==== 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 08-JAN-03 1NM2 . COMPND 2 MOLECULE: MALONYL COA:ACYL CARRIER PROTEIN MALONYLTRANSFERA . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR; . AUTHOR A.T.KEATINGE-CLAY,A.A.SHELAT,D.F.SAVAGE,S.TSAI,L.J.W.MIERCKE . 305 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12856.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 234 76.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 7.9 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 . 19 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 38.4 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 2 0 1 0 1 2 2 3 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 . 1 0 0 0 2 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 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 0 A H 0 0 169 0, 0.0 2,-0.3 0, 0.0 260,-0.1 0.000 360.0 360.0 360.0 146.6 70.1 14.6 43.4 2 1 A M - 0 0 29 258,-0.2 260,-3.2 304,-0.1 261,-1.7 -0.912 360.0-163.8-148.8 113.9 67.1 16.8 44.0 3 2 A L E -a 263 0A 2 302,-0.4 80,-2.0 -2,-0.3 81,-1.4 -0.862 4.1-160.2-102.5 133.3 65.0 18.3 41.2 4 3 A V E -ab 264 84A 0 259,-2.5 261,-1.9 -2,-0.4 2,-0.6 -0.955 3.9-155.3-116.0 122.9 62.6 21.1 41.8 5 4 A L E -ab 265 85A 6 79,-2.5 81,-1.7 -2,-0.5 2,-0.3 -0.865 20.0-177.7 -98.5 118.7 59.7 21.8 39.4 6 5 A V E -ab 266 86A 1 259,-2.4 261,-2.5 -2,-0.6 81,-0.3 -0.869 16.5-151.1-120.4 153.6 58.5 25.4 39.5 7 6 A A E - b 0 87A 0 79,-1.5 81,-2.3 -2,-0.3 84,-0.2 -0.966 19.9-126.4-122.4 137.9 55.8 27.3 37.7 8 7 A P - 0 0 5 0, 0.0 2,-0.2 0, 0.0 86,-0.2 -0.068 17.0-139.9 -75.4 176.3 55.8 31.1 36.8 9 8 A G > - 0 0 6 1,-0.2 3,-1.7 81,-0.2 4,-0.2 -0.531 47.1 -34.4-123.4-169.4 53.3 33.9 37.6 10 9 A Q T 3 S+ 0 0 53 1,-0.2 -1,-0.2 -2,-0.2 45,-0.1 -0.151 119.7 39.8 -52.7 140.5 51.8 36.9 35.9 11 10 A G T 3 S+ 0 0 62 -3,-0.1 -1,-0.2 2,-0.0 44,-0.0 -0.009 92.4 88.8 107.4 -26.8 54.1 38.8 33.5 12 11 A A < + 0 0 16 -3,-1.7 -2,-0.1 2,-0.0 2,-0.1 0.797 68.4 89.9 -72.7 -30.2 55.6 35.6 32.1 13 12 A Q - 0 0 21 -4,-0.2 -2,-0.0 41,-0.1 47,-0.0 -0.396 53.6-179.8 -72.6 144.8 53.0 35.2 29.4 14 13 A T > - 0 0 78 -2,-0.1 3,-2.0 32,-0.1 4,-0.2 -0.955 41.7 -71.3-139.4 157.3 53.5 36.8 26.0 15 14 A P T 3 S+ 0 0 70 0, 0.0 35,-0.1 0, 0.0 31,-0.1 -0.223 115.6 0.6 -52.6 129.8 51.4 36.8 22.8 16 15 A G T > S+ 0 0 21 33,-0.5 3,-1.2 29,-0.3 4,-0.4 0.527 85.3 135.4 70.0 9.7 51.3 33.5 21.0 17 16 A F T < + 0 0 25 -3,-2.0 4,-0.3 1,-0.2 3,-0.2 0.747 69.9 51.7 -62.1 -24.8 53.4 31.7 23.5 18 17 A L T 3> S+ 0 0 0 28,-1.9 4,-2.1 -4,-0.2 3,-0.5 0.612 82.0 97.9 -88.1 -12.2 51.1 28.6 23.7 19 18 A T H <> S+ 0 0 63 -3,-1.2 4,-0.8 27,-0.8 3,-0.3 0.867 84.6 42.3 -41.2 -60.7 51.1 28.1 19.9 20 19 A D H >4 S+ 0 0 82 -4,-0.4 3,-0.5 1,-0.2 4,-0.4 0.839 113.0 55.1 -61.7 -33.0 53.7 25.4 19.6 21 20 A W H >4 S+ 0 0 2 -3,-0.5 3,-1.2 -4,-0.3 -1,-0.2 0.861 102.0 56.0 -69.4 -34.8 52.4 23.6 22.6 22 21 A L H 3< S+ 0 0 22 -4,-2.1 6,-0.7 -3,-0.3 -1,-0.2 0.691 96.6 67.8 -69.2 -18.2 48.9 23.3 21.2 23 22 A A T << S+ 0 0 80 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.662 74.8 104.0 -75.8 -17.2 50.4 21.6 18.2 24 23 A L S X> S- 0 0 52 -3,-1.2 3,-2.4 -4,-0.4 4,-0.6 -0.452 92.3 -92.9 -66.8 134.0 51.3 18.5 20.2 25 24 A P T 34 S+ 0 0 131 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.249 112.0 11.2 -51.3 122.7 48.9 15.7 19.5 26 25 A G T 3> S+ 0 0 36 -4,-0.1 4,-2.2 -3,-0.1 5,-0.2 0.081 100.1 102.3 96.7 -22.3 46.1 15.8 22.1 27 26 A A H <> S+ 0 0 6 -3,-2.4 4,-2.6 1,-0.2 5,-0.2 0.908 79.4 49.6 -61.7 -47.9 47.0 19.3 23.4 28 27 A A H X S+ 0 0 54 -6,-0.7 4,-2.2 -4,-0.6 -1,-0.2 0.908 111.4 52.7 -58.6 -40.3 44.3 21.2 21.6 29 28 A D H > S+ 0 0 123 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.931 110.6 44.8 -61.6 -48.1 41.7 18.7 22.8 30 29 A R H X S+ 0 0 99 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.945 114.1 48.8 -63.0 -47.5 42.7 19.0 26.5 31 30 A V H X S+ 0 0 1 -4,-2.6 4,-2.9 1,-0.2 11,-0.3 0.875 109.1 54.2 -60.6 -37.8 42.8 22.8 26.4 32 31 A A H X S+ 0 0 47 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.903 107.6 49.5 -63.0 -42.7 39.4 22.9 24.7 33 32 A A H X S+ 0 0 57 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.895 112.2 48.6 -64.1 -39.2 37.9 20.8 27.5 34 33 A W H X S+ 0 0 6 -4,-2.1 4,-2.0 2,-0.2 5,-0.2 0.940 108.8 53.7 -64.5 -46.2 39.4 23.2 30.0 35 34 A S H X>S+ 0 0 11 -4,-2.9 5,-1.7 1,-0.2 4,-1.1 0.910 108.9 48.5 -54.2 -46.0 38.1 26.2 28.1 36 35 A D H <5S+ 0 0 136 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.862 110.1 53.5 -63.9 -34.8 34.6 24.7 28.2 37 36 A A H <5S+ 0 0 67 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.844 120.0 29.6 -70.2 -34.2 34.9 24.0 31.9 38 37 A I H <5S- 0 0 20 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.361 105.9-117.5-108.3 4.6 35.9 27.6 32.9 39 38 A G T <5S+ 0 0 61 -4,-1.1 2,-0.3 -5,-0.2 -3,-0.2 0.896 76.6 111.5 62.2 44.1 34.1 29.5 30.2 40 39 A L S + 0 0 93 -2,-0.3 4,-1.9 1,-0.2 3,-0.3 -0.513 33.3 174.5 -77.3 81.2 38.8 30.3 25.2 42 41 A L H > S+ 0 0 0 -2,-2.0 4,-1.7 -11,-0.3 -1,-0.2 0.857 74.8 57.6 -56.0 -40.2 42.3 29.4 26.4 43 42 A A H > S+ 0 0 33 1,-0.2 4,-1.0 2,-0.2 5,-0.4 0.912 107.0 48.6 -59.4 -43.6 43.5 28.5 22.9 44 43 A H H >>>S+ 0 0 60 -3,-0.3 5,-2.5 1,-0.2 4,-1.5 0.945 112.3 46.5 -62.6 -49.4 42.6 31.9 21.6 45 44 A F H 3<5S+ 0 0 32 -4,-1.9 -29,-0.3 1,-0.2 -1,-0.2 0.766 115.0 48.0 -67.1 -23.4 44.4 33.8 24.3 46 45 A G H 3<5S+ 0 0 0 -4,-1.7 -28,-1.9 -5,-0.2 -27,-0.8 0.583 128.0 20.4 -92.2 -10.0 47.4 31.6 24.1 47 46 A T H <<5S+ 0 0 40 -4,-1.0 -3,-0.2 -3,-0.8 -2,-0.2 0.745 133.1 18.2-121.9 -54.6 47.7 31.9 20.3 48 47 A K T <5S+ 0 0 166 -4,-1.5 -3,-0.2 -5,-0.4 -4,-0.1 0.782 91.9 103.1 -95.3 -31.7 46.0 34.8 18.6 49 48 A A < - 0 0 1 -5,-2.5 -33,-0.5 1,-0.1 2,-0.0 -0.226 61.2-141.9 -56.4 138.8 45.4 37.3 21.4 50 49 A D > - 0 0 74 -35,-0.1 4,-1.7 -34,-0.1 3,-0.3 -0.150 36.7 -73.6 -90.0-169.7 47.7 40.3 21.5 51 50 A A H > S+ 0 0 64 1,-0.2 4,-0.7 2,-0.2 5,-0.1 0.884 126.2 50.2 -54.5 -49.1 49.3 42.1 24.5 52 51 A D H 4 S+ 0 0 116 1,-0.2 4,-0.4 2,-0.2 3,-0.4 0.858 109.8 51.6 -64.0 -33.3 46.3 43.9 25.8 53 52 A E H >4 S+ 0 0 56 -3,-0.3 3,-0.6 1,-0.2 -1,-0.2 0.879 112.6 43.0 -71.5 -38.6 44.1 40.8 25.8 54 53 A I H 3< S+ 0 0 5 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.463 100.7 69.2 -88.5 0.6 46.5 38.6 27.8 55 54 A R T 3< S+ 0 0 127 -4,-0.7 2,-0.4 -3,-0.4 -1,-0.2 0.641 72.4 111.8 -85.7 -17.0 47.3 41.4 30.2 56 55 A D X> - 0 0 70 -3,-0.6 4,-3.4 -4,-0.4 3,-1.5 -0.411 67.6-147.5 -56.9 111.1 43.8 40.9 31.4 57 56 A T H 3> S+ 0 0 8 -2,-0.4 4,-1.5 1,-0.3 -1,-0.2 0.813 97.0 56.7 -56.6 -30.7 44.4 39.5 34.9 58 57 A S H 34 S+ 0 0 14 2,-0.2 -1,-0.3 1,-0.2 58,-0.2 0.749 117.1 36.5 -73.1 -20.6 41.2 37.4 34.7 59 58 A V H <> S+ 0 0 3 -3,-1.5 4,-2.1 -6,-0.2 -2,-0.2 0.860 111.8 57.3 -94.1 -47.6 42.7 35.8 31.5 60 59 A A H X S+ 0 0 0 -4,-3.4 4,-2.5 1,-0.2 5,-0.2 0.870 102.0 55.2 -54.4 -44.4 46.4 35.7 32.4 61 60 A Q H X S+ 0 0 0 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.2 0.965 112.7 37.8 -59.8 -56.5 45.9 33.6 35.5 62 61 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.875 115.7 55.5 -64.4 -33.5 44.1 30.6 34.0 63 62 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.920 107.8 48.6 -62.2 -44.2 46.1 30.8 30.8 64 63 A L H X S+ 0 0 4 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.898 111.8 49.2 -63.1 -41.3 49.4 30.5 32.8 65 64 A V H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.919 110.6 49.3 -66.0 -43.8 48.1 27.5 34.8 66 65 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.885 110.9 51.4 -62.4 -38.6 46.9 25.7 31.7 67 66 A A H X S+ 0 0 1 -4,-2.0 4,-2.7 -5,-0.2 201,-0.4 0.913 111.7 46.5 -64.4 -43.3 50.3 26.3 30.1 68 67 A G H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.911 114.8 45.1 -65.8 -44.9 52.1 24.9 33.1 69 68 A I H X S+ 0 0 10 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.918 115.6 49.1 -65.0 -42.6 50.0 21.8 33.5 70 69 A L H X S+ 0 0 8 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.917 113.0 44.2 -64.3 -47.0 50.2 21.2 29.7 71 70 A S H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.894 114.0 50.6 -67.9 -37.9 54.0 21.6 29.4 72 71 A A H X S+ 0 0 14 -4,-2.1 4,-1.4 -5,-0.2 -2,-0.2 0.930 109.4 51.2 -63.6 -44.6 54.5 19.4 32.5 73 72 A A H < S+ 0 0 36 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.917 110.8 48.7 -58.3 -43.6 52.2 16.8 31.1 74 73 A A H >< S+ 0 0 16 -4,-2.1 3,-1.0 1,-0.2 -1,-0.2 0.876 107.6 54.9 -63.7 -38.7 54.2 16.8 27.9 75 74 A L H 3< S+ 0 0 8 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.759 103.3 58.4 -66.5 -24.9 57.5 16.6 29.8 76 75 A G T 3< 0 0 29 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.1 -0.144 360.0 360.0 -98.8 39.2 56.2 13.4 31.5 77 76 A T < 0 0 136 -3,-1.0 -3,-0.0 2,-0.1 -4,-0.0 -0.946 360.0 360.0-132.4 360.0 55.6 11.5 28.3 78 ! 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 79 87 A G 0 0 104 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0-174.6 56.9 9.6 33.6 80 88 A F - 0 0 48 -4,-0.1 223,-0.0 2,-0.0 -4,-0.0 -0.982 360.0-140.5-166.1 158.3 58.7 11.2 36.6 81 89 A T - 0 0 91 -2,-0.3 -78,-0.1 225,-0.1 17,-0.0 -0.982 23.6-138.8-129.3 118.4 58.3 12.6 40.1 82 90 A P - 0 0 14 0, 0.0 137,-0.2 0, 0.0 -78,-0.2 -0.269 18.7-121.4 -72.0 163.0 60.2 15.7 41.1 83 91 A G S S- 0 0 32 -80,-2.0 136,-0.7 1,-0.3 2,-0.3 0.817 89.9 -11.8 -72.8 -31.0 61.8 16.1 44.6 84 92 A A E -bc 4 219A 0 -81,-1.4 -79,-2.5 134,-0.1 2,-0.3 -0.982 62.3-145.7-163.2 160.7 59.7 19.2 45.3 85 93 A V E +bc 5 220A 0 134,-2.6 136,-2.5 -2,-0.3 2,-0.3 -0.942 22.0 151.5-134.4 155.9 57.4 21.7 43.6 86 94 A A E -b 6 0A 0 -81,-1.7 -79,-1.5 -2,-0.3 2,-0.3 -0.969 15.6-162.2-169.4 168.5 56.6 25.4 44.0 87 95 A G E -b 7 0A 0 134,-0.4 2,-0.8 -2,-0.3 5,-0.2 -0.989 30.0 -99.6-159.2 162.8 55.4 28.4 42.0 88 96 A H S > S- 0 0 21 -81,-2.3 3,-2.2 -2,-0.3 2,-0.7 -0.796 77.3 -61.7 -94.9 108.7 55.3 32.2 42.0 89 97 A S T > S+ 0 0 12 -2,-0.8 3,-1.8 1,-0.3 4,-0.4 -0.393 141.1 23.5 58.1 -99.9 51.8 33.5 43.1 90 98 A V T >> S+ 0 0 1 -2,-0.7 3,-1.6 1,-0.3 4,-1.2 0.836 116.9 69.2 -62.5 -29.4 49.5 32.0 40.4 91 99 A G H <> S+ 0 0 0 -3,-2.2 4,-2.2 1,-0.3 -1,-0.3 0.681 84.8 70.7 -62.0 -16.6 52.2 29.4 39.9 92 100 A E H <> S+ 0 0 2 -3,-1.8 4,-1.1 2,-0.2 -1,-0.3 0.814 96.5 49.5 -69.6 -32.1 51.4 28.0 43.3 93 101 A I H <> S+ 0 0 2 -3,-1.6 4,-1.1 -4,-0.4 3,-0.2 0.906 110.0 51.7 -71.9 -40.1 48.1 26.7 42.0 94 102 A T H >X S+ 0 0 1 -4,-1.2 4,-1.6 1,-0.2 3,-0.6 0.910 109.3 50.3 -59.9 -42.7 50.0 25.1 39.1 95 103 A A H 3X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.767 100.9 63.1 -67.0 -28.3 52.3 23.5 41.6 96 104 A A H 3<>S+ 0 0 0 -4,-1.1 5,-2.7 -3,-0.2 6,-1.1 0.830 102.8 50.6 -65.8 -31.9 49.3 22.2 43.6 97 105 A V H X<5S+ 0 0 27 -4,-1.1 3,-1.7 -3,-0.6 -2,-0.2 0.939 108.0 51.6 -70.4 -46.8 48.5 20.1 40.5 98 106 A F H 3<5S+ 0 0 38 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.854 110.9 48.8 -58.0 -35.7 52.0 18.7 40.3 99 107 A A T 3<5S- 0 0 1 -4,-1.9 118,-3.4 118,-0.1 119,-0.5 0.444 115.5-116.1 -84.8 -0.2 51.9 17.7 43.9 100 108 A G T < 5S+ 0 0 24 -3,-1.7 -3,-0.2 2,-0.3 114,-0.2 0.709 80.8 123.3 74.9 19.4 48.5 16.0 43.5 101 109 A V S - 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0 0 44 0, 0.0 2,-0.8 0, 0.0 -93,-0.2 -0.175 36.5-118.9 -56.6 149.0 53.5 39.0 50.3 247 255 A V E -h 153 0B 0 -95,-3.2 -93,-2.9 -96,-0.1 2,-1.3 -0.823 23.6-166.1 -93.5 108.4 55.2 36.5 48.0 248 256 A R E > +h 154 0B 76 -25,-2.5 4,-1.3 -2,-0.8 3,-0.3 -0.520 28.8 151.5 -94.6 68.3 58.3 35.3 49.8 249 257 A W H > + 0 0 5 -2,-1.3 4,-2.1 -95,-0.7 -94,-0.2 0.787 69.0 66.5 -66.8 -25.9 60.0 33.7 46.8 250 258 A D H > S+ 0 0 26 -96,-2.3 4,-1.6 -3,-0.3 -1,-0.2 0.932 102.7 44.7 -59.2 -46.1 63.3 34.4 48.5 251 259 A L H > S+ 0 0 49 -3,-0.3 4,-2.0 -97,-0.3 -1,-0.2 0.798 107.2 59.4 -69.5 -29.8 62.4 32.0 51.3 252 260 A C H X S+ 0 0 0 -4,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.928 107.6 45.9 -64.9 -42.6 61.2 29.4 48.8 253 261 A M H X S+ 0 0 4 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.854 108.7 55.8 -68.0 -34.2 64.7 29.4 47.2 254 262 A E H X S+ 0 0 88 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.895 108.3 49.3 -62.8 -39.4 66.3 29.2 50.6 255 263 A T H X S+ 0 0 18 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.878 104.5 57.0 -67.7 -37.5 64.2 26.1 51.2 256 264 A F H <>S+ 0 0 0 -4,-1.9 5,-2.5 1,-0.2 -1,-0.2 0.911 108.6 49.2 -59.4 -39.3 65.3 24.6 47.9 257 265 A K H ><5S+ 0 0 96 -4,-1.8 3,-2.3 1,-0.2 -2,-0.2 0.946 107.6 52.2 -62.9 -49.8 68.8 25.0 49.2 258 266 A E H 3<5S+ 0 0 159 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.784 108.5 53.0 -57.6 -27.3 68.0 23.3 52.5 259 267 A L T 3<5S- 0 0 66 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.473 117.3-116.4 -87.1 -3.3 66.6 20.5 50.4 260 268 A G T < 5 - 0 0 44 -3,-2.3 -3,-0.2 -4,-0.2 -258,-0.2 0.816 39.3-163.5 73.2 31.4 69.8 20.2 48.5 261 269 A V < + 0 0 13 -5,-2.5 -258,-0.2 1,-0.1 -1,-0.2 -0.162 19.5 174.9 -49.2 134.4 68.4 21.1 45.1 262 270 A T + 0 0 42 -260,-3.2 23,-2.0 1,-0.4 2,-0.3 0.530 65.8 20.9-118.1 -16.1 70.6 20.2 42.2 263 271 A A E -ad 3 285A 0 -261,-1.7 -259,-2.5 21,-0.2 2,-0.4 -0.986 58.2-162.3-155.6 144.0 68.4 21.1 39.3 264 272 A I E -ad 4 286A 5 21,-2.7 23,-2.0 -2,-0.3 2,-0.5 -0.996 2.4-169.2-132.2 128.8 65.4 23.3 38.6 265 273 A I E -ad 5 287A 0 -261,-1.9 -259,-2.4 -2,-0.4 2,-0.5 -0.976 9.8-155.5-117.4 125.4 63.0 23.1 35.7 266 274 A E E -ad 6 288A 0 21,-2.5 23,-2.8 -2,-0.5 4,-0.3 -0.901 18.2-133.0-102.1 124.0 60.5 25.9 35.2 267 275 A V - 0 0 0 -261,-2.5 -199,-0.2 -2,-0.5 -198,-0.1 -0.104 52.1 -27.9 -69.1 173.1 57.4 25.0 33.2 268 276 A C S S+ 0 0 0 -201,-0.4 -197,-0.2 1,-0.3 -1,-0.2 -0.425 127.9 33.6 -68.3 137.1 56.0 27.0 30.3 269 277 A P S S+ 0 0 11 0, 0.0 3,-0.4 0, 0.0 -1,-0.3 0.183 92.3 169.5 -92.2 109.1 56.2 29.9 30.0 270 278 A G + 0 0 14 19,-2.1 18,-0.1 -4,-0.3 -2,-0.1 -0.154 33.2 82.0 -80.5 174.1 59.7 29.8 31.6 271 279 A G S > S+ 0 0 28 16,-0.1 4,-2.0 -3,-0.0 -1,-0.2 -0.322 78.9 70.0 131.0 -51.4 62.5 32.3 31.9 272 280 A T H > S+ 0 0 73 -3,-0.4 4,-1.6 2,-0.2 5,-0.1 0.958 105.7 36.5 -65.4 -55.1 61.6 34.5 34.8 273 281 A L H > S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.859 116.7 55.4 -68.6 -32.5 62.1 32.0 37.7 274 282 A T H > S+ 0 0 6 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.894 105.3 52.4 -65.5 -39.3 65.0 30.5 35.9 275 283 A G H X S+ 0 0 31 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.900 110.3 48.1 -62.9 -39.9 66.7 33.9 35.7 276 284 A L H >X S+ 0 0 14 -4,-1.6 4,-2.9 1,-0.2 3,-0.8 0.901 109.4 53.2 -66.6 -41.1 66.2 34.3 39.5 277 285 A A H 3X S+ 0 0 3 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.890 101.8 58.5 -62.2 -40.5 67.6 30.9 40.2 278 286 A K H 3< S+ 0 0 140 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.756 115.1 38.6 -61.8 -23.2 70.8 31.6 38.2 279 287 A R H << S+ 0 0 183 -3,-0.8 -2,-0.2 -4,-0.7 -1,-0.2 0.898 126.7 30.0 -92.1 -50.2 71.4 34.5 40.5 280 288 A A H < S+ 0 0 19 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.666 121.0 49.6 -86.3 -18.7 70.4 33.2 43.9 281 289 A L S >< S- 0 0 5 -4,-2.9 3,-1.6 -5,-0.3 -1,-0.2 -0.508 72.2-175.8-122.5 67.0 71.2 29.5 43.4 282 290 A P T 3 S+ 0 0 109 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.315 72.0 28.4 -62.0 140.1 74.7 29.2 42.0 283 291 A G T 3 S+ 0 0 85 1,-0.3 2,-0.5 -5,-0.1 -5,-0.1 0.374 93.5 117.3 91.0 -5.3 75.8 25.7 41.1 284 292 A V < - 0 0 26 -3,-1.6 -1,-0.3 -7,-0.2 2,-0.2 -0.841 65.9-126.9-100.0 129.7 72.2 24.6 40.4 285 293 A K E -d 263 0A 110 -23,-2.0 -21,-2.7 -2,-0.5 2,-0.4 -0.548 31.4-168.8 -73.6 136.5 71.3 23.5 36.8 286 294 A T E +d 264 0A 35 -2,-0.2 2,-0.3 -23,-0.2 -21,-0.2 -0.965 13.8 178.7-130.1 146.8 68.4 25.3 35.5 287 295 A L E -d 265 0A 30 -23,-2.0 -21,-2.5 -2,-0.4 2,-0.5 -0.973 12.7-154.6-148.2 130.2 66.2 24.8 32.4 288 296 A A E -d 266 0A 19 -2,-0.3 2,-0.7 -23,-0.2 -21,-0.2 -0.913 14.6-137.9-108.8 129.4 63.1 26.8 31.3 289 297 A L + 0 0 0 -23,-2.8 -19,-2.1 -2,-0.5 -218,-0.1 -0.770 39.9 150.0 -86.1 114.3 60.5 25.2 29.1 290 298 A K + 0 0 119 -2,-0.7 -1,-0.2 1,-0.4 -23,-0.0 0.719 67.8 4.6-111.5 -37.8 59.5 27.7 26.4 291 299 A T S > S- 0 0 39 -271,-0.1 3,-2.8 -272,-0.0 -1,-0.4 -0.941 80.5 -97.9-143.5 163.1 58.5 25.4 23.5 292 300 A P G > S+ 0 0 19 0, 0.0 3,-1.7 0, 0.0 4,-0.4 0.762 117.3 71.8 -53.3 -25.3 58.1 21.7 22.9 293 301 A D G 3 S+ 0 0 140 1,-0.3 4,-0.4 2,-0.2 3,-0.2 0.661 89.8 60.8 -65.9 -15.3 61.6 21.8 21.3 294 302 A D G <> S+ 0 0 53 -3,-2.8 4,-1.7 1,-0.2 -1,-0.3 0.585 83.0 86.2 -86.3 -11.5 62.9 22.3 24.9 295 303 A L H <> S+ 0 0 7 -3,-1.7 4,-3.0 -4,-0.3 5,-0.2 0.864 80.5 55.1 -58.7 -45.3 61.5 18.9 26.0 296 304 A D H > S+ 0 0 116 -4,-0.4 4,-1.9 -3,-0.2 -1,-0.2 0.936 111.0 45.6 -56.4 -48.1 64.4 16.6 25.0 297 305 A A H > S+ 0 0 46 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.871 113.2 52.0 -62.8 -36.4 66.9 18.6 27.0 298 306 A A H X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.921 105.9 53.1 -66.0 -44.0 64.4 18.7 29.9 299 307 A R H X S+ 0 0 83 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.885 108.0 51.5 -58.6 -39.9 64.0 14.9 29.8 300 308 A E H X S+ 0 0 133 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.926 111.0 47.6 -63.0 -44.4 67.7 14.5 30.0 301 309 A L H X S+ 0 0 7 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.906 112.3 49.9 -63.5 -42.2 67.8 16.8 33.1 302 310 A V H >X S+ 0 0 10 -4,-2.8 3,-1.5 1,-0.2 4,-1.1 0.969 108.7 52.6 -60.3 -53.0 64.9 14.9 34.6 303 311 A A H 3< S+ 0 0 75 -4,-2.9 3,-0.4 1,-0.3 -2,-0.2 0.867 112.1 44.1 -51.1 -44.7 66.6 11.5 34.1 304 312 A E H 3< S+ 0 0 95 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.526 120.0 40.9 -83.0 -3.7 69.9 12.5 35.8 305 313 A H H << 0 0 11 -3,-1.5 -302,-0.4 -4,-0.7 -1,-0.2 0.366 360.0 360.0-123.2 3.6 68.2 14.2 38.7 306 314 A T < 0 0 101 -4,-1.1 -1,-0.1 -3,-0.4 -225,-0.1 -0.441 360.0 360.0-115.1 360.0 65.3 11.9 39.6