==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-AUG-09 3IM8 . COMPND 2 MOLECULE: MALONYL ACYL CARRIER PROTEIN TRANSACYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR S.K.HONG,K.H.KIM,J.K.PARK,Y.M.KIM,E.E.KIM . 305 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12880.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 78.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 7.2 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 . 20 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 40.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 0 1 1 3 1 1 1 1 0 2 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 1 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 . 1 0 0 1 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 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 K 0 0 154 0, 0.0 265,-2.2 0, 0.0 264,-1.6 0.000 360.0 360.0 360.0 -55.7 26.2 28.0 71.4 2 4 A T E -a 266 0A 21 78,-0.2 80,-3.4 263,-0.2 81,-1.1 -0.916 360.0-167.6-119.0 134.0 23.6 26.6 68.8 3 5 A A E -ab 267 83A 0 263,-2.3 265,-2.7 -2,-0.4 2,-0.5 -0.961 13.8-145.1-111.5 135.9 22.1 28.0 65.5 4 6 A F E -ab 268 84A 0 79,-1.7 81,-1.4 -2,-0.4 2,-0.6 -0.857 13.3-159.3 -93.2 130.7 19.1 26.5 63.6 5 7 A L E -ab 269 85A 0 263,-2.5 265,-2.5 -2,-0.5 2,-0.5 -0.949 12.2-143.1-112.9 119.6 19.4 26.9 59.9 6 8 A F E -ab 270 86A 0 79,-2.8 81,-2.4 -2,-0.6 84,-0.2 -0.709 15.6-112.7 -97.2 130.0 16.1 26.7 58.0 7 9 A A - 0 0 2 263,-1.7 86,-0.2 -2,-0.5 2,-0.2 -0.050 28.6-145.7 -43.1 145.2 15.6 25.0 54.6 8 10 A G > - 0 0 5 1,-0.2 3,-1.6 81,-0.2 4,-0.2 -0.522 36.8 -60.4-107.4 178.2 14.6 26.9 51.4 9 11 A Q T 3 S+ 0 0 40 78,-0.3 -1,-0.2 1,-0.2 81,-0.1 -0.273 115.9 44.9 -57.1 143.8 12.5 26.3 48.3 10 12 A G T 3 S+ 0 0 45 -3,-0.1 -1,-0.2 182,-0.0 44,-0.0 0.050 91.2 84.3 106.2 -21.6 13.7 23.3 46.2 11 13 A A < + 0 0 16 -3,-1.6 -2,-0.1 261,-0.1 -4,-0.0 0.569 62.2 113.8 -92.0 -7.8 14.2 20.9 49.2 12 14 A Q - 0 0 26 -4,-0.2 2,-0.3 41,-0.1 47,-0.0 -0.134 41.0-179.6 -57.1 157.8 10.6 19.7 49.4 13 15 A Y > - 0 0 82 260,-0.0 3,-1.9 33,-0.0 2,-0.1 -0.980 39.5 -80.7-155.8 158.2 9.7 16.1 48.6 14 16 A L T 3 S+ 0 0 70 -2,-0.3 33,-0.2 1,-0.3 32,-0.1 -0.413 115.0 11.6 -64.9 133.9 6.5 14.1 48.6 15 17 A G T > S+ 0 0 23 31,-2.6 3,-2.1 1,-0.2 4,-0.3 0.470 83.6 167.3 84.6 2.3 5.5 13.0 52.1 16 18 A M T < + 0 0 1 -3,-1.9 -1,-0.2 30,-0.3 278,-0.1 -0.200 69.0 9.5 -54.9 136.2 8.0 15.2 54.0 17 19 A G T 3> S+ 0 0 4 276,-0.6 4,-2.4 1,-0.1 -1,-0.3 0.471 90.6 120.4 78.4 -2.4 7.3 15.4 57.7 18 20 A R H <> S+ 0 0 90 -3,-2.1 4,-2.0 2,-0.2 5,-0.2 0.903 72.0 52.8 -67.3 -41.9 4.6 12.6 57.5 19 21 A D H > S+ 0 0 59 -4,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.955 114.0 43.2 -51.3 -52.5 6.5 10.4 60.0 20 22 A F H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 8,-0.3 0.893 110.0 59.5 -60.1 -40.7 6.6 13.3 62.5 21 23 A Y H < S+ 0 0 21 -4,-2.4 7,-0.5 1,-0.2 -1,-0.2 0.869 109.9 38.9 -59.3 -46.1 3.0 14.2 61.8 22 24 A D H < S+ 0 0 101 -4,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.813 123.5 41.9 -71.1 -32.7 1.5 10.8 62.8 23 25 A Q H < S+ 0 0 110 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.2 0.766 111.5 49.3 -89.9 -33.4 3.8 10.4 65.8 24 26 A Y >X - 0 0 17 -4,-2.8 4,-1.7 -5,-0.2 3,-1.2 -0.929 59.3-157.7-119.3 109.9 4.0 13.9 67.4 25 27 A P H 3> S+ 0 0 106 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.806 96.2 62.6 -53.7 -31.4 0.9 16.0 68.2 26 28 A I H 3> S+ 0 0 53 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.880 107.9 45.6 -61.5 -32.9 2.9 19.2 68.2 27 29 A V H <> S+ 0 0 3 -3,-1.2 4,-2.6 -7,-0.3 5,-0.2 0.947 112.3 47.7 -71.7 -50.1 3.6 18.4 64.5 28 30 A K H X S+ 0 0 95 -4,-1.7 4,-2.8 -7,-0.5 5,-0.3 0.925 113.0 50.5 -57.4 -49.9 -0.0 17.4 63.5 29 31 A E H X S+ 0 0 89 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.937 109.8 50.0 -53.8 -50.6 -1.2 20.6 65.3 30 32 A T H X S+ 0 0 0 -4,-1.8 4,-1.4 -5,-0.2 -2,-0.2 0.928 115.1 42.3 -57.4 -46.5 1.3 22.8 63.4 31 33 A I H X S+ 0 0 2 -4,-2.6 4,-2.1 2,-0.2 11,-0.3 0.916 114.5 49.8 -68.3 -44.7 0.4 21.3 59.9 32 34 A D H X S+ 0 0 48 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.897 108.2 55.1 -64.8 -37.0 -3.4 21.4 60.5 33 35 A R H X S+ 0 0 97 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.885 109.0 46.9 -55.9 -39.6 -3.1 25.0 61.7 34 36 A A H X S+ 0 0 0 -4,-1.4 4,-2.4 -5,-0.2 -2,-0.2 0.899 108.4 56.2 -72.5 -35.5 -1.5 25.8 58.3 35 37 A S H X>S+ 0 0 16 -4,-2.1 4,-1.7 1,-0.2 5,-1.2 0.948 107.1 49.2 -60.8 -48.7 -4.2 23.9 56.5 36 38 A Q H <5S+ 0 0 146 -4,-2.6 3,-0.2 1,-0.2 -1,-0.2 0.911 111.2 48.4 -51.5 -50.1 -6.9 26.1 58.2 37 39 A V H <5S+ 0 0 50 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.921 114.5 47.2 -60.0 -41.8 -5.1 29.4 57.3 38 40 A L H <5S- 0 0 30 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.762 101.7-127.7 -72.2 -29.6 -4.7 28.2 53.7 39 41 A G T <5S+ 0 0 72 -4,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.718 80.9 74.0 83.2 19.9 -8.3 27.0 53.0 40 42 A Y S + 0 0 91 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 -0.623 38.2 180.0 -76.3 98.5 -5.6 20.3 53.1 42 44 A L H > S+ 0 0 0 -2,-1.2 4,-2.9 -11,-0.3 5,-0.2 0.786 80.0 58.1 -67.6 -30.5 -1.8 20.9 53.2 43 45 A R H > S+ 0 0 8 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.946 108.6 44.9 -66.5 -47.5 -1.0 17.5 54.6 44 46 A Y H >>S+ 0 0 122 2,-0.2 4,-2.0 1,-0.2 5,-0.6 0.922 112.8 52.7 -59.4 -44.3 -2.8 15.8 51.6 45 47 A L H X5S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 3,-0.4 0.967 111.9 45.1 -55.3 -51.0 -1.0 18.2 49.2 46 48 A I H <5S+ 0 0 0 -4,-2.9 -31,-2.6 1,-0.2 -30,-0.3 0.876 119.7 41.4 -61.8 -38.5 2.4 17.3 50.7 47 49 A D H <5S+ 0 0 34 -4,-2.2 -1,-0.2 -33,-0.2 -2,-0.2 0.655 133.0 10.4 -81.4 -22.1 1.6 13.6 50.6 48 50 A T H <5S+ 0 0 74 -4,-2.0 2,-0.9 -3,-0.4 -3,-0.2 0.588 104.7 75.7-139.0 -24.5 -0.2 13.1 47.3 49 51 A E X< + 0 0 49 -4,-1.9 4,-2.0 -5,-0.6 -1,-0.1 -0.776 47.3 170.0-103.7 88.8 0.0 16.1 44.9 50 52 A E H > S+ 0 0 102 -2,-0.9 4,-1.5 1,-0.2 -1,-0.2 0.917 74.7 48.8 -70.8 -38.2 3.5 16.1 43.6 51 53 A D H 4 S+ 0 0 127 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.908 113.6 46.0 -68.5 -40.1 3.1 18.7 40.9 52 54 A K H >4 S+ 0 0 72 1,-0.2 3,-1.7 2,-0.2 6,-0.4 0.897 107.1 58.8 -65.5 -39.8 1.4 21.2 43.2 53 55 A L H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.858 108.0 46.9 -56.6 -36.9 4.1 20.6 45.8 54 56 A N T 3< S+ 0 0 86 -4,-1.5 2,-0.7 -5,-0.1 -1,-0.3 0.354 90.6 100.5 -87.6 -0.7 6.7 21.7 43.2 55 57 A Q S X> S- 0 0 75 -3,-1.7 3,-3.5 -4,-0.2 4,-2.0 -0.843 78.4-130.3 -89.4 115.5 4.6 24.8 42.3 56 58 A T H 3> S+ 0 0 6 -2,-0.7 4,-2.2 1,-0.3 59,-0.2 0.660 103.3 57.5 -35.2 -47.2 6.0 27.9 44.1 57 59 A R H 34 S+ 0 0 97 57,-0.3 -1,-0.3 1,-0.2 58,-0.2 0.756 120.3 31.2 -64.4 -24.0 2.7 29.2 45.6 58 60 A Y H <> S+ 0 0 52 -3,-3.5 4,-2.1 -6,-0.4 -2,-0.2 0.723 113.0 61.9 -99.6 -33.7 2.3 25.8 47.4 59 61 A T H X S+ 0 0 1 -4,-2.0 4,-2.9 -7,-0.3 5,-0.3 0.907 100.1 55.5 -54.9 -44.5 5.9 25.0 47.9 60 62 A Q H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.964 113.9 35.7 -63.3 -52.4 6.5 28.0 50.1 61 63 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.855 115.9 58.3 -69.9 -26.3 3.8 27.4 52.7 62 64 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.962 112.5 37.8 -63.3 -51.6 4.4 23.6 52.5 63 65 A I H X S+ 0 0 0 -4,-2.9 4,-3.4 2,-0.2 5,-0.3 0.928 116.1 53.0 -65.8 -47.5 8.1 23.9 53.4 64 66 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.3 5,-0.2 0.929 112.1 44.4 -56.5 -44.6 7.4 26.7 56.0 65 67 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.912 116.3 47.7 -64.6 -42.6 4.8 24.7 57.8 66 68 A T H X S+ 0 0 2 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.949 114.7 44.9 -64.6 -49.8 6.9 21.5 57.7 67 69 A S H X S+ 0 0 0 -4,-3.4 4,-2.7 2,-0.2 -2,-0.2 0.912 112.1 50.4 -58.4 -52.3 10.0 23.4 58.9 68 70 A V H X S+ 0 0 0 -4,-2.9 4,-2.9 -5,-0.3 -1,-0.2 0.914 111.0 51.6 -52.9 -43.9 8.2 25.2 61.7 69 71 A A H X S+ 0 0 1 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.906 110.0 47.9 -59.2 -44.3 6.8 21.9 62.8 70 72 A I H X S+ 0 0 2 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.913 112.6 48.7 -64.1 -42.9 10.3 20.3 62.9 71 73 A Y H X S+ 0 0 19 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.955 110.9 50.9 -61.4 -45.4 11.7 23.2 64.9 72 74 A R H X S+ 0 0 66 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.861 109.5 51.1 -61.3 -36.9 8.7 23.0 67.3 73 75 A L H X S+ 0 0 1 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.949 107.8 51.4 -61.6 -50.8 9.4 19.3 67.7 74 76 A L H <>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 3,-0.3 0.899 107.2 55.6 -51.6 -42.5 13.1 20.0 68.4 75 77 A Q H ><5S+ 0 0 71 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.903 105.6 50.6 -57.2 -45.4 11.8 22.5 71.1 76 78 A E H 3<5S+ 0 0 109 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.787 107.0 54.0 -60.3 -35.7 9.8 19.7 72.8 77 79 A K T 3<5S- 0 0 68 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.366 129.2 -97.6 -81.0 4.5 12.9 17.4 72.8 78 80 A G T < 5S+ 0 0 62 -3,-1.3 2,-0.6 1,-0.2 -3,-0.2 0.630 80.7 131.4 91.5 15.1 14.8 20.3 74.7 79 81 A Y < + 0 0 32 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.1 -0.909 26.4 176.1 -98.3 121.2 16.7 22.1 71.8 80 82 A Q - 0 0 101 -2,-0.6 -78,-0.2 -5,-0.0 2,-0.1 -0.973 26.5-126.5-120.0 129.2 16.3 25.8 71.9 81 83 A P - 0 0 3 0, 0.0 -78,-0.2 0, 0.0 3,-0.1 -0.470 10.5-159.0 -78.8 152.5 18.3 27.9 69.3 82 84 A D S S+ 0 0 79 -80,-3.4 2,-0.3 1,-0.3 -79,-0.2 0.689 83.3 7.1 -93.1 -25.2 20.6 30.8 70.3 83 85 A M E S-b 3 0A 12 -81,-1.1 -79,-1.7 139,-0.2 -1,-0.3 -0.977 71.1-157.5-149.8 153.9 20.5 32.3 66.7 84 86 A V E +bc 4 224A 0 139,-2.1 141,-2.4 -2,-0.3 2,-0.3 -0.913 15.8 162.6-131.7 164.1 18.6 31.5 63.5 85 87 A A E -b 5 0A 2 -81,-1.4 -79,-2.8 -2,-0.3 2,-0.3 -0.918 13.2-165.0-164.8 163.3 18.8 32.0 59.7 86 88 A G E -b 6 0A 0 139,-0.4 2,-0.9 -2,-0.3 5,-0.2 -0.982 31.3-100.8-156.7 152.1 17.0 30.4 56.8 87 89 A L S > S- 0 0 22 -81,-2.4 3,-3.3 -2,-0.3 2,-0.7 -0.669 73.7 -65.6 -83.1 106.5 17.6 30.2 53.0 88 90 A S T > S+ 0 0 10 -2,-0.9 3,-1.4 1,-0.4 4,-0.4 -0.318 141.9 25.5 59.0 -96.1 15.2 32.6 51.3 89 91 A L T >> S+ 0 0 0 -2,-0.7 3,-1.9 1,-0.3 4,-1.0 0.884 118.9 65.9 -59.1 -37.5 11.9 31.2 52.1 90 92 A G H <> S+ 0 0 0 -3,-3.3 4,-1.9 1,-0.3 -1,-0.3 0.643 85.7 71.4 -60.2 -12.5 13.7 29.7 55.1 91 93 A E H <> S+ 0 0 0 -3,-1.4 4,-1.9 -5,-0.2 -1,-0.3 0.835 96.4 51.2 -70.6 -30.1 14.1 33.2 56.4 92 94 A Y H <> S+ 0 0 0 -3,-1.9 4,-2.1 -4,-0.4 -2,-0.2 0.887 107.4 50.7 -75.0 -40.4 10.4 33.3 57.2 93 95 A S H X S+ 0 0 0 -4,-1.0 4,-2.5 2,-0.2 -2,-0.2 0.906 112.3 48.8 -56.2 -45.5 10.5 30.0 59.1 94 96 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.822 106.3 56.4 -63.0 -39.1 13.5 31.6 61.0 95 97 A L H <>S+ 0 0 0 -4,-1.9 6,-1.9 2,-0.2 5,-0.8 0.903 109.9 46.2 -60.4 -41.2 11.3 34.7 61.6 96 98 A V H ><5S+ 0 0 14 -4,-2.1 3,-1.5 4,-0.2 -2,-0.2 0.945 114.3 46.6 -64.2 -49.1 8.7 32.4 63.2 97 99 A A H 3<5S+ 0 0 1 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.825 107.6 57.8 -62.6 -29.3 11.3 30.6 65.3 98 100 A S T 3<5S- 0 0 0 -4,-2.3 123,-3.6 -5,-0.1 124,-1.4 0.429 113.7-116.9 -87.5 2.7 12.9 33.9 66.4 99 101 A G T < 5S+ 0 0 28 -3,-1.5 -3,-0.2 2,-0.2 119,-0.1 0.178 90.8 103.2 89.4 -15.8 9.6 35.0 67.8 100 102 A A S - 0 0 79 -2,-0.5 4,-2.4 114,-0.3 5,-0.2 -0.393 22.6-127.8 -62.8 141.8 3.4 34.8 64.2 103 105 A F H > S+ 0 0 8 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.943 107.6 45.7 -61.6 -51.3 3.1 31.3 62.7 104 106 A E H > S+ 0 0 71 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.882 113.3 51.6 -59.9 -38.8 -0.4 31.7 61.2 105 107 A D H > S+ 0 0 70 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.903 108.9 52.2 -57.2 -44.2 0.6 35.1 59.8 106 108 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.930 105.9 53.3 -60.9 -49.1 3.7 33.5 58.2 107 109 A V H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.925 113.2 41.7 -56.5 -49.3 1.7 30.8 56.5 108 110 A A H X S+ 0 0 46 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.919 114.9 52.8 -64.9 -39.9 -0.7 33.3 54.8 109 111 A L H X S+ 0 0 4 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.842 108.7 47.0 -67.6 -38.7 2.2 35.7 54.0 110 112 A V H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.807 105.5 59.7 -75.8 -28.2 4.4 33.1 52.2 111 113 A A H X S+ 0 0 27 -4,-1.6 4,-1.7 -5,-0.3 -2,-0.2 0.902 112.4 41.1 -58.7 -39.3 1.4 31.8 50.2 112 114 A K H X S+ 0 0 107 -4,-1.6 4,-3.0 2,-0.2 -2,-0.2 0.943 113.3 52.1 -72.0 -47.9 1.2 35.4 48.8 113 115 A R H X S+ 0 0 1 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.879 110.4 49.8 -51.1 -48.8 5.0 35.7 48.5 114 116 A G H X S+ 0 0 0 -4,-3.0 4,-2.8 -57,-0.2 -57,-0.3 0.943 111.0 48.7 -57.1 -52.6 5.1 32.4 46.5 115 117 A A H X S+ 0 0 17 -4,-1.7 4,-2.5 -58,-0.2 5,-0.3 0.942 112.5 47.5 -49.3 -55.5 2.3 33.6 44.2 116 118 A Y H X S+ 0 0 32 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.846 114.2 46.8 -61.5 -39.2 4.0 37.0 43.6 117 119 A M H X S+ 0 0 2 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.900 112.6 49.7 -67.3 -45.2 7.4 35.3 42.9 118 120 A E H < S+ 0 0 43 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.901 114.7 43.1 -60.2 -47.8 5.9 32.7 40.5 119 121 A E H < S+ 0 0 114 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.895 117.6 45.2 -68.3 -40.1 3.9 35.3 38.4 120 122 A A H < S+ 0 0 38 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.831 132.9 16.1 -76.3 -29.7 6.7 37.7 38.2 121 123 A A S < S- 0 0 3 -4,-2.1 73,-0.6 -5,-0.2 -1,-0.3 -0.699 81.6-150.0-144.1 86.2 9.4 35.1 37.4 122 124 A P > - 0 0 69 0, 0.0 3,-1.8 0, 0.0 71,-0.1 -0.188 29.4-106.8 -65.1 159.8 8.0 31.7 36.2 123 125 A A T 3 S+ 0 0 55 1,-0.3 70,-0.1 71,-0.1 -5,-0.0 0.717 118.0 41.0 -59.2 -27.7 10.1 28.5 37.0 124 126 A D T 3 S+ 0 0 122 68,-0.1 -1,-0.3 67,-0.0 70,-0.0 0.508 95.8 99.5 -98.2 -5.0 11.3 28.0 33.4 125 127 A S S < S+ 0 0 46 -3,-1.8 68,-0.1 2,-0.0 -4,-0.0 -0.223 78.6 0.3 -79.9 169.8 12.0 31.7 32.6 126 128 A G S S- 0 0 19 68,-0.1 2,-0.3 69,-0.1 42,-0.2 0.110 86.3 -85.9 44.6-157.6 15.5 33.4 32.7 127 129 A K E -E 167 0B 65 40,-2.7 40,-1.7 2,-0.0 2,-0.3 -0.975 26.9-166.0-148.3 158.1 18.7 31.5 33.6 128 130 A M E -E 166 0B 12 62,-0.4 62,-2.6 -2,-0.3 2,-0.4 -0.982 8.3-175.4-145.9 127.2 20.8 30.4 36.7 129 131 A V E -EF 165 189B 1 36,-2.3 36,-2.3 -2,-0.3 2,-0.6 -0.997 21.1-138.5-128.9 132.6 24.3 29.1 36.6 130 132 A A E -EF 164 188B 5 58,-2.8 58,-3.1 -2,-0.4 2,-0.8 -0.840 17.5-155.2 -84.2 121.4 26.3 27.8 39.6 131 133 A V E -EF 163 187B 1 32,-3.0 32,-2.0 -2,-0.6 3,-0.4 -0.864 14.3-162.3 -99.7 104.5 29.9 29.1 39.3 132 134 A L E -EF 162 186B 21 54,-2.5 54,-0.6 -2,-0.8 53,-0.3 -0.621 58.3 -0.7 -92.0 142.7 32.1 26.7 41.2 133 135 A N S S+ 0 0 98 28,-2.1 52,-0.3 -2,-0.3 -1,-0.2 0.853 90.4 119.6 46.7 58.8 35.7 27.5 42.4 134 136 A T S S- 0 0 14 -3,-0.4 -1,-0.1 26,-0.2 5,-0.1 -0.993 70.4 -95.0-142.7 143.5 36.2 31.1 41.1 135 137 A P > - 0 0 78 0, 0.0 4,-1.3 0, 0.0 3,-0.5 -0.236 31.0-124.4 -57.9 142.4 37.0 34.2 43.2 136 138 A V H > S+ 0 0 27 1,-0.2 4,-2.5 2,-0.2 3,-0.3 0.877 109.4 59.7 -53.0 -39.7 33.9 36.3 44.1 137 139 A E H > S+ 0 0 121 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.896 103.7 50.9 -57.0 -46.8 35.5 39.4 42.5 138 140 A V H > S+ 0 0 42 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.851 111.1 47.2 -58.5 -40.6 35.8 37.7 39.1 139 141 A I H X S+ 0 0 0 -4,-1.3 4,-2.6 -3,-0.3 -2,-0.2 0.908 113.0 47.9 -73.3 -45.0 32.1 36.6 39.2 140 142 A E H X S+ 0 0 55 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.927 114.8 46.5 -59.5 -49.7 30.9 40.1 40.2 141 143 A E H X S+ 0 0 119 -4,-2.9 4,-2.8 2,-0.2 5,-0.3 0.936 111.2 51.3 -58.1 -49.4 33.0 41.7 37.5 142 144 A A H X S+ 0 0 6 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.948 112.2 46.8 -54.9 -46.3 32.0 39.3 34.8 143 145 A C H X S+ 0 0 3 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.834 110.3 54.4 -65.9 -35.0 28.3 39.9 35.7 144 146 A Q H >< S+ 0 0 145 -4,-2.1 3,-1.0 2,-0.2 4,-0.3 0.974 108.9 45.4 -62.0 -54.0 28.9 43.7 35.7 145 147 A K H >< S+ 0 0 114 -4,-2.8 3,-1.0 1,-0.2 4,-0.2 0.909 114.5 50.8 -52.5 -43.8 30.4 43.7 32.1 146 148 A A H >< S+ 0 0 0 -4,-2.3 3,-1.8 -5,-0.3 -1,-0.2 0.685 88.9 83.3 -70.1 -19.1 27.5 41.5 31.0 147 149 A S G X< S+ 0 0 49 -3,-1.0 3,-1.3 -4,-1.0 -1,-0.2 0.598 74.4 71.8 -65.5 -16.9 24.8 43.8 32.5 148 150 A E G < S+ 0 0 176 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.1 0.831 96.7 52.7 -61.3 -33.5 24.8 46.0 29.5 149 151 A L G < S- 0 0 76 -3,-1.8 -1,-0.2 1,-0.3 22,-0.2 0.397 129.7 -73.0 -82.9 -0.4 23.1 43.2 27.8 150 152 A G S < S- 0 0 22 -3,-1.3 2,-0.3 21,-0.1 -1,-0.3 -0.709 80.8 -17.3 132.4 177.8 20.3 42.9 30.5 151 153 A V + 0 0 35 -2,-0.2 17,-2.5 -3,-0.1 2,-0.2 -0.365 64.7 144.7 -57.0 113.5 19.8 41.7 34.2 152 154 A V E +G 167 0B 0 -2,-0.3 15,-0.2 15,-0.2 -5,-0.1 -0.827 13.8 141.7-147.1 113.3 22.6 39.3 35.4 153 155 A T E -G 166 0B 44 13,-2.5 13,-3.2 -2,-0.2 2,-0.2 -0.961 58.8 -82.8-139.3 163.3 23.9 39.3 39.0 154 156 A P E -G 165 0B 8 0, 0.0 11,-0.3 0, 0.0 3,-0.1 -0.556 43.6-179.9 -61.2 133.3 25.1 36.9 41.7 155 157 A A E + 0 0 0 9,-3.6 95,-2.8 1,-0.3 2,-0.5 0.743 64.2 30.9-101.9 -42.3 21.9 35.5 43.3 156 158 A N E -Gh 164 250B 21 8,-2.0 8,-2.3 93,-0.2 2,-1.2 -0.934 54.7-165.7-131.2 111.0 23.2 33.1 45.9 157 159 A Y E +Gh 163 251B 5 93,-3.1 96,-1.5 -2,-0.5 95,-1.4 -0.745 29.4 157.5 -87.5 88.4 26.4 33.4 47.8 158 160 A N E - 0 0 9 4,-1.4 -1,-0.2 -2,-1.2 5,-0.2 0.954 63.0 -12.1 -80.2 -56.8 26.5 29.8 49.1 159 161 A T E > S-G 162 0B 8 3,-1.6 3,-1.8 -3,-0.2 -1,-0.3 -0.886 75.0 -98.3-134.5 166.4 30.2 29.2 49.8 160 162 A P T 3 S+ 0 0 77 0, 0.0 -26,-0.2 0, 0.0 -24,-0.2 0.764 130.3 39.2 -58.7 -18.2 33.4 31.1 48.9 161 163 A A T 3 S+ 0 0 34 1,-0.2 -28,-2.1 -28,-0.1 2,-0.2 0.017 111.4 62.5-116.6 25.3 33.7 28.5 46.1 162 164 A Q E < +EG 132 159B 46 -3,-1.8 -3,-1.6 -30,-0.2 -4,-1.4 -0.698 56.5 156.9-154.5 95.1 30.0 28.3 45.1 163 165 A I E -EG 131 157B 0 -32,-2.0 -32,-3.0 -2,-0.2 2,-0.6 -0.983 26.7-149.0-128.7 124.4 28.1 31.3 43.8 164 166 A V E -EG 130 156B 6 -8,-2.3 -9,-3.6 -2,-0.4 -8,-2.0 -0.820 9.9-160.3 -93.2 126.7 25.0 31.2 41.7 165 167 A I E -EG 129 154B 0 -36,-2.3 -36,-2.3 -2,-0.6 2,-0.3 -0.781 16.7-180.0 -96.2 148.2 24.5 34.0 39.1 166 168 A A E +EG 128 153B 0 -13,-3.2 -13,-2.5 -2,-0.3 2,-0.3 -0.927 21.0 86.6-141.6 167.9 21.0 34.6 37.8 167 169 A G E S-EG 127 152B 0 -40,-1.7 -40,-2.7 -2,-0.3 -15,-0.2 -0.989 71.1 -1.0 147.4-144.5 18.9 36.8 35.4 168 170 A E > - 0 0 82 -17,-2.5 4,-3.1 -2,-0.3 5,-0.3 -0.398 64.9-114.7 -82.7 154.0 17.9 37.0 31.7 169 171 A V H > S+ 0 0 73 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.925 110.1 40.2 -55.7 -57.6 19.0 34.4 29.2 170 172 A V H > S+ 0 0 97 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.900 118.0 49.2 -63.6 -41.9 21.2 36.5 26.8 171 173 A A H > S+ 0 0 0 -22,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.906 112.5 46.8 -63.3 -42.6 22.7 38.4 29.7 172 174 A V H X S+ 0 0 0 -4,-3.1 4,-2.1 -21,-0.2 -2,-0.2 0.887 109.8 53.6 -69.2 -38.2 23.6 35.3 31.7 173 175 A D H X S+ 0 0 67 -4,-2.4 4,-1.7 -5,-0.3 -1,-0.2 0.868 108.9 50.2 -57.5 -40.4 25.1 33.6 28.6 174 176 A R H X S+ 0 0 73 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.945 108.2 54.2 -67.6 -45.6 27.3 36.7 28.1 175 177 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.877 109.0 45.7 -49.9 -49.2 28.3 36.4 31.8 176 178 A V H X S+ 0 0 19 -4,-2.1 4,-3.4 2,-0.2 5,-0.2 0.873 109.7 55.5 -68.7 -33.3 29.5 32.7 31.6 177 179 A E H X S+ 0 0 90 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.947 110.2 45.9 -60.5 -45.8 31.4 33.5 28.3 178 180 A L H X S+ 0 0 11 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.921 113.2 50.8 -65.3 -38.4 33.2 36.1 30.3 179 181 A L H X>S+ 0 0 0 -4,-2.2 5,-2.9 2,-0.2 4,-0.6 0.914 109.2 49.0 -63.0 -47.4 33.7 33.6 33.1 180 182 A Q H ><5S+ 0 0 116 -4,-3.4 3,-1.4 3,-0.2 -2,-0.2 0.957 112.0 49.8 -56.6 -50.2 35.1 30.8 30.8 181 183 A E H 3<5S+ 0 0 151 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.966 107.7 53.0 -50.5 -57.3 37.5 33.4 29.3 182 184 A A H 3<5S- 0 0 70 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.643 131.5-100.3 -53.4 -16.1 38.6 34.4 32.8 183 185 A G T <<5 + 0 0 48 -3,-1.4 -3,-0.2 -4,-0.6 2,-0.2 0.546 61.3 164.3 107.8 8.4 39.2 30.7 33.3 184 186 A A < - 0 0 15 -5,-2.9 -1,-0.3 1,-0.2 3,-0.1 -0.408 14.3-172.2 -57.2 127.1 36.2 29.4 35.2 185 187 A K + 0 0 198 -53,-0.3 2,-0.5 -52,-0.3 -1,-0.2 0.753 66.5 45.8 -95.1 -32.1 36.3 25.6 34.9 186 188 A R E +F 132 0B 134 -54,-0.6 -54,-2.5 -53,-0.1 2,-0.5 -0.923 56.3 159.8-131.8 104.3 33.0 24.6 36.4 187 189 A L E -F 131 0B 36 -2,-0.5 -56,-0.2 -56,-0.2 -58,-0.0 -0.990 19.2-164.4-126.9 113.5 29.8 26.3 35.4 188 190 A I E -F 130 0B 81 -58,-3.1 -58,-2.8 -2,-0.5 -2,-0.0 -0.876 12.3-141.5-110.7 106.6 26.6 24.4 36.1 189 191 A P E -F 129 0B 82 0, 0.0 2,-0.4 0, 0.0 -60,-0.2 -0.346 22.4-150.6 -56.5 142.5 23.3 25.4 34.5 190 192 A L - 0 0 51 -62,-2.6 -62,-0.4 3,-0.1 2,-0.3 -0.954 21.7-166.3-121.7 137.1 20.4 25.0 36.9 191 193 A K + 0 0 163 -2,-0.4 3,-0.1 1,-0.1 -67,-0.0 -0.550 56.7 109.3-115.3 68.6 16.7 24.3 36.2 192 194 A V S S- 0 0 91 1,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.767 78.7 -31.5-114.6 -39.5 15.3 25.1 39.7 193 195 A S S S- 0 0 17 -3,-0.2 -1,-0.4 -70,-0.1 -70,-0.1 -0.963 75.8 -59.0-169.2 174.0 13.2 28.4 39.6 194 196 A G S S- 0 0 0 -73,-0.6 2,-2.7 -2,-0.3 -71,-0.1 -0.126 77.1 -77.1 -57.5 170.0 12.8 31.7 38.0 195 197 A P + 0 0 6 0, 0.0 3,-0.4 0, 0.0 5,-0.2 -0.376 69.5 179.4 -76.5 69.7 15.8 34.1 38.3 196 198 A F + 0 0 11 -2,-2.7 51,-0.2 1,-0.2 3,-0.1 -0.261 56.3 38.6 -65.9 153.3 14.9 35.0 42.0 197 199 A H S S+ 0 0 8 49,-2.4 50,-0.3 1,-0.3 2,-0.3 0.781 97.5 96.1 70.8 33.1 17.2 37.4 44.0 198 200 A T S > S- 0 0 1 48,-0.6 3,-2.4 -3,-0.4 -1,-0.3 -0.881 94.4 -93.9-135.5 165.3 17.8 39.8 41.0 199 201 A S G > S+ 0 0 70 1,-0.3 3,-2.7 -2,-0.3 49,-0.1 0.707 113.4 81.9 -54.4 -21.0 16.0 43.1 39.9 200 202 A L G 3 S+ 0 0 48 1,-0.3 -1,-0.3 -5,-0.2 4,-0.3 0.812 88.4 57.0 -54.7 -23.9 13.8 41.0 37.6 201 203 A L G <> S+ 0 0 0 -3,-2.4 4,-2.6 -6,-0.2 -1,-0.3 0.394 72.1 105.7 -91.5 5.7 11.8 40.4 40.9 202 204 A E H <> S+ 0 0 77 -3,-2.7 4,-1.5 1,-0.3 -1,-0.2 0.904 79.8 52.1 -52.0 -47.0 11.3 44.1 41.5 203 205 A P H > S+ 0 0 80 0, 0.0 4,-1.4 0, 0.0 3,-0.3 0.913 110.1 49.3 -54.3 -43.1 7.6 43.8 40.5 204 206 A A H >> S+ 0 0 3 -4,-0.3 4,-2.2 -3,-0.2 3,-0.5 0.962 107.4 54.8 -57.1 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299 301 A V H X S+ 0 0 65 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.931 108.4 56.5 -62.4 -46.7 17.3 9.9 66.5 300 302 A A H < S+ 0 0 53 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.832 115.2 40.1 -54.3 -33.9 20.9 10.6 65.2 301 303 A L H >< S+ 0 0 5 -4,-1.3 3,-1.8 -3,-0.3 -2,-0.2 0.948 115.3 49.2 -77.7 -53.3 20.6 14.1 66.8 302 304 A L H >< S+ 0 0 36 -4,-3.2 3,-2.5 1,-0.3 -2,-0.2 0.813 97.9 68.1 -59.7 -32.9 18.9 13.0 70.0 303 305 A E T 3< S+ 0 0 153 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.1 0.612 97.2 55.3 -67.5 -9.8 21.4 10.1 70.7 304 306 A K T < 0 0 133 -3,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.464 360.0 360.0 -91.1 -7.0 24.0 12.8 71.4 305 307 A L < 0 0 155 -3,-2.5 -3,-0.0 -4,-0.2 -4,-0.0 -0.479 360.0 360.0 -77.4 360.0 21.7 14.4 74.0