==== 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 4H2V . 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 . 692 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28368.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 505 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 125 18.1 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 47 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 212 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.0 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 5 1 8 0 1 0 0 0 4 2 2 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 4 1 4 4 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 67 0, 0.0 3,-1.6 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 132.3 98.1 57.7 31.9 2 19 A P T 3 + 0 0 61 0, 0.0 3,-0.4 0, 0.0 4,-0.1 0.714 360.0 52.0 -55.6 -26.7 95.4 60.3 30.9 3 20 A L T > S+ 0 0 0 1,-0.2 3,-2.3 2,-0.1 4,-0.4 0.682 84.3 89.6 -84.0 -17.7 92.5 58.1 31.9 4 21 A D G X S+ 0 0 81 -3,-1.6 3,-1.5 1,-0.3 4,-0.3 0.788 76.6 63.4 -52.5 -36.7 93.8 57.3 35.4 5 22 A H G 3 S+ 0 0 135 -4,-0.4 3,-0.3 -3,-0.4 4,-0.3 0.692 94.5 62.7 -64.4 -19.3 92.1 60.3 37.0 6 23 A L G X> S+ 0 0 5 -3,-2.3 4,-1.5 1,-0.2 3,-0.8 0.688 81.1 85.8 -76.8 -19.6 88.7 58.8 36.1 7 24 A A H X> S+ 0 0 30 -3,-1.5 4,-2.9 -4,-0.4 3,-0.5 0.881 80.2 57.7 -51.6 -48.8 89.3 55.8 38.3 8 25 A D H 34 S+ 0 0 150 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.805 114.1 36.7 -60.3 -33.4 88.1 57.2 41.6 9 26 A K H <4 S+ 0 0 122 -3,-0.8 17,-0.4 -4,-0.3 -1,-0.3 0.704 126.7 34.5 -87.7 -22.4 84.6 58.1 40.3 10 27 A L H << S+ 0 0 0 -4,-1.5 13,-2.3 -3,-0.5 2,-0.3 0.743 114.3 27.1-104.9 -29.2 84.1 55.1 38.0 11 28 A F E < -A 22 0A 14 -4,-2.9 2,-0.4 -5,-0.2 11,-0.2 -0.912 49.3-147.8-140.0 156.9 85.7 52.0 39.6 12 29 A H E -A 21 0A 45 9,-1.9 9,-2.4 -2,-0.3 405,-0.1 -0.991 38.3-104.7-124.7 143.9 86.9 50.2 42.7 13 30 A S E -A 20 0A 84 -2,-0.4 7,-0.1 7,-0.2 4,-0.1 -0.353 25.7-173.0 -63.3 136.9 89.9 47.9 42.8 14 31 A M E - 0 0 1 5,-0.9 338,-0.6 2,-0.3 341,-0.2 0.060 56.3 -98.7-115.4 18.4 89.1 44.2 42.9 15 32 A G E S+ 0 0 43 1,-0.1 2,-0.3 336,-0.1 339,-0.1 0.713 97.6 86.1 76.6 22.6 92.8 43.3 43.5 16 33 A S E > S-A 19 0A 9 3,-0.5 3,-2.0 336,-0.1 -2,-0.3 -0.916 82.7-107.4-156.5 127.0 93.5 42.4 39.9 17 34 A D T 3 S+ 0 0 64 -2,-0.3 130,-0.2 1,-0.3 136,-0.1 -0.252 104.7 12.7 -55.8 131.5 94.6 44.5 36.9 18 35 A G T 3 S+ 0 0 1 128,-0.2 135,-1.9 127,-0.1 136,-1.3 0.530 105.0 99.4 81.3 6.7 91.8 45.0 34.4 19 36 A V E < +A 16 0A 1 -3,-2.0 -5,-0.9 133,-0.2 -3,-0.5 -0.952 50.9 164.9-127.5 108.4 89.1 43.7 36.7 20 37 A Y E -A 13 0A 30 -2,-0.5 2,-0.3 134,-0.3 -7,-0.2 -0.934 39.1-122.2-130.8 146.7 87.1 46.5 38.4 21 38 A A E -A 12 0A 0 -9,-2.4 -9,-1.9 -2,-0.3 2,-0.4 -0.668 36.8-129.5 -78.2 143.2 83.9 47.0 40.4 22 39 A R E -AB 11 346A 6 324,-2.9 324,-1.9 -2,-0.3 -11,-0.2 -0.822 13.1-134.3-103.6 130.4 81.7 49.5 38.7 23 40 A T E > - B 0 345A 18 -13,-2.3 4,-2.5 -2,-0.4 5,-0.2 -0.267 28.9-106.8 -72.9 166.6 80.2 52.5 40.5 24 41 A A H > S+ 0 0 57 320,-0.5 4,-2.3 2,-0.2 5,-0.2 0.893 121.1 55.3 -60.5 -40.8 76.5 53.5 40.1 25 42 A L H > S+ 0 0 44 -16,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.958 110.5 44.4 -55.4 -51.9 77.6 56.5 38.1 26 43 A Y H > S+ 0 0 0 -17,-0.4 4,-2.0 1,-0.2 3,-0.4 0.940 113.9 48.1 -62.7 -46.3 79.6 54.4 35.7 27 44 A E H X S+ 0 0 38 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.842 103.3 62.3 -69.5 -27.6 76.9 51.7 35.3 28 45 A S H X S+ 0 0 35 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.901 108.4 43.2 -61.2 -38.5 74.2 54.3 34.7 29 46 A I H X S+ 0 0 0 -4,-1.3 4,-2.5 -3,-0.4 -2,-0.2 0.877 110.9 53.0 -76.3 -38.2 76.0 55.5 31.6 30 47 A V H X S+ 0 0 9 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.948 111.5 49.4 -57.1 -45.2 76.8 51.9 30.4 31 48 A E H X S+ 0 0 106 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.895 111.1 47.1 -59.7 -44.5 73.0 51.3 30.7 32 49 A R H X S+ 0 0 80 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.859 111.9 51.0 -71.5 -32.7 72.1 54.4 28.8 33 50 A L H X S+ 0 0 3 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.914 109.8 49.9 -64.6 -44.8 74.6 53.5 26.0 34 51 A A H X S+ 0 0 30 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.906 111.3 49.4 -59.8 -41.5 73.1 50.0 25.8 35 52 A A H X S+ 0 0 48 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.877 110.4 50.7 -66.0 -37.5 69.6 51.5 25.5 36 53 A L H X S+ 0 0 18 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.923 110.1 49.1 -66.4 -45.0 70.8 53.9 22.8 37 54 A I H >< S+ 0 0 6 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.920 109.6 52.3 -58.9 -42.9 72.4 51.0 20.8 38 55 A T H >< S+ 0 0 48 -4,-2.3 3,-2.4 1,-0.3 -1,-0.2 0.902 101.2 61.0 -60.9 -40.1 69.1 49.0 21.1 39 56 A S H 3< S+ 0 0 85 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.700 104.1 51.1 -63.1 -18.6 67.2 52.0 19.8 40 57 A H T << S+ 0 0 56 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.301 80.2 129.6 -98.1 7.1 69.2 51.7 16.6 41 58 A R < - 0 0 93 -3,-2.4 2,-0.1 -4,-0.1 3,-0.1 -0.399 61.7-117.1 -65.0 136.4 68.6 48.0 16.1 42 59 A E > - 0 0 30 1,-0.1 3,-0.7 -2,-0.1 -1,-0.1 -0.412 35.5 -96.1 -70.9 147.9 67.4 47.1 12.6 43 60 A A T 3 S+ 0 0 89 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.248 108.9 35.6 -58.9 151.7 63.9 45.5 12.2 44 61 A G T 3 S+ 0 0 64 1,-0.2 89,-0.6 -3,-0.1 2,-0.6 0.704 83.3 141.2 77.8 20.3 63.9 41.7 12.0 45 62 A T E < -i 133 0B 23 -3,-0.7 2,-0.5 87,-0.1 89,-0.2 -0.849 45.0-142.8-104.9 123.2 66.7 41.3 14.5 46 63 A E E -i 134 0B 61 87,-2.5 89,-2.8 -2,-0.6 2,-0.6 -0.713 15.2-144.8 -86.3 124.2 66.6 38.5 17.0 47 64 A A E +i 135 0B 16 -2,-0.5 274,-0.4 87,-0.2 2,-0.4 -0.784 22.2 174.3 -96.6 121.6 68.0 39.5 20.4 48 65 A L E -i 136 0B 1 87,-3.1 89,-0.7 -2,-0.6 2,-0.5 -0.948 18.0-151.8-120.1 144.0 69.9 36.9 22.4 49 66 A R E -iJ 137 319B 46 270,-2.1 270,-2.8 -2,-0.4 89,-0.2 -0.975 14.1-158.7-115.8 128.2 71.8 37.3 25.7 50 67 A F - 0 0 9 87,-2.5 89,-0.4 -2,-0.5 268,-0.1 -0.775 15.9-121.0-104.1 146.7 74.7 35.0 26.5 51 68 A P - 0 0 0 0, 0.0 59,-0.1 0, 0.0 -1,-0.1 -0.224 39.4 -98.0 -69.8 172.4 76.3 34.1 29.9 52 69 A P S S+ 0 0 10 0, 0.0 58,-1.9 0, 0.0 2,-0.3 0.481 106.0 59.2 -75.5 0.6 80.0 34.9 30.4 53 70 A V E -Q 109 0C 1 56,-0.3 2,-0.3 87,-0.1 56,-0.2 -0.887 62.5-180.0-124.3 156.0 80.9 31.2 29.6 54 71 A M E -Q 108 0C 0 54,-2.5 54,-2.3 -2,-0.3 2,-0.2 -0.918 42.7 -64.8-145.5 173.2 80.4 29.1 26.5 55 72 A S E > -Q 107 0C 9 256,-0.6 4,-1.9 -2,-0.3 52,-0.3 -0.404 33.9-149.7 -64.2 128.3 81.1 25.6 25.3 56 73 A R H > S+ 0 0 45 50,-2.3 4,-2.9 2,-0.2 5,-0.2 0.915 98.7 53.1 -63.1 -41.5 84.8 24.9 24.9 57 74 A A H > S+ 0 0 62 49,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.912 107.8 51.0 -61.9 -40.9 84.1 22.5 22.1 58 75 A Q H > S+ 0 0 28 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.901 112.4 46.1 -62.1 -40.9 82.2 25.1 20.2 59 76 A L H <>S+ 0 0 3 -4,-1.9 5,-1.5 2,-0.2 4,-0.4 0.914 112.1 50.2 -68.9 -43.6 85.0 27.6 20.6 60 77 A E H ><5S+ 0 0 32 -4,-2.9 3,-1.6 1,-0.2 5,-0.2 0.933 110.1 51.6 -54.3 -47.5 87.6 25.1 19.6 61 78 A K H 3<5S+ 0 0 120 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.835 102.2 60.2 -61.4 -33.1 85.5 24.3 16.5 62 79 A S T 3<5S- 0 0 4 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.558 115.8-115.3 -74.7 -9.9 85.3 28.0 15.6 63 80 A G T X>5 + 0 0 26 -3,-1.6 3,-1.2 -4,-0.4 4,-0.5 0.631 67.5 143.1 91.2 17.2 89.0 28.1 15.3 64 81 A Y H >>< + 0 0 5 -5,-1.5 4,-2.8 1,-0.2 3,-1.1 0.824 68.3 61.0 -58.8 -32.1 89.8 30.5 18.2 65 82 A L H 34 S+ 0 0 4 1,-0.3 -1,-0.2 -6,-0.2 321,-0.1 0.728 97.9 56.3 -71.2 -23.9 93.0 28.5 19.1 66 83 A K H <4 S+ 0 0 64 -3,-1.2 -1,-0.3 -6,-0.2 -2,-0.2 0.635 121.2 29.5 -77.6 -12.4 94.6 29.2 15.7 67 84 A S H << S+ 0 0 18 -3,-1.1 134,-2.9 -4,-0.5 -2,-0.2 0.830 134.2 8.3-113.7 -55.2 94.2 32.9 16.3 68 85 A F >X + 0 0 17 -4,-2.8 3,-1.9 132,-0.2 4,-0.8 -0.305 62.6 145.5-132.4 54.9 94.3 33.9 19.9 69 86 A P G >4 S+ 0 0 3 0, 0.0 3,-0.5 0, 0.0 306,-0.5 0.830 76.3 60.5 -60.8 -29.3 95.3 31.0 22.1 70 87 A N G 34 S+ 0 0 36 1,-0.2 -2,-0.1 -3,-0.1 -5,-0.1 0.593 104.9 47.8 -72.4 -14.2 97.2 33.4 24.4 71 88 A L G <4 S+ 0 0 12 -3,-1.9 72,-2.7 71,-0.1 -1,-0.2 0.598 84.7 112.7-101.3 -15.2 94.0 35.4 25.2 72 89 A L << - 0 0 6 -4,-0.8 2,-0.6 -3,-0.5 303,-0.4 -0.386 50.7-156.0 -72.1 130.8 91.7 32.5 26.1 73 90 A G - 0 0 0 36,-0.5 36,-2.6 68,-0.3 2,-0.3 -0.921 13.5-161.6-100.9 122.2 90.4 31.9 29.6 74 91 A C E -RS 108 373C 0 299,-3.3 299,-2.5 -2,-0.6 2,-0.5 -0.796 18.1-123.2-101.1 145.5 89.4 28.3 30.3 75 92 A V E + S 0 372C 1 32,-2.0 30,-3.1 -2,-0.3 32,-0.4 -0.794 37.1 175.7 -85.2 126.6 87.2 27.3 33.1 76 93 A C E +RS 104 371C 4 295,-2.4 295,-3.6 -2,-0.5 2,-0.3 -0.899 2.4 168.9-126.7 161.2 88.9 24.7 35.4 77 94 A G E -R 103 0C 2 26,-2.5 26,-2.4 -2,-0.3 2,-1.1 -0.954 47.1 -82.3-158.2 173.0 87.8 23.0 38.6 78 95 A L + 0 0 12 288,-0.5 24,-0.2 291,-0.4 291,-0.1 -0.801 50.7 164.6 -84.5 99.8 88.4 20.3 41.2 79 96 A H + 0 0 73 -2,-1.1 -1,-0.1 22,-0.5 23,-0.1 0.313 36.8 104.1-101.2 6.5 86.7 17.4 39.4 80 97 A G S S- 0 0 38 21,-0.2 2,-0.1 1,-0.2 -2,-0.0 0.273 77.4 -69.6 -76.5-160.8 88.2 14.6 41.4 81 98 A T > - 0 0 79 1,-0.1 4,-2.7 4,-0.0 5,-0.2 -0.398 52.0 -98.6 -83.0 168.9 86.9 12.3 44.2 82 99 A E H > S+ 0 0 99 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.866 125.1 50.9 -56.9 -37.5 86.1 13.5 47.7 83 100 A R H > S+ 0 0 211 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.948 110.9 46.7 -67.2 -48.3 89.5 12.2 48.9 84 101 A E H > S+ 0 0 108 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.922 112.7 49.7 -58.7 -46.8 91.5 14.0 46.1 85 102 A I H X S+ 0 0 9 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.921 108.5 54.3 -58.6 -43.7 89.6 17.2 46.7 86 103 A N H X S+ 0 0 65 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.2 0.862 106.7 50.9 -57.5 -40.2 90.3 17.0 50.4 87 104 A A H X S+ 0 0 46 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.903 109.6 50.3 -64.0 -42.3 94.0 16.7 49.7 88 105 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.956 113.4 45.4 -59.9 -49.5 93.9 19.8 47.5 89 106 A V H X S+ 0 0 15 -4,-2.9 4,-3.0 2,-0.2 -2,-0.2 0.899 111.9 51.9 -60.2 -41.3 92.1 21.6 50.3 90 107 A S H X S+ 0 0 67 -4,-2.8 4,-1.4 2,-0.2 -1,-0.2 0.893 108.1 52.5 -62.4 -40.4 94.6 20.2 52.9 91 108 A R H <>S+ 0 0 75 -4,-2.7 5,-3.1 2,-0.2 3,-0.3 0.920 110.3 47.6 -59.6 -45.6 97.4 21.5 50.7 92 109 A F H ><5S+ 0 0 45 -4,-2.3 3,-2.8 1,-0.2 -2,-0.2 0.950 106.7 57.2 -60.9 -47.3 95.7 24.9 50.7 93 110 A D H 3<5S+ 0 0 103 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.799 105.9 51.5 -51.8 -32.1 95.3 24.8 54.5 94 111 A A T 3<5S- 0 0 90 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.315 126.0-102.3 -90.5 7.3 99.0 24.3 54.8 95 112 A G T < 5S+ 0 0 72 -3,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.712 82.4 128.8 79.0 20.9 99.7 27.3 52.6 96 113 A G < - 0 0 37 -5,-3.1 2,-0.9 -6,-0.2 -1,-0.2 -0.219 69.5 -75.9 -96.4-170.3 100.5 25.2 49.6 97 114 A D > + 0 0 82 1,-0.2 3,-0.7 -2,-0.1 -5,-0.1 -0.755 40.8 171.5 -95.9 100.9 99.3 25.0 46.0 98 115 A W G > + 0 0 5 -2,-0.9 3,-1.7 1,-0.2 -1,-0.2 0.683 66.6 81.5 -76.1 -15.4 95.9 23.5 45.7 99 116 A T G > + 0 0 8 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.624 69.7 78.4 -73.8 -11.0 95.6 24.5 42.0 100 117 A T G < S+ 0 0 98 -3,-0.7 -1,-0.3 1,-0.3 -2,-0.1 0.727 88.9 60.4 -64.3 -22.2 97.7 21.4 40.9 101 118 A S G < S+ 0 0 42 -3,-1.7 -22,-0.5 -4,-0.1 -1,-0.3 0.465 82.9 112.4 -84.8 -2.4 94.5 19.4 41.4 102 119 A L < - 0 0 29 -3,-1.7 -24,-0.2 -24,-0.2 -3,-0.0 -0.419 43.2-176.1 -68.5 142.8 92.6 21.6 38.8 103 120 A S E - R 0 77C 46 -26,-2.4 -26,-2.5 -2,-0.1 -2,-0.0 -0.981 33.5 -90.9-135.3 155.5 91.4 20.1 35.5 104 121 A P E - R 0 76C 40 0, 0.0 -28,-0.3 0, 0.0 2,-0.1 -0.305 34.1-146.5 -66.6 140.0 89.7 21.7 32.5 105 122 A A E - 0 0 2 -30,-3.1 -30,-0.1 2,-0.3 -26,-0.0 -0.285 33.3-101.2 -84.4-177.2 85.9 21.9 32.3 106 123 A D E S+ 0 0 68 -2,-0.1 -50,-2.3 -50,-0.1 -49,-0.4 0.028 99.0 79.9 -91.2 23.9 84.0 21.7 29.1 107 124 A L E -Q 55 0C 0 -32,-0.4 -32,-2.0 -52,-0.3 -2,-0.3 -0.951 55.2-168.9-132.4 148.7 83.5 25.5 29.3 108 125 A V E -QR 54 74C 0 -54,-2.3 -54,-2.5 -2,-0.3 2,-0.4 -0.885 37.5 -99.9-124.1 164.3 85.6 28.6 28.5 109 126 A L E -Q 53 0C 6 -36,-2.6 -36,-0.5 -2,-0.3 -56,-0.3 -0.729 53.8-103.7 -78.6 132.7 85.0 32.3 29.3 110 127 A S - 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0 0 5 -5,-1.6 -1,-0.2 4,-0.1 2,-0.1 -0.461 24.4-166.0 -70.0 125.2 78.4 26.3 70.9 657 41 D T > - 0 0 54 -2,-0.3 4,-2.4 -145,-0.0 5,-0.2 -0.285 41.3 -80.1 -94.7-172.2 79.2 27.9 67.5 658 42 D S H > S+ 0 0 38 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.931 129.2 43.7 -59.9 -51.9 80.1 26.1 64.2 659 43 D M H > S+ 0 0 105 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.870 113.3 53.8 -63.9 -35.4 83.8 25.5 65.0 660 44 D D H > S+ 0 0 41 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.911 108.1 49.0 -62.1 -43.7 82.9 24.4 68.5 661 45 D M H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.863 112.3 49.4 -65.3 -35.9 80.4 21.9 67.1 662 46 D V H X S+ 0 0 13 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.962 114.1 44.3 -62.8 -53.7 83.2 20.7 64.7 663 47 D N H X S+ 0 0 97 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.796 112.2 53.9 -61.8 -30.8 85.6 20.4 67.6 664 48 D L H X S+ 0 0 4 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.876 107.1 50.3 -72.4 -37.5 83.0 18.7 69.8 665 49 D M H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.885 112.2 47.4 -66.9 -38.8 82.3 16.1 67.1 666 50 D L H X S+ 0 0 84 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.871 110.7 52.7 -68.8 -38.4 86.0 15.3 66.9 667 51 D G H X S+ 0 0 21 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.917 110.9 46.5 -60.5 -45.9 86.3 15.2 70.7 668 52 D V H X S+ 0 0 1 -4,-2.3 4,-2.0 1,-0.2 6,-0.3 0.908 113.3 48.7 -63.7 -44.2 83.4 12.7 70.9 669 53 D E H <>S+ 0 0 22 -4,-2.1 5,-1.2 1,-0.2 -1,-0.2 0.823 115.4 44.9 -65.8 -32.8 84.9 10.5 68.1 670 54 D A H <5S+ 0 0 83 -4,-1.9 3,-0.5 3,-0.2 -2,-0.2 0.851 113.3 49.5 -79.7 -36.1 88.3 10.6 69.7 671 55 D E H <5S+ 0 0 102 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.919 116.2 37.9 -70.9 -47.1 87.1 9.8 73.2 672 56 D F T <5S- 0 0 58 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.1 0.187 105.2-122.2 -97.2 16.3 84.9 6.8 72.5 673 57 D D T 5S+ 0 0 157 -3,-0.5 2,-0.3 1,-0.2 -3,-0.2 0.817 73.8 106.9 52.8 40.8 87.2 5.3 69.9 674 58 D F < - 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