==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 06-DEC-05 2F9Y . COMPND 2 MOLECULE: ACETYL-COA CARBOXYLASE, CARBOXYLTRANSFERASE ALPHA . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR P.W.BILDER . 558 4 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23922.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 399 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 40 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 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 5 0 0 6 0 0 0 0 1 1 2 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 1 3 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 PARALLEL BRIDGES PER LADDER . 2 3 1 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 1 0 1 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 4 A N 0 0 144 0, 0.0 53,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-139.7 -70.4 -57.1 -12.5 2 5 A F - 0 0 109 51,-0.1 5,-0.1 50,-0.1 3,-0.0 0.266 360.0-120.8 -24.9 136.5 -70.5 -55.3 -9.1 3 6 A L - 0 0 25 3,-0.0 3,-0.1 2,-0.0 7,-0.1 0.087 32.5 -87.5 -72.0-168.2 -67.7 -56.2 -6.8 4 7 A D S > S+ 0 0 114 1,-0.2 3,-2.0 2,-0.1 2,-0.1 0.964 117.3 29.1 -65.4 -92.7 -68.0 -57.8 -3.3 5 8 A F T 3 S+ 0 0 41 1,-0.3 -1,-0.2 2,-0.1 4,-0.1 0.274 104.1 80.3 -56.3 8.2 -68.5 -55.1 -0.6 6 9 A E T >> + 0 0 7 1,-0.1 4,-2.0 -2,-0.1 3,-1.7 0.425 62.3 109.5 -94.1 -1.8 -70.2 -52.8 -3.2 7 10 A Q H X> S+ 0 0 78 -3,-2.0 4,-2.9 1,-0.3 3,-1.1 0.881 71.0 50.5 -37.7 -67.2 -73.3 -54.8 -2.6 8 11 A P H 3> S+ 0 0 53 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.757 112.1 50.5 -49.0 -25.6 -75.3 -52.2 -0.8 9 12 A I H <4 S+ 0 0 13 -3,-1.7 4,-0.3 2,-0.2 -2,-0.2 0.850 110.8 48.6 -79.9 -35.4 -74.5 -49.8 -3.7 10 13 A A H X< S+ 0 0 31 -4,-2.0 3,-1.3 -3,-1.1 -3,-0.2 0.934 111.9 48.3 -67.4 -45.8 -75.6 -52.5 -6.1 11 14 A E H >< S+ 0 0 126 -4,-2.9 3,-1.6 1,-0.3 -1,-0.2 0.862 107.5 56.1 -61.6 -37.7 -78.9 -53.0 -4.1 12 15 A L T 3< S+ 0 0 44 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.599 83.7 84.6 -70.6 -10.8 -79.4 -49.3 -4.1 13 16 A E T X + 0 0 69 -3,-1.3 2,-3.1 -4,-0.3 3,-1.3 0.671 61.2 101.7 -64.9 -13.1 -79.1 -49.4 -7.9 14 17 A A T < + 0 0 79 -3,-1.6 -1,-0.2 1,-0.2 -3,-0.1 -0.389 52.1 93.1 -71.7 67.0 -82.8 -50.2 -7.6 15 18 A K T > + 0 0 27 -2,-3.1 3,-1.2 2,-0.1 -1,-0.2 0.509 65.7 69.4-127.0 -33.4 -83.7 -46.6 -8.5 16 19 A I T < S+ 0 0 103 -3,-1.3 -2,-0.1 1,-0.3 -3,-0.0 0.838 94.5 60.1 -58.3 -33.3 -84.2 -47.0 -12.3 17 20 A D T 3 0 0 100 -4,-0.2 -1,-0.3 1,-0.2 -3,-0.1 0.789 360.0 360.0 -65.1 -27.5 -87.3 -49.0 -11.4 18 21 A S < 0 0 106 -3,-1.2 -2,-0.2 6,-0.0 -1,-0.2 0.959 360.0 360.0 -81.4 360.0 -88.6 -45.9 -9.7 19 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 20 37 A D 0 0 145 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-139.6 -94.5 -38.4 -5.3 21 38 A E > + 0 0 88 0, 0.0 3,-0.7 0, 0.0 -3,-0.0 0.227 360.0 79.8-168.0 -15.5 -92.0 -39.0 -8.1 22 39 A E G > + 0 0 134 1,-0.2 3,-1.5 2,-0.1 0, 0.0 0.638 63.3 93.1 -78.5 -17.0 -89.2 -36.6 -7.2 23 40 A V G > + 0 0 89 1,-0.3 3,-1.3 2,-0.1 -1,-0.2 0.677 55.5 102.8 -51.4 -14.3 -87.8 -39.0 -4.6 24 41 A H G < + 0 0 54 -3,-0.7 3,-0.4 1,-0.3 -1,-0.3 0.590 69.2 66.7 -46.7 -11.7 -85.7 -40.0 -7.6 25 42 A R G X + 0 0 154 -3,-1.5 3,-0.6 1,-0.2 -1,-0.3 -0.110 60.2 104.8-104.8 34.1 -82.9 -38.1 -5.8 26 43 A L T X> + 0 0 79 -3,-1.3 3,-2.8 1,-0.2 4,-0.6 0.593 59.6 89.8 -82.3 -13.0 -82.6 -40.4 -2.9 27 44 A R H 3> + 0 0 151 -3,-0.4 4,-1.8 1,-0.3 -1,-0.2 0.331 61.9 83.5 -64.8 8.1 -79.5 -41.3 -4.8 28 45 A E H <> S+ 0 0 129 -3,-0.6 4,-1.2 2,-0.2 -1,-0.3 0.839 93.7 45.3 -77.5 -34.5 -77.9 -38.6 -2.7 29 46 A K H <4 S+ 0 0 55 -3,-2.8 5,-0.4 2,-0.2 -2,-0.2 0.782 107.9 57.6 -75.0 -28.5 -77.6 -41.4 -0.2 30 47 A S H X S+ 0 0 21 -4,-0.6 4,-1.3 1,-0.2 -2,-0.2 0.916 104.5 51.0 -65.0 -43.8 -76.3 -43.6 -3.0 31 48 A V H < S+ 0 0 59 -4,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.832 112.9 52.2 -62.9 -34.3 -73.6 -41.1 -3.6 32 49 A E T < S+ 0 0 123 -4,-1.2 2,-3.2 2,-0.2 0, 0.0 -0.440 107.9 38.2 -87.3 179.5 -72.9 -41.3 0.1 33 50 A L T > S+ 0 0 48 1,-0.3 4,-4.7 -2,-0.2 5,-0.4 -0.445 115.0 57.2 75.7 -70.9 -72.4 -44.9 1.3 34 51 A T T < S+ 0 0 1 -2,-3.2 4,-0.3 -4,-1.3 -1,-0.3 0.667 112.5 45.9 -62.2 -10.7 -70.6 -45.4 -2.0 35 52 A R T > S+ 0 0 142 2,-0.1 4,-0.8 -5,-0.1 -1,-0.2 0.830 117.9 37.4 -95.7 -46.7 -68.6 -42.6 -0.4 36 53 A K H > S+ 0 0 150 2,-0.2 4,-0.9 1,-0.2 -2,-0.2 0.804 111.8 59.7 -77.6 -30.7 -68.2 -44.0 3.1 37 54 A I H < S+ 0 0 34 -4,-4.7 3,-0.4 1,-0.2 -1,-0.2 0.918 111.7 40.2 -61.8 -44.5 -67.8 -47.6 1.9 38 55 A F H >4 S+ 0 0 16 -5,-0.4 3,-0.7 -4,-0.3 -1,-0.2 0.648 98.8 76.3 -78.8 -19.3 -64.7 -46.5 -0.0 39 56 A A H 3< S+ 0 0 84 -4,-0.8 2,-0.4 1,-0.3 -1,-0.2 0.867 103.8 36.1 -61.3 -37.2 -63.3 -44.2 2.6 40 57 A D T 3< S+ 0 0 117 -4,-0.9 2,-0.4 -3,-0.4 -1,-0.3 -0.612 79.2 151.8-119.8 72.3 -62.1 -47.1 4.7 41 58 A L < - 0 0 28 -3,-0.7 2,-0.2 -2,-0.4 -3,-0.1 -0.847 38.3-130.2-102.3 134.8 -60.9 -49.8 2.3 42 59 A G >> - 0 0 26 -2,-0.4 4,-2.1 1,-0.1 3,-0.8 -0.543 26.7-104.4 -85.7 151.3 -58.1 -52.2 3.4 43 60 A A H >> S+ 0 0 8 1,-0.3 4,-1.7 2,-0.2 3,-0.6 0.861 123.5 45.8 -33.0 -61.6 -55.0 -52.9 1.4 44 61 A W H 3> S+ 0 0 61 1,-0.3 4,-1.0 184,-0.2 -1,-0.3 0.873 109.0 56.0 -55.1 -41.0 -56.4 -56.3 0.2 45 62 A Q H <> S+ 0 0 71 -3,-0.8 4,-0.8 1,-0.2 3,-0.3 0.872 105.1 54.2 -59.5 -37.2 -59.8 -54.7 -0.6 46 63 A I H XX S+ 0 0 17 -4,-2.1 4,-2.0 -3,-0.6 3,-1.6 0.945 100.1 56.7 -63.1 -51.2 -58.0 -52.3 -2.9 47 64 A A H 3X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.3 -1,-0.2 0.774 101.5 61.1 -53.1 -26.5 -56.2 -54.9 -5.0 48 65 A Q H 3< S+ 0 0 55 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.855 104.1 46.7 -69.7 -35.3 -59.7 -56.3 -5.6 49 66 A L H X< S+ 0 0 0 -3,-1.6 3,-0.9 -4,-0.8 -2,-0.2 0.867 109.1 55.1 -72.6 -37.5 -60.8 -53.0 -7.3 50 67 A A H 3< S+ 0 0 2 -4,-2.0 -2,-0.2 155,-0.4 -1,-0.2 0.924 115.2 38.7 -59.6 -41.9 -57.6 -53.0 -9.2 51 68 A R T 3< S+ 0 0 70 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.376 90.5 147.9 -88.6 4.5 -58.5 -56.5 -10.4 52 69 A H X - 0 0 2 -3,-0.9 3,-1.8 1,-0.1 -3,-0.1 -0.062 53.7-131.1 -43.8 131.7 -62.1 -55.4 -10.7 53 70 A P T 3 S+ 0 0 59 0, 0.0 -1,-0.1 0, 0.0 -51,-0.1 0.705 106.3 46.2 -60.8 -21.0 -64.0 -57.2 -13.5 54 71 A Q T 3 S+ 0 0 77 -53,-0.2 -2,-0.1 -5,-0.1 51,-0.1 0.244 83.5 129.4-107.1 13.9 -65.4 -53.9 -14.9 55 72 A R < - 0 0 0 -3,-1.8 204,-0.0 1,-0.1 129,-0.0 -0.474 65.6-105.2 -74.5 136.0 -62.2 -52.0 -14.8 56 73 A P - 0 0 3 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.313 37.4-156.0 -59.9 135.9 -61.1 -50.1 -17.9 57 74 A Y >> - 0 0 6 127,-0.0 4,-1.4 45,-0.0 3,-1.0 -0.494 35.8 -79.8-106.0 178.2 -58.2 -51.7 -19.8 58 75 A T H >> S+ 0 0 0 43,-1.0 4,-2.2 1,-0.3 3,-1.1 0.921 126.9 48.6 -41.3 -69.8 -55.7 -50.3 -22.2 59 76 A L H 3> S+ 0 0 48 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.749 103.7 64.0 -47.3 -29.7 -57.8 -50.1 -25.3 60 77 A D H <> S+ 0 0 29 -3,-1.0 4,-2.4 2,-0.2 -1,-0.3 0.947 108.6 38.3 -62.4 -48.3 -60.6 -48.4 -23.3 61 78 A Y H S+ 0 0 0 -4,-1.4 4,-3.7 -3,-1.1 5,-0.8 0.866 110.5 62.1 -69.8 -32.9 -58.4 -45.4 -22.6 62 79 A V H X5S+ 0 0 5 -4,-2.2 4,-1.3 -5,-0.3 -2,-0.2 0.946 114.1 34.8 -57.9 -43.3 -57.1 -45.6 -26.1 63 80 A R H <5S+ 0 0 159 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.808 121.3 48.9 -81.6 -27.5 -60.6 -45.0 -27.3 64 81 A L H <5S+ 0 0 47 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.848 127.6 16.2 -81.3 -32.0 -61.5 -42.7 -24.5 65 82 A A H <5S+ 0 0 5 -4,-3.7 2,-0.3 -5,-0.1 -3,-0.2 0.600 114.6 59.2-117.8 -14.2 -58.5 -40.3 -24.6 66 83 A F << - 0 0 10 -4,-1.3 2,-0.3 -5,-0.8 3,-0.2 -0.817 58.2-156.0-117.9 158.4 -56.7 -40.7 -27.9 67 84 A D E +A 90 0A 86 23,-1.8 23,-3.0 -2,-0.3 -4,-0.0 -0.880 68.8 28.3-129.3 162.1 -57.6 -40.3 -31.5 68 85 A E E S- 0 0 116 -2,-0.3 2,-0.8 21,-0.2 -1,-0.2 0.924 76.1-179.1 57.5 47.8 -56.3 -41.6 -34.8 69 86 A F E - 0 0 53 -3,-0.2 2,-0.7 20,-0.2 20,-0.3 -0.723 12.7-174.5 -88.8 109.6 -55.1 -44.8 -33.2 70 87 A D E -A 88 0A 105 18,-3.0 18,-1.6 -2,-0.8 2,-0.5 -0.895 17.1-143.8-105.2 113.0 -53.4 -47.3 -35.5 71 88 A E E -A 87 0A 90 -2,-0.7 16,-0.3 16,-0.3 2,-0.3 -0.670 11.6-151.2 -81.9 121.5 -52.4 -50.5 -33.8 72 89 A L - 0 0 37 14,-1.7 14,-0.4 -2,-0.5 2,-0.3 -0.637 13.2-148.1 -90.8 145.3 -49.2 -52.1 -34.9 73 90 A A + 0 0 60 -2,-0.3 3,-0.1 12,-0.1 7,-0.1 -0.824 37.9 9.9-121.5 156.3 -48.6 -55.8 -34.8 74 91 A G - 0 0 12 -2,-0.3 6,-0.2 1,-0.1 54,-0.0 0.344 57.8-109.3 73.1 161.8 -45.8 -58.3 -34.3 75 92 A D - 0 0 19 4,-1.3 -1,-0.1 53,-0.1 5,-0.1 0.301 52.4-114.2-108.5 1.1 -42.2 -58.5 -33.3 76 93 A R S S+ 0 0 202 3,-0.2 4,-0.1 -3,-0.1 -2,-0.1 0.541 102.5 53.8 75.6 9.5 -40.8 -59.3 -36.7 77 94 A A S S- 0 0 89 2,-0.3 -1,-0.1 44,-0.1 44,-0.0 0.605 117.4 -1.4-146.0 -18.9 -39.7 -62.8 -35.7 78 95 A Y S S- 0 0 143 1,-0.4 2,-0.3 43,-0.1 43,-0.0 0.556 103.1 -42.8-141.6 -56.5 -42.3 -65.0 -34.1 79 96 A A - 0 0 44 42,-0.2 -4,-1.3 2,-0.0 2,-0.6 -0.926 50.3 -88.2-165.4-172.5 -45.8 -63.7 -33.6 80 97 A D - 0 0 40 -2,-0.3 42,-0.1 -6,-0.2 2,-0.1 -0.866 41.4-141.2-118.4 94.0 -48.1 -60.9 -32.5 81 98 A D > - 0 0 13 -2,-0.6 3,-0.8 40,-0.4 -7,-0.1 -0.337 7.2-158.9 -58.8 126.6 -48.7 -61.2 -28.7 82 99 A K T 3 S+ 0 0 68 1,-0.2 -1,-0.2 30,-0.2 20,-0.1 0.494 86.1 71.6 -85.5 -4.7 -52.3 -60.4 -27.9 83 100 A A T 3 S+ 0 0 0 1,-0.1 19,-1.4 34,-0.1 2,-0.5 0.507 96.2 62.2 -86.8 -2.6 -51.5 -59.6 -24.3 84 101 A I E < - B 0 101A 1 -3,-0.8 2,-0.4 17,-0.2 17,-0.2 -0.974 65.4-168.3-128.2 124.0 -49.8 -56.5 -25.6 85 102 A V E + B 0 100A 0 15,-3.3 15,-3.2 -2,-0.5 2,-0.3 -0.903 19.1 157.2-109.4 136.6 -51.5 -53.6 -27.4 86 103 A G E + B 0 99A 0 -2,-0.4 -14,-1.7 -14,-0.4 2,-0.3 -0.987 2.4 126.0-158.5 148.1 -49.5 -50.9 -29.1 87 104 A G E -AB 71 98A 0 11,-2.4 11,-2.8 -2,-0.3 2,-0.5 -0.968 50.5 -74.4 174.9 171.3 -49.7 -48.3 -31.8 88 105 A I E +AB 70 97A 58 -18,-1.6 -18,-3.0 -2,-0.3 2,-0.3 -0.752 52.6 146.9 -92.1 124.8 -49.5 -44.8 -33.1 89 106 A A E - B 0 96A 2 7,-2.4 7,-3.8 -2,-0.5 2,-0.3 -0.843 42.2-105.0-143.0 176.2 -52.2 -42.2 -32.1 90 107 A R E -AB 67 95A 100 -23,-3.0 -23,-1.8 5,-0.3 2,-0.4 -0.791 13.1-158.3-107.9 152.1 -52.5 -38.5 -31.4 91 108 A L E > S- B 0 94A 3 3,-2.4 3,-0.8 -2,-0.3 -25,-0.1 -0.769 88.8 -28.2-129.4 83.0 -53.0 -36.9 -28.0 92 109 A D T 3 S- 0 0 100 -2,-0.4 2,-0.6 1,-0.2 -1,-0.1 0.956 129.9 -44.2 69.7 51.8 -54.5 -33.5 -28.8 93 110 A G T 3 S+ 0 0 43 1,-0.2 -1,-0.2 -26,-0.0 0, 0.0 -0.195 116.9 114.0 89.0 -42.6 -52.8 -33.5 -32.2 94 111 A R E < -B 91 0A 87 -3,-0.8 -3,-2.4 -2,-0.6 -1,-0.2 -0.475 67.9-128.9 -66.1 116.6 -49.5 -34.7 -30.8 95 112 A P E -B 90 0A 56 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.406 33.7-179.9 -68.7 146.3 -48.6 -38.1 -32.1 96 113 A V E -B 89 0A 0 -7,-3.8 -7,-2.4 42,-0.1 2,-0.6 -0.957 31.0-123.0-143.1 158.7 -47.7 -40.6 -29.5 97 114 A M E -Bc 88 140A 0 42,-2.7 44,-3.5 -2,-0.3 2,-0.5 -0.944 30.9-163.4-106.3 116.8 -46.7 -44.3 -29.2 98 115 A I E +Bc 87 141A 1 -11,-2.8 -11,-2.4 -2,-0.6 2,-0.4 -0.905 12.7 172.5-107.5 130.0 -49.1 -46.2 -26.9 99 116 A I E +Bc 86 142A 0 42,-2.0 44,-2.1 -2,-0.5 2,-0.3 -0.999 12.7 143.0-136.7 131.7 -48.2 -49.5 -25.4 100 117 A G E -Bc 85 143A 0 -15,-3.2 -15,-3.3 -2,-0.4 2,-0.4 -1.000 49.9 -88.3-164.9 166.4 -50.1 -51.6 -22.8 101 118 A H E -B 84 0A 0 42,-1.8 -43,-1.0 -2,-0.3 2,-0.7 -0.648 36.5-160.7 -78.7 125.9 -51.4 -54.8 -21.3 102 119 A Q + 0 0 12 -19,-1.4 14,-0.5 -2,-0.4 15,-0.1 -0.894 18.2 167.4-113.5 105.1 -54.7 -55.8 -22.8 103 120 A K - 0 0 19 -2,-0.7 13,-0.4 12,-0.2 12,-0.3 0.959 34.5-129.4 -75.9 -82.8 -56.7 -58.2 -20.6 104 121 A G - 0 0 2 11,-0.1 6,-0.1 1,-0.1 4,-0.1 -0.087 7.4-119.6 130.6 127.5 -60.2 -58.3 -21.9 105 122 A R S S+ 0 0 67 -2,-0.1 2,-0.1 4,-0.1 -1,-0.1 0.980 89.7 55.7 -51.8 -71.3 -63.6 -58.0 -20.4 106 123 A E S >> S- 0 0 121 1,-0.1 4,-2.9 4,-0.0 3,-1.9 -0.320 87.3-110.9 -79.3 149.4 -65.0 -61.4 -21.3 107 124 A T T 34 S+ 0 0 104 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.585 114.9 46.0 -72.7 88.8 -63.8 -64.9 -20.6 108 125 A K T 3> S+ 0 0 120 -2,-1.7 4,-1.4 -4,-0.1 -1,-0.3 -0.142 111.5 49.0 165.4 -39.7 -63.0 -65.7 -24.2 109 126 A E H <> S+ 0 0 54 -3,-1.9 4,-1.5 2,-0.2 6,-0.2 0.851 108.0 57.0 -83.1 -43.3 -61.1 -62.5 -24.9 110 127 A K H <>S+ 0 0 40 -4,-2.9 5,-3.0 1,-0.2 6,-0.2 0.873 109.8 45.6 -53.8 -37.3 -59.2 -63.2 -21.7 111 128 A I H >45S+ 0 0 104 -5,-0.3 3,-1.3 1,-0.2 -1,-0.2 0.903 108.0 54.6 -72.8 -42.6 -58.3 -66.5 -23.3 112 129 A R H 3<5S+ 0 0 125 -4,-1.4 -30,-0.2 1,-0.3 -1,-0.2 0.693 119.5 35.8 -64.5 -18.5 -57.4 -65.0 -26.6 113 130 A R T ><5S- 0 0 23 -4,-1.5 3,-3.4 -10,-0.2 4,-0.4 -0.160 107.1-115.7-128.0 38.2 -55.0 -62.6 -24.7 114 131 A N G X 5 - 0 0 55 -3,-1.3 3,-1.9 1,-0.3 -3,-0.2 0.732 68.6 -70.6 28.9 40.3 -53.6 -64.8 -21.9 115 132 A F G 3 > - 0 0 6 -2,-0.2 3,-4.0 30,-0.1 4,-0.9 -0.595 43.0 -93.9 -93.8 160.6 -44.9 -64.1 -23.8 120 137 A P H >> S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 3,-0.5 0.856 127.2 63.9 -46.6 -33.5 -41.4 -63.0 -24.6 121 138 A E H 3> S+ 0 0 20 1,-0.2 4,-0.7 2,-0.2 -40,-0.4 0.641 97.3 58.6 -66.5 -9.7 -42.6 -62.3 -28.1 122 139 A G H <> S+ 0 0 0 -3,-4.0 4,-2.7 2,-0.2 -1,-0.2 0.836 105.5 44.6 -86.6 -36.6 -44.8 -59.6 -26.6 123 140 A Y H <>S+ 0 0 0 -4,-2.1 5,-1.6 2,-0.2 3,-1.4 0.999 109.0 43.7 -60.3 -65.8 -41.2 -44.0 -31.3 134 151 A E H ><5S+ 0 0 63 -4,-2.2 3,-1.7 1,-0.3 -2,-0.2 0.920 107.3 60.7 -43.9 -56.3 -37.7 -42.8 -30.6 135 152 A R H 3<5S+ 0 0 149 -4,-2.5 -1,-0.3 1,-0.3 2,-0.2 0.828 111.0 41.4 -42.9 -39.1 -36.8 -43.1 -34.3 136 153 A F T <<5S- 0 0 130 -4,-1.4 -1,-0.3 -3,-1.4 -2,-0.2 -0.360 116.8-108.7-110.5 53.7 -39.5 -40.6 -35.1 137 154 A K T < 5S+ 0 0 186 -3,-1.7 -3,-0.2 -2,-0.2 -2,-0.1 0.750 71.9 151.1 22.3 55.1 -38.9 -38.2 -32.2 138 155 A M < - 0 0 13 -5,-1.6 -42,-0.1 -8,-0.1 -1,-0.1 -0.838 47.3-116.6-115.6 148.2 -42.1 -39.4 -30.6 139 156 A P - 0 0 4 0, 0.0 -42,-2.7 0, 0.0 2,-0.5 -0.453 23.6-138.8 -79.6 154.4 -43.3 -39.7 -27.0 140 157 A I E -cd 97 178A 0 37,-2.4 39,-1.8 -44,-0.2 2,-0.5 -0.966 17.5-175.7-120.0 124.4 -44.1 -43.1 -25.5 141 158 A I E -cd 98 179A 0 -44,-3.5 -42,-2.0 -2,-0.5 2,-0.3 -0.975 7.6-172.7-121.9 117.9 -47.0 -43.7 -23.2 142 159 A T E -cd 99 180A 0 37,-1.8 39,-2.1 -2,-0.5 2,-0.5 -0.842 14.8-152.4-112.8 148.8 -47.5 -47.1 -21.6 143 160 A F E -cd 100 181A 0 -44,-2.1 -42,-1.8 -2,-0.3 2,-0.5 -0.960 15.3-153.0-121.3 109.7 -50.4 -48.5 -19.5 144 161 A I E + d 0 182A 0 37,-2.7 40,-1.7 -2,-0.5 39,-0.9 -0.719 36.7 134.8 -89.7 127.5 -49.5 -51.1 -17.0 145 162 A D E + 0 0 0 -2,-0.5 41,-0.2 38,-0.2 -87,-0.1 -0.435 26.7 125.5-170.5 81.5 -52.0 -53.7 -16.0 146 163 A T E - d 0 186A 0 39,-3.0 41,-1.3 1,-0.1 3,-0.1 -0.994 59.6-133.5-150.0 141.9 -50.9 -57.4 -15.9 147 164 A P S S- 0 0 43 0, 0.0 2,-0.2 0, 0.0 65,-0.1 0.694 80.0 -84.0 -64.1 -14.7 -50.9 -60.3 -13.4 148 165 A G - 0 0 4 -32,-0.3 2,-0.2 42,-0.1 40,-0.1 -0.719 66.5 -32.4 135.2 175.1 -47.3 -60.6 -14.6 149 166 A A S S- 0 0 6 -2,-0.2 -30,-0.1 -32,-0.2 -32,-0.1 -0.455 74.6 -98.1 -66.7 129.3 -45.2 -62.2 -17.4 150 167 A Y - 0 0 69 -32,-1.5 2,-0.6 -2,-0.2 -1,-0.1 -0.241 35.8-147.3 -52.6 119.6 -46.7 -65.4 -18.7 151 168 A P + 0 0 19 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.811 45.0 116.9 -91.7 119.0 -44.9 -68.3 -17.0 152 169 A G S > S- 0 0 3 -2,-0.6 4,-1.1 1,-0.1 352,-0.2 -0.915 72.2 -93.4-162.7-170.9 -44.7 -71.3 -19.4 153 170 A V H > S+ 0 0 38 -2,-0.3 4,-3.8 2,-0.2 5,-0.3 0.931 121.6 41.3 -83.9 -52.6 -42.6 -73.6 -21.3 154 171 A G H > S+ 0 0 13 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.853 112.5 58.5 -62.3 -33.8 -42.5 -71.8 -24.6 155 172 A A H 4>S+ 0 0 4 2,-0.2 5,-2.0 1,-0.2 -1,-0.2 0.953 114.7 35.0 -59.4 -51.3 -42.1 -68.6 -22.7 156 173 A E H ><5S+ 0 0 22 -4,-1.1 3,-3.2 3,-0.2 -2,-0.2 0.980 116.4 53.4 -67.0 -56.2 -38.9 -69.9 -21.1 157 174 A E H 3<5S+ 0 0 63 -4,-3.8 -1,-0.2 1,-0.3 -2,-0.2 0.707 113.8 47.4 -51.3 -20.8 -37.9 -71.8 -24.2 158 175 A R T 3<5S- 0 0 74 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.258 126.3 -95.4-107.5 11.1 -38.3 -68.5 -26.0 159 176 A G T <>5 + 0 0 14 -3,-3.2 4,-3.3 3,-0.1 5,-0.3 0.858 53.6 166.7 84.4 39.2 -36.5 -66.3 -23.6 160 177 A Q H >> S+ 0 0 7 2,-0.2 4,-2.6 -5,-0.2 3,-0.5 0.999 114.0 41.2 -67.8 -66.2 -36.1 -63.7 -19.1 162 179 A E H 3> S+ 0 0 59 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.857 112.4 57.9 -48.3 -43.0 -33.9 -62.1 -21.7 163 180 A A H 3X S+ 0 0 1 -4,-3.3 4,-0.8 2,-0.2 -1,-0.2 0.917 111.5 40.2 -54.1 -50.9 -36.9 -60.5 -23.3 164 181 A I H XX S+ 0 0 0 -4,-1.6 4,-2.0 -3,-0.5 3,-0.7 0.944 117.6 48.1 -63.6 -53.6 -37.8 -58.7 -20.1 165 182 A A H 3X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.3 -2,-0.2 0.955 106.3 56.1 -53.3 -56.1 -34.2 -57.8 -19.2 166 183 A R H 3X S+ 0 0 88 -4,-3.4 4,-2.2 1,-0.2 -1,-0.3 0.775 108.6 50.7 -51.1 -26.1 -33.4 -56.5 -22.7 167 184 A N H X S+ 0 0 31 -4,-2.2 4,-1.2 -5,-0.2 3,-0.6 0.990 117.1 41.4 -73.0 -63.2 -31.9 -52.0 -20.5 170 187 A E H 3< S+ 0 0 29 -4,-2.2 4,-0.3 1,-0.2 -2,-0.2 0.805 110.4 58.3 -54.4 -34.7 -33.2 -50.5 -23.8 171 188 A M H >< S+ 0 0 2 -4,-3.4 3,-1.6 1,-0.2 -1,-0.2 0.910 100.9 55.2 -65.6 -40.6 -36.0 -48.5 -22.2 172 189 A S H << S+ 0 0 10 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.875 107.9 49.7 -60.0 -36.8 -33.6 -46.6 -19.9 173 190 A R T 3< S+ 0 0 68 -4,-1.2 -1,-0.3 119,-0.1 -2,-0.2 0.461 81.6 132.5 -82.0 0.6 -31.6 -45.5 -22.9 174 191 A L < - 0 0 6 -3,-1.6 2,-0.1 -4,-0.3 4,-0.1 -0.287 52.0-145.6 -58.2 132.1 -34.7 -44.3 -24.7 175 192 A G S S+ 0 0 17 2,-0.1 -1,-0.1 113,-0.0 110,-0.1 -0.100 71.0 58.0 -93.8 35.6 -34.3 -40.8 -26.2 176 193 A V S S- 0 0 11 -2,-0.1 2,-0.2 109,-0.1 -42,-0.1 -0.896 96.9 -72.7-147.2 173.6 -37.8 -39.4 -25.8 177 194 A P - 0 0 15 0, 0.0 -37,-2.4 0, 0.0 2,-0.4 -0.499 42.6-164.7 -76.1 144.2 -40.1 -38.8 -22.9 178 195 A V E -d 140 0A 0 -2,-0.2 20,-2.7 -39,-0.2 21,-1.4 -0.928 5.3-171.1-134.2 109.0 -41.8 -41.9 -21.4 179 196 A V E -de 141 199A 0 -39,-1.8 -37,-1.8 -2,-0.4 2,-0.5 -0.882 8.8-165.1-102.6 123.2 -44.8 -41.6 -19.1 180 197 A C E -de 142 200A 0 19,-3.6 21,-0.9 -2,-0.6 2,-0.5 -0.932 6.4-176.4-114.1 126.5 -45.8 -44.9 -17.4 181 198 A T E -de 143 201A 0 -39,-2.1 -37,-2.7 -2,-0.5 2,-1.2 -0.966 22.3-144.4-124.6 127.4 -49.2 -45.3 -15.7 182 199 A V E +de 144 202A 0 19,-1.7 21,-1.5 -2,-0.5 24,-0.2 -0.742 25.5 171.5 -88.1 97.6 -50.4 -48.4 -13.8 183 200 A I E - 0 0 0 -2,-1.2 -38,-0.2 -39,-0.9 -1,-0.2 0.601 69.6 -10.7 -82.8 -11.3 -54.0 -48.4 -14.7 184 201 A G E S+ 0 0 0 -40,-1.7 23,-1.7 23,-0.1 2,-0.7 0.010 120.4 2.1-143.6-105.8 -54.7 -51.7 -13.1 185 202 A E E - f 0 207A 21 21,-0.2 -39,-3.0 -135,-0.2 2,-1.6 -0.885 52.3-154.9-104.3 109.3 -52.5 -54.5 -11.7 186 203 A G E -df 146 208A 0 21,-1.1 23,-2.4 -2,-0.7 2,-0.5 -0.634 25.0-170.6 -85.6 87.5 -48.8 -53.7 -11.7 187 204 A G E >> - f 0 209A 5 -2,-1.6 4,-1.0 -41,-1.3 3,-0.6 -0.696 33.0 -68.2 -92.7 121.1 -47.4 -57.3 -11.7 188 205 A S H >> S- 0 0 31 21,-1.7 4,-1.4 -2,-0.5 3,-1.0 0.146 90.4 -42.8 41.7-156.9 -43.8 -58.2 -11.3 189 206 A G H 3> S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.506 129.5 76.5 -80.3 -6.5 -41.2 -57.4 -13.9 190 207 A G H <4 S+ 0 0 0 -3,-0.6 -1,-0.2 2,-0.2 -2,-0.2 0.668 107.0 34.7 -74.5 -17.4 -43.6 -58.5 -16.6 191 208 A A H X< S+ 0 0 0 -3,-1.0 3,-1.5 -4,-1.0 -2,-0.2 0.719 114.0 57.7-100.2 -37.3 -45.2 -55.1 -15.9 192 209 A L H >< S+ 0 0 2 -4,-1.4 3,-1.8 -5,-0.3 4,-0.5 0.735 86.1 81.8 -64.7 -22.4 -41.8 -53.5 -15.2 193 210 A A T 3< S+ 0 0 0 -4,-1.4 -1,-0.3 1,-0.3 -3,-0.1 0.539 111.0 20.9 -61.0 -8.4 -40.8 -54.6 -18.7 194 211 A I T < S+ 0 0 0 -3,-1.5 -1,-0.3 -5,-0.0 -2,-0.2 0.022 108.3 82.9-148.3 26.9 -42.6 -51.5 -19.9 195 212 A G < + 0 0 5 -3,-1.8 2,-1.7 -6,-0.1 -2,-0.2 0.320 51.0 111.6-116.0 5.4 -42.7 -49.4 -16.8 196 213 A V + 0 0 7 -4,-0.5 2,-0.2 -17,-0.1 3,-0.1 -0.614 52.7 146.8 -81.6 86.7 -39.2 -47.8 -16.9 197 214 A G - 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