==== 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 TRANSFERASE 17-FEB-06 2G2Z . COMPND 2 MOLECULE: MALONYL COA-ACYL CARRIER PROTEIN TRANSACYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR CHRISTIAN OEFNER . 307 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12501.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 241 78.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 22 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 39.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 1 2 1 2 0 3 0 2 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 3 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 . 0 0 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A Q 0 0 157 0, 0.0 267,-2.9 0, 0.0 268,-2.0 0.000 360.0 360.0 360.0 -70.0 53.3 15.9 11.1 2 4 A F E -a 269 0A 31 266,-0.2 82,-3.0 265,-0.2 83,-0.6 -0.840 360.0-163.7-108.5 151.8 56.0 18.5 11.7 3 5 A A E -ab 270 85A 0 266,-2.2 268,-2.1 -2,-0.3 2,-0.4 -0.931 19.3-128.4-118.1 151.8 57.5 20.0 14.8 4 6 A F E -ab 271 86A 0 81,-1.9 83,-1.7 -2,-0.4 2,-0.4 -0.826 25.9-165.0 -92.6 137.6 59.7 23.1 15.2 5 7 A V E -ab 272 87A 1 266,-2.5 268,-1.5 -2,-0.4 83,-0.3 -0.992 5.1-148.0-130.0 143.2 62.9 22.6 17.2 6 8 A F E - b 0 88A 0 81,-2.4 83,-2.9 -2,-0.4 86,-0.2 -0.887 5.1-146.3-124.5 118.3 65.0 25.3 18.7 7 9 A P - 0 0 3 0, 0.0 2,-0.2 0, 0.0 88,-0.2 -0.034 15.6-177.3 -71.6 168.5 68.8 25.4 19.3 8 10 A G > + 0 0 2 1,-0.3 3,-1.7 83,-0.2 4,-0.2 -0.620 49.2 5.3-144.5-148.2 70.8 27.0 22.0 9 11 A Q T 3 S+ 0 0 59 1,-0.2 -1,-0.3 -2,-0.2 83,-0.1 0.037 119.1 38.3 -48.7 139.4 74.4 27.5 23.1 10 12 A G T 3 S+ 0 0 58 -3,-0.1 -1,-0.2 45,-0.0 45,-0.0 -0.022 96.7 81.5 111.9 -27.3 76.8 26.2 20.4 11 13 A S < + 0 0 10 -3,-1.7 -2,-0.1 265,-0.1 267,-0.0 0.659 63.0 113.5 -91.8 -16.5 74.8 27.3 17.4 12 14 A Q + 0 0 26 -4,-0.2 2,-0.3 42,-0.1 48,-0.0 -0.194 38.2 175.4 -48.3 136.4 75.9 31.0 17.4 13 15 A T > - 0 0 83 33,-0.1 3,-2.1 263,-0.0 2,-0.4 -0.966 38.7-114.1-137.9 151.0 77.9 32.3 14.5 14 16 A V T 3 S+ 0 0 63 -2,-0.3 33,-0.2 1,-0.3 32,-0.1 -0.621 112.6 30.0 -65.4 123.0 79.2 35.7 13.6 15 17 A G T > S+ 0 0 29 31,-2.5 3,-2.0 -2,-0.4 4,-0.3 0.238 85.0 156.4 109.8 -11.7 77.2 36.3 10.5 16 18 A M T < + 0 0 10 -3,-2.1 -1,-0.3 30,-0.5 -4,-0.0 -0.170 67.3 7.0 -65.2 141.7 74.2 34.2 11.3 17 19 A L T 3> S+ 0 0 7 279,-0.3 4,-3.4 1,-0.1 -1,-0.3 0.408 85.6 129.7 72.4 0.3 70.9 35.0 9.5 18 20 A A H <> S+ 0 0 38 -3,-2.0 4,-1.4 1,-0.2 -2,-0.1 0.930 74.7 45.1 -47.4 -51.0 72.7 37.5 7.3 19 21 A D H > S+ 0 0 93 -4,-0.3 4,-0.9 1,-0.2 -1,-0.2 0.888 113.2 48.7 -63.7 -39.7 71.1 35.9 4.2 20 22 A M H >> S+ 0 0 0 276,-0.3 3,-1.9 1,-0.2 4,-1.3 0.972 106.9 57.7 -68.9 -41.8 67.7 35.7 5.7 21 23 A A H 3< S+ 0 0 11 -4,-3.4 3,-0.3 1,-0.3 -1,-0.2 0.835 101.0 56.9 -54.4 -34.6 67.9 39.3 6.8 22 24 A A H 3< S+ 0 0 92 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.780 115.7 35.1 -72.6 -23.2 68.5 40.4 3.2 23 25 A S H << S+ 0 0 77 -3,-1.9 -1,-0.2 -4,-0.9 -2,-0.2 0.498 121.1 46.8-108.9 -4.1 65.3 38.8 2.0 24 26 A Y >< - 0 0 24 -4,-1.3 3,-2.3 -3,-0.3 4,-0.5 -0.747 58.4-165.2-147.2 92.8 63.1 39.4 5.1 25 27 A P T 3> S+ 0 0 93 0, 0.0 4,-1.9 0, 0.0 3,-0.3 0.683 84.5 72.3 -44.7 -25.8 63.1 42.8 6.8 26 28 A I H 3> S+ 0 0 21 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.765 82.3 69.2 -76.5 -19.3 61.4 41.4 9.9 27 29 A V H <> S+ 0 0 0 -3,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.957 109.3 35.5 -55.5 -51.0 64.6 39.7 11.0 28 30 A E H > S+ 0 0 96 -4,-0.5 4,-2.3 -3,-0.3 -2,-0.2 0.857 112.1 57.5 -73.4 -35.1 66.2 43.1 11.7 29 31 A E H X S+ 0 0 108 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.962 109.8 51.3 -57.8 -38.9 63.0 44.7 12.9 30 32 A T H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.3 -2,-0.2 0.897 107.7 46.3 -66.8 -45.3 63.1 41.8 15.3 31 33 A F H X S+ 0 0 3 -4,-1.7 4,-2.9 1,-0.2 11,-0.4 0.813 110.1 58.2 -67.3 -25.2 66.7 42.4 16.5 32 34 A A H X S+ 0 0 56 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.960 101.6 53.1 -66.5 -47.0 65.8 46.0 16.9 33 35 A E H < S+ 0 0 91 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.878 116.3 39.4 -57.4 -36.1 63.0 45.2 19.3 34 36 A A H >X S+ 0 0 1 -4,-1.6 4,-1.9 2,-0.2 3,-1.7 0.866 108.7 59.5 -84.9 -38.8 65.4 43.2 21.4 35 37 A S H 3X>S+ 0 0 14 -4,-2.9 4,-2.6 1,-0.3 5,-1.2 0.900 103.2 55.1 -50.2 -41.2 68.3 45.6 21.1 36 38 A A H 3<5S+ 0 0 88 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.587 110.3 46.0 -72.7 -9.9 65.9 48.2 22.6 37 39 A A H <45S+ 0 0 27 -3,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.675 116.6 41.5-104.0 -25.2 65.4 45.9 25.6 38 40 A L H <5S- 0 0 23 -4,-1.9 -2,-0.2 2,-0.3 -3,-0.2 0.705 106.3-125.2 -89.8 -27.1 69.1 45.0 26.1 39 41 A G T <5S+ 0 0 70 -4,-2.6 2,-0.3 1,-0.3 -3,-0.2 0.796 79.1 76.1 82.7 28.7 70.2 48.5 25.5 40 42 A Y S + 0 0 94 -2,-0.3 4,-1.4 1,-0.2 -9,-0.1 -0.696 40.4 175.8 -82.4 104.0 72.7 46.6 19.2 42 44 A L H > S+ 0 0 0 -2,-1.0 4,-2.6 -11,-0.4 -1,-0.2 0.803 79.5 53.9 -82.2 -31.5 72.3 42.9 19.2 43 45 A W H > S+ 0 0 34 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.950 108.9 49.3 -64.5 -47.2 72.2 42.6 15.5 44 46 A A H > S+ 0 0 25 1,-0.2 4,-2.1 2,-0.2 5,-0.5 0.901 109.4 55.0 -61.6 -36.2 75.5 44.4 15.3 45 47 A L H X S+ 0 0 19 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.978 111.8 40.8 -57.2 -55.7 76.7 42.0 17.9 46 48 A T H < S+ 0 0 0 -4,-2.6 -31,-2.5 1,-0.2 -30,-0.5 0.776 118.7 46.8 -66.1 -28.0 75.8 39.0 15.8 47 49 A Q H < S+ 0 0 42 -4,-2.3 -1,-0.2 -33,-0.2 -2,-0.2 0.815 128.5 18.9 -86.9 -30.5 77.0 40.4 12.5 48 50 A Q H < S+ 0 0 147 -4,-2.1 -2,-0.2 -5,-0.3 -3,-0.2 0.590 92.6 152.9-117.1 -16.1 80.3 41.8 13.5 49 51 A G < - 0 0 15 -4,-2.4 -1,-0.2 -5,-0.5 2,-0.2 -0.391 54.5-131.2 59.0-141.6 81.2 40.0 16.7 50 52 A P > - 0 0 83 0, 0.0 4,-2.9 0, 0.0 3,-0.4 0.443 24.6-137.5 -66.6 164.2 83.7 39.5 17.8 51 53 A A H > S+ 0 0 46 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.907 101.7 65.1 -41.5 -56.6 83.1 35.8 18.5 52 54 A E H 4 S+ 0 0 168 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.904 113.7 35.6 -42.2 -42.0 84.8 36.1 21.9 53 55 A E H >4 S+ 0 0 64 -3,-0.4 3,-2.9 1,-0.2 -2,-0.2 0.957 113.0 53.4 -82.1 -54.2 82.0 38.4 22.8 54 56 A L H 3< S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.700 107.3 58.7 -54.2 -19.4 79.1 36.8 20.9 55 57 A N T 3< S+ 0 0 74 -4,-2.6 2,-0.3 -5,-0.2 -1,-0.3 0.501 74.7 107.4 -92.2 -4.2 80.1 33.6 22.7 56 58 A K S X> S- 0 0 70 -3,-2.9 3,-2.3 -5,-0.2 4,-2.2 -0.635 77.5-127.9 -77.6 133.4 79.7 35.0 26.2 57 59 A T H 3> S+ 0 0 6 -2,-0.3 4,-2.4 1,-0.3 59,-0.2 0.768 101.4 60.3 -64.3 -31.2 76.5 33.3 27.5 58 60 A W H 34 S+ 0 0 64 58,-0.3 -1,-0.3 1,-0.2 59,-0.1 0.517 117.8 34.2 -77.2 -0.3 74.6 36.3 28.7 59 61 A Q H <> S+ 0 0 29 -3,-2.3 4,-2.4 -6,-0.2 -2,-0.2 0.626 114.0 57.6-115.3 -30.5 74.7 37.6 25.1 60 62 A T H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.935 103.4 53.6 -61.9 -47.0 74.5 34.3 23.3 61 63 A Q H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.951 112.2 43.3 -60.6 -45.7 71.3 33.4 24.9 62 64 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.915 113.8 52.0 -66.5 -39.1 69.6 36.7 23.8 63 65 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.969 113.3 42.7 -63.0 -52.0 71.1 36.5 20.3 64 66 A L H X S+ 0 0 3 -4,-3.1 4,-2.6 1,-0.2 5,-0.3 0.928 111.9 53.7 -59.9 -49.1 69.9 32.9 19.7 65 67 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.907 112.3 47.9 -44.5 -44.6 66.5 33.6 21.2 66 68 A T H X S+ 0 0 0 -4,-2.0 4,-2.9 -5,-0.2 -2,-0.2 0.941 108.7 50.4 -72.5 -48.5 66.3 36.5 18.8 67 69 A A H X S+ 0 0 0 -4,-3.0 4,-3.1 1,-0.2 5,-0.2 0.936 113.9 47.1 -49.3 -44.9 67.4 34.6 15.7 68 70 A S H X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.951 112.0 46.5 -72.4 -46.0 64.8 32.0 16.4 69 71 A V H X S+ 0 0 5 -4,-2.5 4,-2.9 -5,-0.3 -1,-0.2 0.918 113.1 52.8 -61.7 -40.0 61.9 34.3 17.1 70 72 A A H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.986 109.4 46.4 -57.9 -61.3 62.9 36.2 14.0 71 73 A L H X S+ 0 0 1 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.837 112.9 51.7 -50.4 -34.0 62.9 33.0 11.8 72 74 A Y H X S+ 0 0 15 -4,-2.5 4,-2.1 -5,-0.2 5,-0.3 0.961 105.3 54.5 -69.6 -46.1 59.6 32.0 13.3 73 75 A R H X S+ 0 0 67 -4,-2.9 4,-2.4 1,-0.3 -2,-0.2 0.873 106.6 52.9 -53.4 -37.9 58.1 35.4 12.6 74 76 A V H X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.3 0.940 104.7 55.6 -62.3 -42.8 59.1 34.9 9.0 75 77 A W H <>S+ 0 0 10 -4,-1.7 5,-2.7 1,-0.3 3,-0.5 0.954 113.3 39.6 -57.6 -50.2 57.3 31.6 8.9 76 78 A Q H ><5S+ 0 0 106 -4,-2.1 3,-2.2 1,-0.3 -1,-0.3 0.853 108.7 61.8 -65.8 -36.8 54.0 33.1 10.0 77 79 A Q H 3<5S+ 0 0 100 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.887 106.8 46.7 -57.5 -35.3 54.5 36.1 7.9 78 80 A Q T 3<5S- 0 0 105 -4,-1.9 -1,-0.3 -3,-0.5 -2,-0.2 0.164 126.8 -98.3 -97.1 18.8 54.5 33.9 4.9 79 81 A G T < 5 + 0 0 67 -3,-2.2 -3,-0.2 1,-0.2 2,-0.2 0.839 61.5 171.2 62.6 33.2 51.5 31.9 5.9 80 82 A G < - 0 0 12 -5,-2.7 -1,-0.2 -6,-0.2 2,-0.2 -0.510 34.0-119.4 -55.4 134.9 53.5 29.1 7.4 81 83 A K - 0 0 165 -2,-0.2 -1,-0.1 1,-0.1 -5,-0.0 -0.567 32.1 -98.7 -81.1 153.1 51.2 26.7 9.3 82 84 A A - 0 0 48 -2,-0.2 -80,-0.1 1,-0.1 -1,-0.1 -0.471 40.1-113.6 -76.6 142.2 51.8 26.2 12.9 83 85 A P - 0 0 7 0, 0.0 -80,-0.2 0, 0.0 3,-0.1 -0.155 13.6-127.0 -73.0 166.4 53.8 23.1 13.9 84 86 A A S S+ 0 0 51 -82,-3.0 2,-0.3 1,-0.3 -81,-0.2 0.799 88.6 7.7 -80.6 -29.1 52.2 20.3 15.9 85 87 A M E -b 3 0A 15 -83,-0.6 -81,-1.9 139,-0.1 2,-0.4 -0.989 64.1-156.3-152.8 141.3 54.8 20.3 18.5 86 88 A M E +bc 4 226A 0 139,-2.4 141,-2.1 -2,-0.3 2,-0.3 -0.983 10.9 173.3-125.3 152.2 57.9 22.3 19.6 87 89 A A E -b 5 0A 0 -83,-1.7 -81,-2.4 -2,-0.4 2,-0.4 -0.978 10.9-160.9-141.7 155.7 61.0 21.6 21.6 88 90 A G E -b 6 0A 0 139,-0.4 2,-0.7 -2,-0.3 5,-0.5 -0.999 21.6-124.1-141.1 131.5 64.1 23.7 22.3 89 91 A H S > S- 0 0 17 -83,-2.9 3,-2.2 -2,-0.4 2,-0.4 -0.656 70.1 -52.9 -83.1 115.2 67.5 22.5 23.4 90 92 A S T > S+ 0 0 11 -2,-0.7 3,-2.1 1,-0.3 4,-0.5 -0.407 143.9 17.5 58.2-111.0 68.5 24.3 26.6 91 93 A L T >> S+ 0 0 1 -2,-0.4 3,-2.3 1,-0.3 4,-0.9 0.886 117.9 74.9 -63.6 -33.7 68.1 28.0 25.8 92 94 A G H <> S+ 0 0 0 -3,-2.2 4,-2.6 1,-0.3 3,-0.3 0.778 80.3 69.1 -38.3 -38.6 66.0 26.8 22.9 93 95 A E H <> S+ 0 0 2 -3,-2.1 4,-2.1 -5,-0.5 -1,-0.3 0.866 96.4 54.3 -59.3 -32.5 63.2 26.0 25.4 94 96 A Y H <> S+ 0 0 0 -3,-2.3 4,-2.1 -4,-0.5 -1,-0.3 0.890 108.4 47.7 -65.5 -39.3 62.8 29.7 25.9 95 97 A S H X S+ 0 0 0 -4,-0.9 4,-3.0 -3,-0.3 5,-0.3 0.971 109.7 52.2 -69.7 -52.9 62.4 30.3 22.2 96 98 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.927 110.4 50.5 -31.3 -57.1 59.9 27.6 21.9 97 99 A L H <>S+ 0 0 3 -4,-2.1 5,-3.2 -5,-0.2 6,-0.9 0.870 109.9 48.2 -69.5 -34.9 58.0 29.3 24.8 98 100 A V H ><5S+ 0 0 14 -4,-2.1 3,-1.6 4,-0.2 -1,-0.2 0.963 115.1 44.3 -62.6 -51.6 58.0 32.7 23.1 99 101 A C H 3<5S+ 0 0 15 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.817 107.6 58.8 -68.4 -31.4 56.8 31.4 19.8 100 102 A A T 3<5S- 0 0 0 -4,-2.8 123,-1.8 -5,-0.3 124,-0.3 0.413 118.6-119.7 -70.5 0.9 54.2 29.2 21.6 101 103 A G T < 5S+ 0 0 38 -3,-1.6 -3,-0.2 -5,-0.2 -2,-0.2 0.757 80.8 119.8 65.5 26.9 53.1 32.6 22.9 102 104 A V S - 0 0 75 114,-0.4 4,-2.6 -2,-0.4 5,-0.2 -0.450 29.7-115.6 -72.0 146.2 56.3 37.7 25.6 105 107 A F H > S+ 0 0 20 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.746 110.6 45.9 -48.7 -34.4 59.4 38.3 23.4 106 108 A A H > S+ 0 0 25 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.874 111.0 50.2 -91.4 -35.8 60.8 41.2 25.4 107 109 A D H > S+ 0 0 37 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.944 112.4 50.6 -53.0 -48.7 60.4 39.7 28.8 108 110 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.928 108.0 53.3 -56.2 -45.1 62.1 36.6 27.3 109 111 A V H X S+ 0 0 0 -4,-1.7 4,-1.0 1,-0.2 -1,-0.2 0.918 114.3 38.5 -61.6 -44.2 64.9 38.7 25.9 110 112 A R H X S+ 0 0 101 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.887 115.2 58.6 -71.8 -34.6 65.7 40.4 29.3 111 113 A L H X S+ 0 0 1 -4,-3.0 4,-2.6 -5,-0.3 -2,-0.2 0.955 104.3 45.4 -59.6 -54.9 65.1 37.0 30.9 112 114 A V H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.758 111.3 55.5 -70.3 -20.3 67.7 35.0 29.1 113 115 A E H X S+ 0 0 36 -4,-1.0 4,-1.5 -5,-0.3 -1,-0.2 0.932 109.1 45.5 -73.2 -43.2 70.2 37.8 29.6 114 116 A M H X S+ 0 0 52 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.895 111.2 55.3 -61.9 -36.5 69.7 37.7 33.3 115 117 A R H X S+ 0 0 1 -4,-2.6 4,-3.4 1,-0.3 -2,-0.2 0.986 104.2 52.7 -60.4 -60.2 69.9 33.9 33.0 116 118 A G H X S+ 0 0 0 -4,-2.3 4,-3.1 -59,-0.2 -58,-0.3 0.827 111.4 48.3 -29.6 -46.8 73.3 34.2 31.3 117 119 A K H X S+ 0 0 93 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.980 110.5 46.4 -77.2 -54.5 74.4 36.3 34.2 118 120 A F H X S+ 0 0 24 -4,-2.7 4,-0.5 2,-0.2 -1,-0.2 0.901 116.0 50.3 -47.9 -43.9 73.2 34.1 37.1 119 121 A M H >X S+ 0 0 2 -4,-3.4 3,-2.7 -5,-0.3 4,-0.9 0.995 110.4 46.0 -61.0 -63.3 74.8 31.3 35.2 120 122 A Q H 3< S+ 0 0 36 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.715 113.5 50.8 -51.2 -25.7 78.2 32.9 34.6 121 123 A E H 3< S+ 0 0 122 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.450 95.2 68.4-103.7 2.8 78.4 34.0 38.1 122 124 A A H << S+ 0 0 30 -3,-2.7 -1,-0.2 -4,-0.5 -2,-0.2 0.743 110.1 33.3 -92.0 -25.7 77.6 30.7 39.7 123 125 A V S < S- 0 0 8 -4,-0.9 -1,-0.3 -3,-0.1 2,-0.1 -0.975 82.9-128.4-133.8 129.7 80.9 29.3 38.5 124 126 A P > - 0 0 87 0, 0.0 3,-2.1 0, 0.0 4,-0.4 -0.441 44.4 -94.7 -69.0 138.5 84.2 31.2 38.1 125 127 A E T 3 S+ 0 0 143 1,-0.3 70,-0.1 2,-0.2 71,-0.1 -0.200 113.2 25.8 -65.6 143.8 85.7 30.7 34.6 126 128 A G T 3 S+ 0 0 41 2,-0.3 -1,-0.3 69,-0.2 45,-0.0 0.400 101.6 93.7 83.3 -2.6 88.2 27.9 34.4 127 129 A T S < S+ 0 0 52 -3,-2.1 44,-2.8 68,-0.1 45,-0.3 0.863 87.4 31.3 -79.8 -42.3 86.5 26.4 37.4 128 130 A G E -E 170 0B 10 -4,-0.4 2,-0.3 67,-0.3 -2,-0.3 -0.484 62.7-167.1-117.3-178.7 84.2 24.2 35.3 129 131 A A E -E 169 0B 21 40,-1.9 40,-1.3 -2,-0.2 2,-0.3 -0.993 12.6-148.7-164.0 156.3 84.0 22.2 32.1 130 132 A M E -EF 168 192B 16 62,-0.6 62,-2.3 -2,-0.3 2,-0.3 -0.971 16.7-173.2-129.9 147.1 81.8 20.4 29.6 131 133 A A E -EF 167 191B 5 36,-1.9 36,-2.4 -2,-0.3 2,-0.6 -0.986 20.9-132.0-139.0 150.0 82.9 17.4 27.4 132 134 A A E -EF 166 190B 5 58,-2.5 58,-2.4 -2,-0.3 2,-0.8 -0.904 17.0-153.6-106.7 116.0 81.1 15.5 24.6 133 135 A I E -EF 165 189B 0 32,-3.1 32,-1.7 -2,-0.6 2,-0.7 -0.773 11.0-161.5 -93.7 111.1 81.3 11.8 25.0 134 136 A I E +EF 164 188B 39 54,-3.1 54,-1.8 -2,-0.8 53,-1.5 -0.837 64.2 5.5 -95.4 120.0 81.0 10.2 21.6 135 137 A G S S+ 0 0 40 28,-1.0 2,-0.3 -2,-0.7 -1,-0.2 0.649 88.0 110.4 97.1 24.8 80.1 6.6 21.5 136 138 A L - 0 0 10 -3,-0.4 27,-0.6 50,-0.1 -1,-0.3 -0.936 65.0-108.0-122.2 152.4 79.2 5.2 25.0 137 139 A D > - 0 0 92 -2,-0.3 4,-1.2 25,-0.1 3,-0.2 -0.345 37.4-105.3 -68.4 158.2 75.8 4.1 26.3 138 140 A D H > S+ 0 0 77 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.821 113.8 50.4 -54.2 -37.2 74.1 6.2 28.9 139 141 A A H > S+ 0 0 69 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.871 103.0 55.3 -86.4 -35.7 74.8 4.0 31.9 140 142 A S H > S+ 0 0 36 -3,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.833 111.1 50.5 -60.2 -29.6 78.5 3.5 31.4 141 143 A I H X S+ 0 0 1 -4,-1.2 4,-3.8 2,-0.2 5,-0.2 0.943 107.6 49.7 -72.8 -51.3 78.7 7.3 31.4 142 144 A A H X S+ 0 0 31 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.930 116.3 45.4 -43.6 -47.3 76.6 7.7 34.7 143 145 A K H X S+ 0 0 125 -4,-2.4 4,-2.2 2,-0.2 5,-0.3 0.983 111.8 49.4 -70.3 -55.5 79.0 5.2 36.1 144 146 A A H X S+ 0 0 4 -4,-2.8 4,-1.3 1,-0.3 -1,-0.2 0.908 113.7 48.8 -43.5 -47.3 82.1 6.8 34.7 145 147 A C H >X S+ 0 0 4 -4,-3.8 4,-0.7 1,-0.2 3,-0.7 0.959 108.4 52.9 -64.5 -45.2 80.8 10.0 36.1 146 148 A E H 3< S+ 0 0 138 -4,-3.0 4,-0.5 1,-0.3 3,-0.5 0.849 112.0 43.4 -62.2 -34.1 80.1 8.6 39.5 147 149 A E H 3< S+ 0 0 125 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.691 112.8 52.3 -87.1 -18.4 83.5 7.1 40.1 148 150 A A H << S+ 0 0 8 -4,-1.3 -1,-0.2 -3,-0.7 -2,-0.2 0.545 86.9 86.5 -87.6 -8.0 85.3 10.1 38.8 149 151 A A >< + 0 0 22 -4,-0.7 3,-2.3 -3,-0.5 -2,-0.1 0.945 55.9 175.3 -71.7 -51.1 83.5 12.5 41.1 150 152 A E T 3 S- 0 0 157 -4,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.795 81.2 -44.3 61.5 30.7 85.8 12.1 44.0 151 153 A G T 3 S+ 0 0 81 1,-0.4 -1,-0.3 22,-0.0 -2,-0.1 -0.070 125.6 90.0 103.5 -31.7 84.0 14.7 46.0 152 154 A Q S < S- 0 0 53 -3,-2.3 2,-0.5 -4,-0.2 -1,-0.4 -0.000 82.7 -92.9 -81.4-164.4 83.6 17.2 43.2 153 155 A V + 0 0 37 -3,-0.1 17,-2.3 -5,-0.0 2,-0.3 -0.955 51.4 141.5-124.4 118.2 80.7 17.5 40.8 154 156 A V E +G 169 0B 12 -2,-0.5 15,-0.2 15,-0.2 -5,-0.1 -0.960 13.1 140.4-148.9 142.4 80.4 15.9 37.3 155 157 A S E -G 168 0B 39 13,-2.1 13,-2.0 -2,-0.3 2,-0.2 -0.989 54.5 -73.4-166.8 168.4 77.6 14.3 35.5 156 158 A P E +G 167 0B 18 0, 0.0 11,-0.3 0, 0.0 3,-0.1 -0.489 44.8 167.9 -67.9 134.2 75.9 13.9 32.1 157 159 A V E + 0 0 0 9,-4.5 96,-4.0 1,-0.3 2,-0.5 0.625 59.8 48.7-123.4 -29.3 74.0 17.1 31.2 158 160 A N E -Gh 166 253B 18 8,-1.9 8,-2.9 94,-0.2 2,-1.1 -0.942 52.0-171.7-124.6 108.9 73.1 16.7 27.6 159 161 A F E +Gh 165 254B 27 94,-2.2 97,-2.7 -2,-0.5 96,-0.7 -0.802 26.6 157.1 -91.3 88.4 71.4 13.6 26.3 160 162 A N E - 0 0 8 4,-1.4 -1,-0.2 -2,-1.1 5,-0.2 0.940 62.0 -35.4 -88.9 -56.3 71.7 14.7 22.6 161 163 A S E > S-G 164 0B 3 3,-2.0 3,-3.3 -3,-0.2 -1,-0.4 -0.963 79.6 -64.1-145.7-179.0 71.5 11.2 21.1 162 164 A P T 3 S+ 0 0 71 0, 0.0 -25,-0.1 0, 0.0 3,-0.0 -0.429 129.8 17.3 -55.4 123.0 72.5 7.7 21.6 163 165 A G T 3 S+ 0 0 28 -27,-0.6 -28,-1.0 -2,-0.2 2,-0.2 0.694 113.8 86.6 64.8 22.5 76.3 7.9 21.5 164 166 A Q E < +EG 134 161B 52 -3,-3.3 -3,-2.0 -30,-0.2 -4,-1.4 -0.729 49.4 151.3-139.7 113.2 76.2 11.6 22.1 165 167 A V E -EG 133 159B 1 -32,-1.7 -32,-3.1 -2,-0.2 2,-0.4 -0.995 30.3-146.9-129.1 130.8 76.1 12.7 25.7 166 168 A V E -EG 132 158B 9 -8,-2.9 -9,-4.5 -2,-0.4 -8,-1.9 -0.797 16.4-170.4 -94.1 139.8 77.5 15.9 27.2 167 169 A I E +EG 131 156B 0 -36,-2.4 -36,-1.9 -2,-0.4 2,-0.3 -0.844 8.6 169.1-123.0 166.7 78.9 15.9 30.8 168 170 A A E +EG 130 155B 0 -13,-2.0 -13,-2.1 -2,-0.3 2,-0.3 -0.989 18.7 103.2-171.1 164.8 79.9 18.8 33.1 169 171 A G E S+EG 129 154B 0 -40,-1.3 -40,-1.9 -2,-0.3 -15,-0.2 -0.984 77.4 8.4 145.3-151.8 80.9 20.0 36.5 170 172 A H E > S-E 128 0B 42 -17,-2.3 4,-2.3 -2,-0.3 -42,-0.3 -0.384 74.2-120.2 -64.1 134.5 84.3 20.9 38.1 171 173 A K H > S+ 0 0 85 -44,-2.8 4,-2.3 1,-0.2 -43,-0.1 0.885 110.2 50.9 -44.7 -49.3 86.9 21.0 35.4 172 174 A E H > S+ 0 0 79 -45,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.952 109.0 48.0 -55.5 -57.0 89.0 18.3 37.1 173 175 A A H > S+ 0 0 0 2,-0.3 4,-3.6 1,-0.2 -1,-0.2 0.881 108.1 56.0 -54.4 -40.2 86.2 15.7 37.5 174 176 A V H X S+ 0 0 10 -4,-2.3 4,-3.2 2,-0.2 5,-0.3 0.972 109.1 49.0 -54.7 -49.8 85.2 16.2 33.9 175 177 A E H X S+ 0 0 131 -4,-2.3 4,-2.1 -5,-0.3 5,-0.3 0.963 111.9 46.3 -49.0 -58.7 88.8 15.3 33.2 176 178 A R H X S+ 0 0 63 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.945 116.0 48.9 -52.0 -43.3 88.6 12.2 35.4 177 179 A A H X S+ 0 0 0 -4,-3.6 4,-3.2 2,-0.2 -1,-0.2 0.869 106.3 51.0 -73.5 -42.5 85.3 11.4 33.8 178 180 A G H X S+ 0 0 7 -4,-3.2 4,-2.6 2,-0.2 -1,-0.2 0.969 112.6 49.3 -55.9 -50.6 86.2 11.7 30.1 179 181 A A H >X S+ 0 0 64 -4,-2.1 4,-3.0 -5,-0.3 3,-0.5 0.976 109.1 52.2 -52.5 -55.4 89.1 9.5 30.8 180 182 A A H 3X S+ 0 0 25 -4,-2.8 4,-1.6 -5,-0.3 -1,-0.2 0.925 108.4 50.8 -47.6 -53.9 86.9 7.0 32.5 181 183 A C H 3<>S+ 0 0 0 -4,-3.2 5,-1.7 1,-0.3 4,-0.4 0.850 109.0 50.9 -57.2 -38.2 84.5 7.0 29.6 182 184 A K H X<5S+ 0 0 119 -4,-2.6 3,-1.8 -3,-0.5 -1,-0.3 0.955 107.5 54.2 -62.8 -46.7 87.4 6.3 27.2 183 185 A A H 3<5S+ 0 0 91 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.895 106.5 54.6 -44.4 -39.6 88.5 3.5 29.5 184 186 A A T 3<5S- 0 0 58 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.427 132.1 -81.0 -96.8 0.4 85.0 2.1 29.1 185 187 A G T < 5S+ 0 0 60 -3,-1.8 -3,-0.2 -4,-0.4 -2,-0.1 0.522 74.0 150.7 124.8 14.6 84.9 2.0 25.3 186 188 A A < - 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