,-2.4 -2,-0.5 2,-0.5 -0.823 18.7-122.9-103.7 144.4 -1.6 -19.8 29.3 75 92 A V E + S 0 372C 0 32,-2.3 30,-3.1 -2,-0.3 32,-0.4 -0.747 35.3 177.3 -85.7 129.7 -3.8 -20.9 32.1 76 93 A C E +RS 104 371C 4 295,-2.4 295,-3.8 -2,-0.5 2,-0.3 -0.953 1.2 175.4-130.0 153.9 -2.2 -23.6 34.2 77 94 A G E -R 103 0C 2 26,-2.6 26,-2.4 -2,-0.3 2,-0.9 -0.882 42.8 -88.9-146.3 174.9 -3.4 -25.4 37.3 78 95 A L + 0 0 12 288,-0.5 24,-0.1 291,-0.4 7,-0.1 -0.842 47.3 169.4 -92.2 106.0 -2.7 -28.2 39.8 79 96 A H + 0 0 81 -2,-0.9 -1,-0.1 22,-0.5 23,-0.1 0.434 35.4 102.5-102.6 -1.8 -4.4 -31.1 38.2 80 97 A G S S- 0 0 34 21,-0.2 2,-0.1 1,-0.2 -2,-0.0 0.375 76.4 -74.7 -70.8-159.8 -3.1 -34.1 40.2 81 98 A T > - 0 0 79 1,-0.1 4,-3.1 4,-0.0 5,-0.3 -0.411 54.7 -90.7 -89.4 175.5 -4.7 -36.2 43.0 82 99 A E H > S+ 0 0 85 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.885 129.1 46.8 -56.2 -39.8 -5.2 -35.1 46.6 83 100 A R H > S+ 0 0 204 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.891 112.8 47.8 -70.1 -42.4 -1.8 -36.4 47.5 84 101 A E H > S+ 0 0 109 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.948 114.7 46.1 -63.5 -48.2 0.0 -34.9 44.5 85 102 A I H X S+ 0 0 8 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.940 111.9 51.5 -60.1 -46.8 -1.6 -31.5 45.1 86 103 A N H X S+ 0 0 61 -4,-2.6 4,-2.9 -5,-0.3 -1,-0.2 0.872 107.3 54.1 -57.8 -39.7 -0.9 -31.7 48.9 87 104 A A H X S+ 0 0 44 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.903 108.0 48.9 -59.7 -45.7 2.8 -32.4 48.0 88 105 A A H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.962 113.4 47.0 -59.4 -50.3 3.0 -29.3 45.9 89 106 A V H X S+ 0 0 12 -4,-2.6 4,-2.2 1,-0.2 3,-0.3 0.911 109.0 55.3 -56.8 -44.2 1.4 -27.2 48.6 90 107 A S H X S+ 0 0 69 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.893 103.7 54.5 -57.8 -40.5 3.8 -28.8 51.2 91 108 A R H <>S+ 0 0 79 -4,-2.1 5,-3.3 2,-0.2 4,-0.5 0.859 106.6 52.0 -61.6 -36.2 6.8 -27.7 49.1 92 109 A F H ><5S+ 0 0 60 -4,-1.5 3,-1.2 -3,-0.3 -2,-0.2 0.933 110.2 47.6 -63.8 -47.7 5.5 -24.1 49.2 93 110 A D H 3<5S+ 0 0 103 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.828 109.8 54.9 -59.5 -32.6 5.2 -24.3 53.0 94 111 A A T 3<5S- 0 0 87 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.553 122.9-104.3 -81.7 -7.6 8.7 -25.8 53.1 95 112 A G T < 5S+ 0 0 71 -3,-1.2 -3,-0.2 -4,-0.5 -2,-0.1 0.548 86.7 113.9 93.3 8.8 10.2 -22.8 51.1 96 113 A G S - 0 0 81 1,-0.1 3,-0.9 -3,-0.1 4,-0.1 -0.895 33.2-179.8-120.8 104.2 8.6 -24.3 44.6 98 115 A W G > S+ 0 0 4 -2,-0.6 3,-1.7 1,-0.2 -1,-0.1 0.764 74.6 76.4 -69.9 -24.5 5.0 -25.5 44.3 99 116 A T G > S+ 0 0 11 1,-0.3 3,-1.9 2,-0.2 -1,-0.2 0.619 72.2 79.4 -68.8 -12.3 4.7 -24.3 40.7 100 117 A T G < S+ 0 0 99 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.1 0.718 89.6 58.9 -67.8 -17.0 6.8 -27.2 39.3 101 118 A S G < S+ 0 0 47 -3,-1.7 -22,-0.5 -4,-0.1 -1,-0.3 0.409 80.7 118.1 -88.3 1.8 3.6 -29.2 39.6 102 119 A L < - 0 0 30 -3,-1.9 -24,-0.2 -24,-0.1 -3,-0.0 -0.405 42.1-172.5 -68.9 142.2 1.6 -26.9 37.3 103 120 A S E - R 0 77C 45 -26,-2.4 -26,-2.6 -2,-0.1 -2,-0.0 -0.990 30.0 -95.2-133.2 150.9 0.2 -28.3 34.1 104 121 A P E - R 0 76C 41 0, 0.0 -28,-0.3 0, 0.0 2,-0.1 -0.268 31.9-148.2 -63.6 139.2 -1.5 -26.5 31.2 105 122 A A E - 0 0 3 -30,-3.1 -30,-0.1 2,-0.3 265,-0.0 -0.388 34.4-100.9 -85.9-179.2 -5.3 -26.2 31.1 106 123 A D E S+ 0 0 62 -2,-0.1 -50,-2.3 -50,-0.1 -49,-0.4 0.029 98.6 83.9 -86.9 24.4 -7.2 -26.1 27.8 107 124 A L E -Q 55 0C 0 -32,-0.4 -32,-2.3 -52,-0.3 -2,-0.3 -0.947 52.5-173.4-130.9 147.7 -7.5 -22.3 28.3 108 125 A V E -QR 54 74C 0 -54,-2.8 -54,-2.7 -2,-0.3 2,-0.4 -0.912 39.8 -97.9-126.8 163.2 -5.4 -19.3 27.5 109 126 A L E -Q 53 0C 5 -36,-2.8 -36,-0.5 -2,-0.3 -56,-0.3 -0.684 53.9-102.2 -77.0 132.4 -5.9 -15.6 28.4 110 127 A S - 0 0 1 -58,-1.9 31,-2.1 -2,-0.4 3,-0.1 -0.377 30.7-165.0 -62.6 125.1 -7.5 -14.0 25.4 111 128 A P S S+ 0 0 15 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.700 74.7 6.7 -82.6 -20.2 -4.9 -11.9 23.5 112 129 A A S S- 0 0 22 27,-0.1 3,-0.4 28,-0.1 27,-0.1 -0.975 72.6-118.8-159.3 155.2 -7.4 -10.0 21.4 113 130 A A S S+ 0 0 0 -2,-0.3 4,-0.2 1,-0.2 24,-0.2 0.752 100.8 60.4 -72.0 -26.2 -11.2 -9.7 21.4 114 131 A C S >> S+ 0 0 6 1,-0.2 3,-2.4 2,-0.1 4,-0.7 0.780 76.7 86.4 -80.2 -26.3 -11.9 -11.0 17.9 115 132 A Y T >4 S+ 0 0 26 -3,-0.4 3,-0.9 1,-0.3 -1,-0.2 0.825 88.0 50.2 -47.6 -47.0 -10.5 -14.6 18.0 116 133 A P T 3> S+ 0 0 1 0, 0.0 4,-1.0 0, 0.0 -1,-0.3 0.685 99.5 68.9 -68.8 -11.9 -13.6 -16.3 19.4 117 134 A V H <> S+ 0 0 0 -3,-2.4 4,-2.7 -4,-0.2 5,-0.2 0.843 87.7 63.7 -77.1 -29.2 -15.8 -14.7 16.8 118 135 A Y H S+ 0 0 21 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.864 113.5 54.6 -68.4 -26.4 -15.5 -20.1 14.7 120 137 A I H < S+ 0 0 9 -4,-1.0 4,-0.3 2,-0.2 -2,-0.2 0.938 110.9 44.6 -66.7 -44.9 -18.8 -18.7 15.8 121 138 A A H >< S+ 0 0 0 -4,-2.7 3,-1.9 1,-0.2 -1,-0.2 0.943 111.5 53.6 -59.6 -49.0 -19.4 -17.2 12.4 122 139 A A H >< S+ 0 0 25 -4,-2.7 3,-1.6 1,-0.3 -1,-0.2 0.836 97.6 65.8 -56.9 -34.1 -18.2 -20.4 10.7 123 140 A S T 3< S+ 0 0 95 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.614 92.9 62.3 -67.5 -9.9 -20.7 -22.5 12.6 124 141 A R T < S- 0 0 104 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.419 105.0-124.3 -97.4 1.8 -23.6 -20.8 10.8 125 142 A G < + 0 0 31 -3,-1.6 -1,-0.3 -4,-0.2 126,-0.2 -0.518 64.8 3.1 91.1-161.4 -22.7 -21.9 7.3 126 143 A P S S- 0 0 101 0, 0.0 126,-0.2 0, 0.0 127,-0.1 -0.278 82.5-106.3 -60.6 145.6 -22.1 -19.6 4.3 127 144 A L - 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