==== 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-APR-08 3CV1 . COMPND 2 MOLECULE: MALATE SYNTHASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.R.LOHMAN . 529 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21405.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 366 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 25 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 211 39.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.5 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 3 1 1 1 0 1 0 1 1 0 0 3 1 0 3 0 1 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 1 3 2 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 . 2 0 3 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 2 0 0 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 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 5 A A 0 0 155 0, 0.0 2,-0.1 0, 0.0 175,-0.0 0.000 360.0 360.0 360.0 148.5 15.2 38.8 -7.7 2 6 A T - 0 0 109 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.357 360.0-134.8 -76.4 155.5 17.0 42.2 -8.0 3 7 A T + 0 0 121 -2,-0.1 -1,-0.1 2,-0.0 0, 0.0 -0.053 47.8 165.6 -91.7 29.0 20.6 42.7 -9.1 4 8 A T - 0 0 43 1,-0.1 -2,-0.0 2,-0.0 0, 0.0 -0.131 33.3-168.9 -56.6 139.1 21.2 45.1 -6.3 5 9 A D + 0 0 92 2,-0.1 2,-0.3 170,-0.0 29,-0.2 -0.066 62.3 95.5-109.5 27.7 24.7 46.1 -5.3 6 10 A E - 0 0 129 28,-0.1 170,-0.6 25,-0.0 2,-0.2 -0.805 68.8-123.4-115.7 159.2 23.5 47.9 -2.1 7 11 A L E -A 175 0A 25 -2,-0.3 2,-0.3 168,-0.1 168,-0.2 -0.627 12.3-144.4 -96.9 159.8 23.2 46.7 1.5 8 12 A A E -A 174 0A 49 166,-2.6 166,-2.5 -2,-0.2 2,-0.4 -0.915 9.9-149.8-119.3 149.2 20.2 46.6 3.8 9 13 A F E -A 173 0A 80 -2,-0.3 164,-0.2 164,-0.2 163,-0.1 -0.975 9.2-167.7-123.7 133.3 20.3 47.2 7.6 10 14 A T + 0 0 84 162,-2.3 163,-0.1 -2,-0.4 -1,-0.1 0.634 66.4 71.5 -96.4 -17.9 18.0 45.6 10.1 11 15 A R S S- 0 0 67 161,-0.5 -2,-0.0 1,-0.1 0, 0.0 -0.702 91.5 -93.2-100.2 153.0 18.7 47.8 13.2 12 16 A P - 0 0 100 0, 0.0 2,-1.6 0, 0.0 5,-0.2 -0.286 36.8-116.2 -60.5 145.7 17.7 51.4 13.9 13 17 A Y + 0 0 126 4,-0.1 2,-0.0 -4,-0.1 -4,-0.0 -0.682 55.3 163.4 -87.1 81.2 20.3 54.0 12.9 14 18 A G > - 0 0 27 -2,-1.6 4,-2.4 1,-0.0 5,-0.2 -0.086 55.8 -76.0 -89.0-168.9 20.9 55.4 16.4 15 19 A E H > S+ 0 0 138 1,-0.2 4,-1.2 2,-0.2 -2,-0.0 0.908 129.9 48.8 -61.8 -41.7 23.7 57.5 17.8 16 20 A Q H > S+ 0 0 42 1,-0.2 4,-1.9 2,-0.2 3,-0.4 0.912 112.8 47.5 -62.3 -45.4 26.2 54.6 18.0 17 21 A E H > S+ 0 0 12 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.868 106.0 59.7 -66.4 -34.8 25.5 53.5 14.4 18 22 A K H < S+ 0 0 93 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.819 107.5 46.8 -60.7 -32.5 25.8 57.1 13.3 19 23 A Q H < S+ 0 0 91 -4,-1.2 3,-0.3 -3,-0.4 -2,-0.2 0.913 126.5 25.4 -71.9 -47.3 29.4 57.1 14.5 20 24 A I H < S+ 0 0 0 -4,-1.9 2,-0.9 1,-0.2 -2,-0.2 0.873 119.6 52.2 -92.0 -43.3 30.5 53.8 13.0 21 25 A L S < S+ 0 0 5 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.1 -0.495 76.1 161.5 -96.4 60.7 28.2 53.4 10.0 22 26 A T > - 0 0 43 -2,-0.9 4,-3.0 -3,-0.3 5,-0.3 -0.265 57.0 -99.5 -68.4 164.6 28.8 56.8 8.4 23 27 A A H > S+ 0 0 87 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.922 126.2 45.2 -50.7 -46.6 28.0 57.3 4.7 24 28 A E H > S+ 0 0 100 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.915 113.0 48.7 -69.0 -42.9 31.6 56.8 3.7 25 29 A A H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.932 113.0 48.5 -62.2 -45.0 32.1 53.7 6.0 26 30 A V H X S+ 0 0 29 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.897 108.5 53.8 -64.8 -40.0 28.9 52.2 4.5 27 31 A E H X S+ 0 0 110 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.937 112.5 44.0 -55.2 -48.5 30.0 52.9 0.9 28 32 A F H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.956 113.4 49.6 -63.6 -51.7 33.4 51.1 1.5 29 33 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.898 108.9 54.2 -51.7 -44.3 31.7 48.2 3.3 30 34 A T H X S+ 0 0 11 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.935 107.6 50.5 -58.0 -46.7 29.2 47.9 0.4 31 35 A E H X S+ 0 0 38 -4,-2.1 4,-2.2 1,-0.2 5,-0.2 0.911 112.0 46.3 -58.5 -47.3 32.1 47.6 -2.1 32 36 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.4 0.931 112.9 49.9 -61.6 -47.0 33.9 44.9 -0.1 33 37 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.961 114.9 41.7 -58.6 -52.7 30.7 42.9 0.4 34 38 A T H < S+ 0 0 25 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.875 119.7 44.8 -66.6 -36.2 29.6 42.9 -3.3 35 39 A H H < S+ 0 0 106 -4,-2.2 4,-0.3 -5,-0.3 -1,-0.2 0.859 128.0 23.1 -72.6 -35.5 33.2 42.3 -4.6 36 40 A F H X S+ 0 0 13 -4,-2.6 4,-2.0 -5,-0.2 -3,-0.2 0.620 98.2 80.7-115.4 -16.8 34.2 39.5 -2.1 37 41 A T H X S+ 0 0 7 -4,-2.5 4,-2.9 -5,-0.4 5,-0.2 0.927 90.4 55.7 -62.3 -45.8 31.1 37.7 -0.7 38 42 A P H > S+ 0 0 60 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.928 111.4 44.3 -52.6 -47.6 30.5 35.5 -3.8 39 43 A Q H > S+ 0 0 84 -4,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.894 110.8 54.7 -63.7 -39.5 34.1 34.1 -3.5 40 44 A R H X S+ 0 0 16 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.930 109.1 48.3 -58.0 -44.9 33.7 33.7 0.3 41 45 A N H X S+ 0 0 79 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.883 109.5 52.4 -62.4 -38.0 30.6 31.6 -0.3 42 46 A K H X S+ 0 0 144 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.893 107.7 52.4 -65.3 -37.8 32.5 29.5 -2.9 43 47 A L H X S+ 0 0 7 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.910 108.1 50.4 -64.5 -39.6 35.2 28.9 -0.3 44 48 A L H X S+ 0 0 41 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.924 111.5 48.7 -63.7 -41.0 32.5 27.7 2.2 45 49 A A H X S+ 0 0 53 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.884 107.4 54.7 -66.1 -38.4 31.2 25.4 -0.4 46 50 A A H X S+ 0 0 50 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.872 101.5 59.9 -60.8 -38.5 34.7 24.1 -1.2 47 51 A R H X S+ 0 0 25 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.909 103.2 51.5 -53.8 -43.6 35.1 23.2 2.5 48 52 A I H X S+ 0 0 95 -4,-1.2 4,-2.3 -3,-0.2 -1,-0.2 0.929 110.6 47.3 -61.8 -46.9 32.1 20.9 2.2 49 53 A Q H X S+ 0 0 103 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.916 112.7 48.7 -63.8 -43.5 33.6 19.1 -0.8 50 54 A Q H X S+ 0 0 120 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.908 111.2 50.5 -62.0 -41.0 37.0 18.7 0.9 51 55 A Q H X S+ 0 0 42 -4,-2.4 4,-3.1 -5,-0.2 5,-0.2 0.911 106.8 54.4 -66.8 -42.0 35.4 17.4 4.1 52 56 A Q H X S+ 0 0 77 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.891 105.9 52.7 -56.7 -41.9 33.4 14.8 2.2 53 57 A D H <>S+ 0 0 85 -4,-1.7 5,-1.6 2,-0.2 -1,-0.2 0.891 111.7 46.3 -63.9 -38.1 36.6 13.4 0.6 54 58 A I H ><5S+ 0 0 18 -4,-1.8 3,-2.2 1,-0.2 -2,-0.2 0.951 110.5 51.6 -65.8 -48.7 38.1 13.0 4.0 55 59 A D H 3<5S+ 0 0 40 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.876 102.9 63.2 -50.0 -39.8 34.9 11.4 5.4 56 60 A N T 3<5S- 0 0 137 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.336 129.6 -89.8 -78.6 8.0 35.2 9.0 2.4 57 61 A G T < 5S+ 0 0 50 -3,-2.2 2,-0.7 1,-0.2 -3,-0.2 0.490 88.0 120.5 106.1 7.4 38.5 7.6 3.6 58 62 A T < - 0 0 105 -5,-1.6 -1,-0.2 -4,-0.1 -2,-0.1 -0.895 52.8-145.2-105.7 110.3 41.3 9.7 2.2 59 63 A L - 0 0 60 -2,-0.7 339,-0.0 1,-0.1 224,-0.0 -0.331 25.6 -99.2 -69.9 149.2 43.3 11.3 5.0 60 64 A P + 0 0 21 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.339 49.9 159.7 -68.5 155.4 44.8 14.8 4.6 61 65 A D - 0 0 96 1,-0.1 191,-0.1 188,-0.1 3,-0.1 -0.899 46.9 -58.7-155.5 178.3 48.4 15.2 3.6 62 66 A F - 0 0 62 -2,-0.3 2,-0.5 1,-0.1 191,-0.1 -0.164 62.4 -97.0 -61.0 162.0 50.6 17.9 2.0 63 67 A I - 0 0 42 189,-0.5 3,-0.1 1,-0.2 -1,-0.1 -0.738 27.8-159.5 -88.9 123.4 49.8 19.1 -1.4 64 68 A S S > S+ 0 0 101 -2,-0.5 3,-1.7 1,-0.2 -1,-0.2 0.952 84.5 55.4 -69.5 -45.1 51.7 17.5 -4.3 65 69 A E T > S+ 0 0 115 1,-0.3 3,-0.5 2,-0.1 -1,-0.2 0.781 103.4 54.8 -62.0 -29.2 51.3 20.1 -7.0 66 70 A T T >> S+ 0 0 23 1,-0.2 4,-1.6 -3,-0.1 3,-1.3 0.187 70.0 117.0 -91.9 17.2 52.7 23.1 -5.0 67 71 A A H <> + 0 0 39 -3,-1.7 4,-2.0 1,-0.3 -1,-0.2 0.841 69.3 61.1 -50.1 -38.0 56.0 21.2 -4.2 68 72 A S H <4 S+ 0 0 93 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.799 103.1 50.3 -65.1 -32.0 57.9 23.9 -6.1 69 73 A I H X4 S+ 0 0 39 -3,-1.3 3,-1.3 1,-0.2 -1,-0.2 0.933 111.7 47.1 -68.3 -47.6 56.7 26.6 -3.7 70 74 A R H 3< S+ 0 0 49 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.829 113.9 47.1 -65.5 -33.0 57.7 24.6 -0.6 71 75 A D T 3< S+ 0 0 133 -4,-2.0 2,-0.3 2,-0.1 -1,-0.3 0.129 98.2 88.2-101.0 18.8 61.2 23.7 -2.0 72 76 A A S < S- 0 0 37 -3,-1.3 2,-0.5 -5,-0.1 -3,-0.0 -0.821 79.6-115.1-109.1 155.2 62.0 27.3 -3.1 73 77 A D + 0 0 157 -2,-0.3 2,-0.3 2,-0.0 245,-0.1 -0.782 56.5 126.6 -87.1 131.4 63.7 30.1 -1.1 74 78 A W - 0 0 29 -2,-0.5 2,-0.3 243,-0.3 -2,-0.0 -0.912 36.1-149.3-176.3 156.7 61.5 33.1 -0.5 75 79 A K - 0 0 129 -2,-0.3 244,-0.2 244,-0.1 243,-0.1 -0.883 31.2 -86.7-132.9 163.6 60.3 35.2 2.4 76 80 A I - 0 0 14 242,-2.9 187,-0.2 -2,-0.3 3,-0.1 -0.251 49.1-103.2 -62.0 159.8 57.3 37.3 3.4 77 81 A R S S- 0 0 145 185,-2.7 2,-0.3 1,-0.2 186,-0.1 0.908 76.7 -75.6 -57.1 -45.7 57.3 40.9 2.3 78 82 A G - 0 0 26 184,-0.4 -1,-0.2 187,-0.4 241,-0.0 -0.904 30.5-104.1 162.4 172.6 58.2 42.2 5.7 79 83 A I - 0 0 36 -2,-0.3 5,-0.1 -3,-0.1 187,-0.0 -0.982 36.0-122.8-125.9 127.6 57.4 43.1 9.3 80 84 A P > - 0 0 36 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.286 31.4-104.6 -69.5 160.1 56.9 46.6 10.5 81 85 A A G > S+ 0 0 80 1,-0.3 3,-1.4 2,-0.2 4,-0.2 0.852 118.3 53.8 -51.3 -43.6 59.1 48.0 13.4 82 86 A D G 3 S+ 0 0 41 120,-0.3 -1,-0.3 1,-0.3 76,-0.1 0.476 107.4 52.4 -78.5 1.7 56.4 47.8 16.1 83 87 A L G < S+ 0 0 1 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.246 82.4 90.1-113.0 11.0 55.7 44.1 15.3 84 88 A E S < S+ 0 0 69 -3,-1.4 2,-0.4 1,-0.2 -2,-0.1 0.571 90.6 44.6 -81.7 -15.2 59.4 42.9 15.6 85 89 A D + 0 0 33 -4,-0.2 -1,-0.2 -3,-0.1 299,-0.1 -0.924 58.2 145.2-132.5 109.0 59.0 42.2 19.3 86 90 A R + 0 0 0 -2,-0.4 274,-0.4 272,-0.4 23,-0.1 -0.122 14.4 145.6-133.2 36.6 55.8 40.3 20.2 87 91 A R S S+ 0 0 18 296,-0.3 273,-1.2 272,-0.2 2,-0.4 0.801 75.6 17.4 -55.0 -37.8 57.2 38.1 23.1 88 92 A V E -c 360 0B 0 271,-0.2 20,-2.0 -3,-0.1 21,-1.2 -0.999 68.1-176.7-133.4 135.5 53.9 38.3 25.0 89 93 A E E -cd 361 109B 0 271,-2.3 273,-2.0 -2,-0.4 2,-0.4 -0.975 14.7-146.4-123.2 143.5 50.4 39.3 23.7 90 94 A I E -cd 362 110B 2 19,-2.6 21,-2.8 -2,-0.4 2,-0.3 -0.886 14.1-156.5-104.1 143.0 47.3 39.7 25.8 91 95 A T E + d 0 111B 18 271,-2.0 21,-0.2 -2,-0.4 19,-0.0 -0.793 26.5 125.6-111.4 155.4 43.9 38.8 24.3 92 96 A G E - d 0 112B 7 19,-1.7 21,-2.5 -2,-0.3 25,-0.1 -0.937 48.8 -48.4 172.7 177.5 40.4 40.0 25.3 93 97 A P E - d 0 113B 27 0, 0.0 21,-0.1 0, 0.0 25,-0.1 -0.040 39.5-124.8 -57.8 155.5 37.0 41.5 24.6 94 98 A V + 0 0 5 19,-0.6 37,-0.2 18,-0.1 38,-0.1 0.237 67.5 130.8 -88.6 12.4 36.3 44.8 22.8 95 99 A E > - 0 0 82 1,-0.1 4,-2.4 36,-0.1 5,-0.2 -0.383 68.8-114.1 -65.5 146.7 34.4 46.1 25.9 96 100 A R H > S+ 0 0 54 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.897 109.6 40.4 -57.5 -55.0 35.5 49.6 26.9 97 101 A K H > S+ 0 0 35 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.914 115.6 52.5 -62.8 -42.1 37.1 49.0 30.4 98 102 A M H > S+ 0 0 96 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.858 105.7 54.6 -62.9 -36.9 38.7 45.7 29.2 99 103 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.947 110.5 46.3 -60.2 -48.7 40.3 47.5 26.2 100 104 A I H X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.939 113.7 47.7 -58.9 -48.9 41.9 50.0 28.5 101 105 A N H < S+ 0 0 50 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.888 113.6 47.3 -64.2 -39.1 43.2 47.4 31.0 102 106 A A H >< S+ 0 0 7 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.918 110.6 50.7 -67.2 -43.9 44.6 45.2 28.2 103 107 A L H 3< S+ 0 0 7 -4,-2.5 54,-2.2 1,-0.3 -1,-0.2 0.807 111.9 50.4 -64.1 -28.7 46.4 48.1 26.5 104 108 A N T 3< S+ 0 0 59 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.514 87.9 109.9 -84.4 -9.9 47.8 49.0 29.9 105 109 A A S < S- 0 0 14 -3,-1.2 2,-2.3 -4,-0.5 52,-0.1 -0.254 86.3-102.6 -66.0 155.3 49.1 45.5 30.7 106 110 A N S S+ 0 0 83 259,-0.3 2,-0.3 50,-0.0 266,-0.2 -0.464 86.0 107.0 -78.2 69.3 52.9 44.8 30.7 107 111 A V S S- 0 0 13 -2,-2.3 -18,-0.2 -5,-0.2 3,-0.1 -0.894 74.2-123.0-140.3 169.1 52.8 43.2 27.2 108 112 A K S S+ 0 0 76 -20,-2.0 50,-2.3 -2,-0.3 2,-0.3 0.872 89.9 20.3 -81.2 -38.5 53.9 44.0 23.7 109 113 A V E -de 89 158B 0 -21,-1.2 -19,-2.6 48,-0.3 2,-0.5 -0.967 55.8-152.7-139.2 144.3 50.5 43.6 22.0 110 114 A F E -de 90 159B 0 48,-2.9 50,-2.2 -2,-0.3 2,-0.9 -0.984 12.6-155.0-114.8 119.5 46.8 43.5 22.8 111 115 A M E -de 91 160B 0 -21,-2.8 -19,-1.7 -2,-0.5 2,-0.4 -0.854 11.3-151.8 -93.8 106.9 44.6 41.5 20.4 112 116 A A E -de 92 161B 0 48,-2.4 50,-3.2 -2,-0.9 2,-0.6 -0.681 20.3-139.4 -75.5 129.6 41.1 43.0 20.7 113 117 A D E +de 93 162B 1 -21,-2.5 -19,-0.6 -2,-0.4 50,-0.1 -0.839 44.1 159.7-112.2 116.9 38.7 40.2 19.9 114 118 A F S S+ 0 0 1 48,-2.4 49,-0.1 -2,-0.6 -1,-0.1 0.337 76.3 63.4 -96.3 2.3 35.4 40.2 17.8 115 119 A E S > S- 0 0 6 47,-0.2 3,-2.7 48,-0.1 49,-0.1 0.488 109.9 -8.3-100.9-123.5 35.7 36.4 17.5 116 120 A D T 3 S+ 0 0 12 1,-0.3 328,-1.7 327,-0.1 48,-0.0 0.666 130.7 49.8 -59.0 -26.2 35.7 33.5 20.0 117 121 A S T 3 S+ 0 0 8 326,-0.2 2,-0.5 -25,-0.1 316,-0.4 0.414 101.9 78.4 -93.0 4.0 35.7 35.6 23.2 118 122 A L < - 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0 0 17 -5,-2.4 -1,-0.2 -6,-0.2 -122,-0.1 -0.090 59.7-144.8-108.1-148.1 51.8 51.8 13.7 204 208 A G - 0 0 1 -45,-0.2 2,-0.9 -2,-0.1 35,-0.1 -0.984 33.7 -69.8-172.0 170.3 49.4 50.2 11.1 205 209 A P - 0 0 0 0, 0.0 35,-1.8 0, 0.0 2,-0.4 -0.704 59.4-177.9 -78.7 107.4 46.1 48.4 10.5 206 210 A Y E - g 0 240B 4 -2,-0.9 -45,-2.6 -47,-0.4 2,-0.3 -0.902 6.7-172.1-116.4 138.9 46.8 45.0 12.0 207 211 A F E -fg 161 241B 0 33,-2.4 35,-2.2 -2,-0.4 2,-0.4 -0.881 21.0-145.3-129.1 154.3 44.6 42.0 12.0 208 212 A Y E -fg 162 242B 0 -47,-2.4 -45,-1.7 -2,-0.3 35,-0.2 -0.984 21.0-157.2-112.7 130.7 44.3 38.5 13.5 209 213 A L E - g 0 243B 0 33,-2.5 35,-2.2 -2,-0.4 3,-0.3 -0.943 11.8-158.9-115.1 122.5 42.7 35.9 11.2 210 214 A P + 0 0 4 0, 0.0 -44,-0.4 0, 0.0 35,-0.1 -0.575 55.9 8.3-101.0 159.8 41.1 32.8 12.8 211 215 A K + 0 0 6 -2,-0.2 34,-0.1 1,-0.2 32,-0.0 0.615 68.8 173.1 57.6 21.2 40.1 29.3 11.7 212 216 A T - 0 0 1 32,-0.5 34,-0.4 -3,-0.3 38,-0.3 -0.357 11.9-177.8 -55.1 137.4 41.6 29.4 8.2 213 217 A Q + 0 0 38 1,-0.2 2,-0.3 36,-0.1 -1,-0.1 0.634 57.6 22.7-109.9 -24.7 41.4 26.0 6.5 214 218 A S >> - 0 0 17 1,-0.1 4,-1.7 42,-0.0 3,-0.7 -0.966 68.7-115.6-145.9 158.3 43.2 26.5 3.1 215 219 A W H 3> S+ 0 0 84 -2,-0.3 4,-2.8 1,-0.2 5,-0.1 0.833 115.1 62.6 -62.2 -30.0 45.6 28.5 1.1 216 220 A Q H 3> S+ 0 0 81 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.838 101.6 51.6 -63.6 -32.8 42.8 29.6 -1.2 217 221 A E H <> S+ 0 0 3 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.917 109.2 49.7 -69.5 -42.7 41.2 31.2 1.9 218 222 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.918 108.8 53.4 -56.4 -44.9 44.5 33.0 2.6 219 223 A A H X S+ 0 0 27 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.925 106.1 52.4 -58.5 -42.0 44.5 34.2 -1.1 220 224 A W H X S+ 0 0 3 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.937 108.5 50.6 -60.2 -45.5 41.0 35.6 -0.7 221 225 A W H X S+ 0 0 3 -4,-2.0 4,-3.0 1,-0.2 -1,-0.2 0.909 107.2 54.5 -57.7 -41.8 42.2 37.6 2.4 222 226 A S H X S+ 0 0 17 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.879 109.4 47.8 -60.1 -37.9 45.1 38.9 0.3 223 227 A E H X S+ 0 0 116 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.910 111.6 49.5 -69.8 -42.9 42.6 40.2 -2.3 224 228 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.946 114.3 45.2 -59.0 -48.9 40.5 41.8 0.3 225 229 A F H X S+ 0 0 0 -4,-3.0 4,-3.0 2,-0.2 -2,-0.2 0.911 113.4 49.1 -60.4 -46.3 43.6 43.5 1.9 226 230 A S H X S+ 0 0 22 -4,-2.4 4,-3.1 -5,-0.2 5,-0.2 0.897 111.0 51.5 -64.3 -39.9 44.9 44.6 -1.6 227 231 A Y H X S+ 0 0 59 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.949 111.9 46.1 -59.3 -49.4 41.5 46.0 -2.5 228 232 A A H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.922 114.2 48.4 -60.4 -47.0 41.4 48.0 0.8 229 233 A E H <>S+ 0 0 0 -4,-3.0 5,-3.1 1,-0.2 3,-0.5 0.947 113.6 46.4 -58.5 -50.9 45.0 49.3 0.3 230 234 A D H ><5S+ 0 0 95 -4,-3.1 3,-1.8 1,-0.2 -1,-0.2 0.890 105.3 60.5 -58.8 -40.3 44.3 50.3 -3.3 231 235 A R H 3<5S+ 0 0 78 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.854 115.7 33.3 -59.0 -39.2 41.0 52.0 -2.4 232 236 A F T 3<5S- 0 0 28 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.083 115.9-111.3-105.9 20.9 42.9 54.5 -0.1 233 237 A N T < 5 + 0 0 149 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.868 62.7 156.2 55.2 41.0 46.1 54.6 -2.1 234 238 A L < - 0 0 23 -5,-3.1 -1,-0.2 -6,-0.2 3,-0.1 -0.739 47.8-101.4 -92.6 149.7 48.2 52.7 0.4 235 239 A P > - 0 0 95 0, 0.0 3,-1.5 0, 0.0 2,-0.1 -0.304 50.1 -86.2 -68.9 154.6 51.3 50.8 -0.6 236 240 A R T 3 S+ 0 0 75 1,-0.3 -10,-0.1 2,-0.1 -11,-0.0 -0.377 115.7 27.4 -59.0 132.8 51.0 47.0 -0.9 237 241 A G T 3 S+ 0 0 9 -3,-0.1 -1,-0.3 -2,-0.1 -11,-0.0 0.589 77.2 122.8 90.9 9.8 51.5 45.3 2.5 238 242 A T < + 0 0 21 -3,-1.5 2,-0.4 -13,-0.1 -2,-0.1 0.913 65.5 67.5 -65.7 -45.7 50.4 48.2 4.7 239 243 A I S S- 0 0 0 -14,-0.1 2,-0.4 -35,-0.1 -33,-0.2 -0.656 77.1-162.1 -72.9 129.0 47.8 45.9 6.2 240 244 A K E -g 206 0B 15 -35,-1.8 -33,-2.4 -2,-0.4 2,-0.4 -0.969 5.9-168.6-120.4 132.8 49.5 43.2 8.3 241 245 A A E -gh 207 265B 0 23,-2.5 25,-2.5 -2,-0.4 26,-0.6 -0.922 15.8-157.4-120.5 145.7 47.9 40.0 9.4 242 246 A T E -gh 208 267B 1 -35,-2.2 -33,-2.5 -2,-0.4 2,-0.5 -0.966 23.0-152.1-115.8 133.0 48.8 37.2 11.9 243 247 A L E -gh 209 268B 0 24,-2.6 26,-1.2 -2,-0.4 2,-0.3 -0.928 6.4-136.5-122.3 121.2 47.0 34.0 11.1 244 248 A L E - h 0 269B 4 -35,-2.2 2,-1.0 -2,-0.5 -32,-0.5 -0.540 5.8-150.4 -73.7 131.5 46.1 31.2 13.6 245 249 A I + 0 0 0 24,-2.7 26,-0.5 -2,-0.3 30,-0.1 -0.855 48.5 135.8 -96.2 93.5 46.8 27.7 12.4 246 250 A E + 0 0 9 -2,-1.0 2,-0.3 -34,-0.4 32,-0.3 0.019 43.9 75.9-138.0 25.9 44.0 26.1 14.4 247 251 A T S > S- 0 0 6 -35,-0.2 4,-1.0 1,-0.1 28,-0.1 -0.977 76.7-126.7-131.7 149.7 42.3 23.7 12.0 248 252 A L H >> S+ 0 0 0 -2,-0.3 3,-0.8 27,-0.3 4,-0.6 0.920 108.7 53.5 -60.4 -46.4 43.6 20.3 10.9 249 253 A P H >4 S+ 0 0 22 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.914 105.1 57.2 -54.8 -39.7 43.4 21.1 7.1 250 254 A A H >4 S+ 0 0 0 -38,-0.3 3,-2.0 1,-0.3 -2,-0.2 0.780 91.3 68.1 -64.5 -29.1 45.5 24.2 7.6 251 255 A V H << S+ 0 0 1 -4,-1.0 3,-0.4 -3,-0.8 -1,-0.3 0.747 100.2 51.8 -64.5 -20.9 48.5 22.4 9.2 252 256 A F T << S+ 0 0 5 -3,-1.4 -189,-0.5 -4,-0.6 -1,-0.3 0.416 114.1 43.0 -89.0 -0.5 49.1 20.7 5.8 253 257 A Q <> + 0 0 27 -3,-2.0 4,-2.6 -4,-0.2 5,-0.2 0.048 69.8 120.9-135.7 23.7 49.1 24.1 4.0 254 258 A M H > S+ 0 0 5 -3,-0.4 4,-2.6 1,-0.2 5,-0.2 0.904 81.4 45.6 -59.2 -44.7 51.2 26.5 6.2 255 259 A D H > S+ 0 0 13 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.916 113.9 49.1 -68.0 -40.8 53.8 27.3 3.6 256 260 A E H > S+ 0 0 5 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.876 111.1 51.6 -66.0 -33.2 51.0 27.8 0.9 257 261 A I H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.936 110.1 47.4 -66.2 -48.6 49.2 30.1 3.4 258 262 A L H < S+ 0 0 0 -4,-2.6 7,-0.2 1,-0.2 -2,-0.2 0.907 115.6 46.8 -56.5 -41.4 52.3 32.1 4.0 259 263 A H H >< S+ 0 0 60 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.922 111.3 49.3 -69.7 -44.4 52.9 32.3 0.2 260 264 A A H 3< S+ 0 0 19 -4,-2.8 -1,-0.2 1,-0.3 3,-0.2 0.806 122.7 33.7 -65.7 -31.6 49.3 33.3 -0.6 261 265 A L T >X S+ 0 0 0 -4,-1.9 4,-2.9 -5,-0.2 3,-1.8 0.070 81.9 128.5-108.2 23.1 49.3 36.0 2.0 262 266 A R T <4 + 0 0 89 -3,-1.4 -185,-2.7 1,-0.3 -184,-0.4 0.766 68.0 54.3 -59.4 -32.9 53.0 36.9 1.5 263 267 A D T 34 S+ 0 0 37 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.789 126.1 20.5 -65.1 -28.4 52.4 40.7 1.1 264 268 A H T <4 S+ 0 0 0 -3,-1.8 -23,-2.5 -24,-0.1 -2,-0.2 0.611 95.9 102.0-120.3 -22.8 50.5 41.0 4.3 265 269 A I E < +h 241 0B 0 -4,-2.9 -187,-0.4 -7,-0.2 -23,-0.2 -0.454 29.8 168.4 -78.1 142.7 51.3 38.1 6.6 266 270 A V E - 0 0 0 -25,-2.5 55,-2.7 1,-0.4 2,-0.3 0.393 62.0 -13.7-130.2 -1.8 53.7 38.4 9.6 267 271 A G E -hi 242 321B 0 -26,-0.6 -24,-2.6 53,-0.3 -1,-0.4 -0.930 49.1-129.1 175.3 161.1 53.2 35.2 11.6 268 272 A L E -hi 243 322B 0 53,-2.3 55,-3.0 -2,-0.3 2,-0.4 -0.877 24.5-142.0-119.6 158.8 51.3 32.1 12.4 269 273 A N E -hi 244 323B 1 -26,-1.2 -24,-2.7 -2,-0.3 2,-0.3 -0.961 5.7-136.1-123.0 143.5 50.0 30.8 15.8 270 274 A C - 0 0 5 53,-2.6 2,-0.3 -2,-0.4 -24,-0.1 -0.660 28.0-179.2 -80.9 146.2 49.7 27.4 17.5 271 275 A G - 0 0 15 -26,-0.5 54,-0.1 -2,-0.3 0, 0.0 -0.874 20.6-158.6-132.7 171.0 46.5 26.8 19.4 272 276 A R S > S+ 0 0 66 -2,-0.3 4,-2.5 3,-0.1 5,-0.3 0.707 82.2 39.6-111.7 -61.8 45.2 23.9 21.4 273 277 A W H > S+ 0 0 54 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.920 118.4 43.2 -65.9 -50.8 41.5 23.9 21.8 274 278 A D H > S+ 0 0 9 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.897 114.5 54.1 -58.2 -38.8 40.4 25.0 18.2 275 279 A Y H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -27,-0.3 0.948 112.8 39.1 -63.7 -47.4 43.0 22.7 16.7 276 280 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.867 113.3 56.6 -76.7 -30.8 41.9 19.5 18.5 277 281 A F H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.969 111.6 44.3 -51.1 -56.0 38.3 20.5 18.0 278 282 A S H X S+ 0 0 5 -4,-2.8 4,-3.2 -32,-0.3 5,-0.3 0.875 106.7 59.8 -58.8 -41.0 39.1 20.6 14.3 279 283 A Y H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.941 110.4 42.4 -51.4 -50.2 41.0 17.3 14.5 280 284 A I H < S+ 0 0 1 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.924 115.7 47.9 -65.3 -47.5 37.8 15.6 15.7 281 285 A K H >< S+ 0 0 23 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.923 115.4 45.8 -58.3 -45.2 35.5 17.4 13.2 282 286 A T H 3< S+ 0 0 4 -4,-3.2 3,-0.3 1,-0.3 -2,-0.2 0.919 123.5 33.4 -66.0 -42.8 37.9 16.6 10.4 283 287 A L T >< S+ 0 0 0 -4,-2.5 3,-2.3 -5,-0.3 -1,-0.3 0.028 81.6 129.5-101.1 27.5 38.4 12.9 11.3 284 288 A K T < S+ 0 0 36 -3,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.760 71.8 47.8 -59.0 -30.7 34.8 12.6 12.7 285 289 A N T 3 S+ 0 0 61 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.302 88.0 101.2 -95.2 9.1 34.1 9.4 10.7 286 290 A Y X - 0 0 30 -3,-2.3 3,-1.8 -6,-0.2 174,-0.1 -0.840 52.6-165.3-102.9 105.5 37.3 7.6 11.6 287 291 A P T 3 S+ 0 0 80 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.749 90.8 54.9 -60.1 -22.6 36.9 4.9 14.4 288 292 A D T 3 S+ 0 0 140 1,-0.2 -2,-0.0 116,-0.0 0, 0.0 0.268 96.8 66.4 -93.2 10.2 40.7 4.8 14.9 289 293 A R < + 0 0 52 -3,-1.8 2,-0.5 -6,-0.2 -1,-0.2 -0.034 63.4 138.0-121.0 30.2 41.0 8.6 15.5 290 294 A V - 0 0 18 -3,-0.5 163,-0.0 114,-0.1 -6,-0.0 -0.671 43.3-144.7 -80.6 123.5 39.1 9.0 18.8 291 295 A L - 0 0 3 -2,-0.5 3,-0.1 1,-0.1 115,-0.1 -0.592 11.7-128.9 -84.2 147.5 41.0 11.3 21.2 292 296 A P - 0 0 6 0, 0.0 117,-0.3 0, 0.0 5,-0.1 -0.012 66.2 -25.0 -73.8-168.2 40.9 10.7 25.0 293 297 A D > - 0 0 18 115,-2.6 3,-1.8 1,-0.2 4,-0.5 -0.140 59.4-137.6 -41.2 123.7 39.9 13.3 27.6 294 298 A R G > S+ 0 0 16 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.825 103.9 66.9 -59.6 -28.8 40.6 16.7 26.0 295 299 A Q G 3 S+ 0 0 68 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.810 104.5 43.9 -55.7 -33.3 42.1 17.7 29.4 296 300 A A G < S+ 0 0 38 -3,-1.8 2,-1.7 112,-0.2 -1,-0.3 0.419 86.5 95.3 -93.2 -6.9 44.9 15.1 28.8 297 301 A V < + 0 0 0 -3,-1.1 2,-0.2 -4,-0.5 -1,-0.1 -0.642 63.5 172.0 -87.9 81.3 45.4 16.1 25.1 298 302 A T > - 0 0 39 -2,-1.7 3,-2.3 1,-0.1 6,-0.3 -0.541 47.8-106.6 -98.0 160.4 48.3 18.4 26.0 299 303 A M T 3 S+ 0 0 54 1,-0.3 9,-0.2 -2,-0.2 -1,-0.1 0.641 114.7 64.4 -61.0 -18.4 50.7 20.3 23.6 300 304 A D T 3 S+ 0 0 105 4,-0.1 -1,-0.3 5,-0.1 5,-0.1 0.551 75.1 113.2 -82.2 -7.9 53.6 17.9 24.5 301 305 A K S X> S- 0 0 60 -3,-2.3 4,-2.9 1,-0.1 3,-0.6 -0.350 84.6-107.5 -63.2 148.4 51.8 14.9 23.0 302 306 A P H 3> S+ 0 0 95 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.863 116.5 46.1 -49.9 -48.1 53.6 13.6 19.9 303 307 A F H 3> S+ 0 0 0 100,-0.4 4,-1.8 1,-0.2 5,-0.1 0.861 117.0 44.5 -65.8 -32.6 51.0 14.9 17.3 304 308 A L H <> S+ 0 0 0 -3,-0.6 4,-2.6 -6,-0.3 -1,-0.2 0.861 112.5 50.9 -79.9 -33.5 50.8 18.3 18.9 305 309 A N H X S+ 0 0 47 -4,-2.9 4,-3.0 2,-0.2 -2,-0.2 0.880 109.9 51.0 -67.0 -39.9 54.6 18.6 19.3 306 310 A A H X S+ 0 0 2 -4,-2.5 4,-2.7 -5,-0.3 5,-0.2 0.943 110.6 49.5 -60.3 -47.1 55.0 17.7 15.7 307 311 A Y H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.935 112.4 47.9 -54.2 -51.7 52.5 20.5 14.8 308 312 A S H X S+ 0 0 7 -4,-2.6 4,-2.6 -9,-0.2 -2,-0.2 0.945 114.1 45.6 -55.1 -52.4 54.4 23.0 17.0 309 313 A R H X S+ 0 0 46 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.870 113.4 49.2 -64.4 -37.4 57.8 22.1 15.5 310 314 A L H X S+ 0 0 23 -4,-2.7 4,-2.7 -5,-0.2 -1,-0.2 0.923 110.9 50.3 -68.5 -42.0 56.5 22.2 11.9 311 315 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.2 5,-0.2 0.946 112.4 46.3 -62.9 -48.2 54.8 25.5 12.4 312 316 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.937 114.6 47.2 -59.1 -50.0 58.0 27.1 13.9 313 317 A K H X S+ 0 0 66 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.935 114.9 46.7 -57.8 -46.8 60.3 25.6 11.1 314 318 A T H X S+ 0 0 18 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.944 113.5 46.9 -64.3 -50.2 57.9 26.8 8.4 315 319 A C H ><>S+ 0 0 0 -4,-2.9 5,-2.9 -5,-0.2 3,-0.7 0.940 113.5 47.4 -56.5 -49.1 57.4 30.3 9.7 316 320 A H H ><5S+ 0 0 1 -4,-2.6 3,-1.2 1,-0.3 -1,-0.2 0.874 104.6 61.1 -68.7 -30.2 61.1 30.9 10.3 317 321 A K H 3<5S+ 0 0 80 -4,-2.2 -243,-0.3 1,-0.3 -1,-0.3 0.860 113.7 37.6 -56.7 -36.2 61.9 29.6 6.8 318 322 A R T <<5S- 0 0 1 -4,-1.3 -242,-2.9 -3,-0.7 -1,-0.3 0.314 118.3-108.7-100.7 4.3 59.8 32.5 5.4 319 323 A G T < 5S+ 0 0 14 -3,-1.2 2,-0.3 -4,-0.4 -3,-0.2 0.730 75.5 133.4 71.8 23.0 60.8 35.1 8.0 320 324 A A < - 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0 0 34 109,-2.8 -1,-0.1 36,-0.1 -2,-0.1 -0.961 21.8-124.2-108.7 114.1 43.0 34.1 36.4 331 335 A P - 0 0 40 0, 0.0 2,-0.2 0, 0.0 4,-0.1 -0.223 32.0-163.4 -51.7 143.6 45.0 34.9 39.6 332 336 A S - 0 0 55 2,-0.3 6,-0.1 1,-0.0 0, 0.0 -0.537 36.4 -98.0-117.3-173.3 43.0 34.5 42.8 333 337 A K S S+ 0 0 88 -2,-0.2 2,-1.2 1,-0.1 3,-0.1 0.617 98.9 95.6 -79.0 -15.6 43.3 35.6 46.5 334 338 A D > - 0 0 91 1,-0.2 4,-2.5 2,-0.1 -2,-0.3 -0.673 58.6-170.1 -78.1 96.7 44.8 32.1 47.3 335 339 A E H > S+ 0 0 65 -2,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.804 85.4 55.2 -60.4 -31.1 48.6 32.8 47.1 336 340 A E H > S+ 0 0 60 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.938 108.3 46.1 -67.8 -49.9 49.2 29.0 47.3 337 341 A H H > S+ 0 0 79 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.917 112.0 54.8 -53.5 -44.5 47.0 28.4 44.2 338 342 A N H X S+ 0 0 31 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.879 104.7 52.0 -59.4 -41.5 48.8 31.3 42.6 339 343 A N H X S+ 0 0 93 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.923 111.2 47.1 -60.5 -45.6 52.2 29.8 43.2 340 344 A Q H X S+ 0 0 141 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.907 113.3 49.2 -63.4 -40.5 51.1 26.5 41.6 341 345 A V H X S+ 0 0 12 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.945 110.8 48.8 -62.9 -48.7 49.6 28.4 38.6 342 346 A L H X S+ 0 0 42 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.867 109.3 53.6 -63.4 -35.2 52.8 30.5 38.1 343 347 A N H X S+ 0 0 86 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.893 110.6 46.8 -62.6 -40.0 54.9 27.3 38.2 344 348 A K H X S+ 0 0 97 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.946 112.3 49.7 -66.3 -49.4 52.8 25.8 35.5 345 349 A V H X S+ 0 0 1 -4,-2.9 4,-2.9 1,-0.2 5,-0.3 0.913 111.2 49.8 -54.4 -48.3 52.9 29.0 33.4 346 350 A K H X S+ 0 0 97 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.921 112.3 47.7 -56.5 -46.8 56.7 29.1 33.8 347 351 A A H X S+ 0 0 52 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.948 116.0 43.3 -61.9 -47.2 57.0 25.4 32.7 348 352 A D H X S+ 0 0 50 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.915 115.0 46.8 -68.2 -46.9 54.7 25.8 29.7 349 353 A K H X S+ 0 0 4 -4,-2.9 4,-3.1 -5,-0.2 5,-0.2 0.884 110.1 55.1 -62.8 -37.8 56.2 29.1 28.4 350 354 A S H X S+ 0 0 40 -4,-2.2 4,-2.9 -5,-0.3 -2,-0.2 0.908 105.9 52.5 -60.3 -42.0 59.7 27.8 28.8 351 355 A L H X S+ 0 0 98 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.924 112.5 45.0 -56.9 -47.9 58.8 24.8 26.6 352 356 A E H X>S+ 0 0 29 -4,-1.8 5,-2.1 2,-0.2 4,-0.8 0.937 114.1 47.1 -63.7 -51.0 57.5 27.2 23.9 353 357 A A H ><5S+ 0 0 1 -4,-3.1 3,-1.3 1,-0.2 -2,-0.2 0.935 111.4 51.7 -57.4 -44.2 60.5 29.5 24.1 354 358 A N H 3<5S+ 0 0 118 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.767 105.6 56.5 -64.4 -27.3 62.9 26.6 24.0 355 359 A N H 3<5S- 0 0 36 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.618 126.2 -99.4 -76.7 -16.7 61.2 25.3 20.9 356 360 A G T <<5 + 0 0 1 -3,-1.3 -3,-0.2 -4,-0.8 32,-0.2 0.479 64.7 158.0 111.1 3.8 61.8 28.6 19.1 357 361 A H < - 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0 0 30 -4,-1.9 4,-2.2 -5,-0.3 5,-0.2 0.031 29.9 -75.9 87.8 159.2 24.2 29.2 44.8 492 496 A E H > S+ 0 0 85 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.837 125.1 51.6 -63.3 -41.1 20.4 29.6 44.4 493 497 A E H > S+ 0 0 148 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.984 113.6 41.0 -58.6 -64.4 20.4 33.3 43.6 494 498 A R H 4 S+ 0 0 105 -4,-0.4 4,-0.4 1,-0.2 -2,-0.2 0.871 117.0 50.4 -51.5 -44.8 23.0 33.3 40.8 495 499 A F H >< S+ 0 0 53 -4,-2.2 3,-0.7 -8,-0.2 5,-0.5 0.903 113.4 44.8 -63.8 -42.2 21.6 30.1 39.3 496 500 A S H 3< S+ 0 0 92 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.814 111.8 52.5 -71.5 -31.1 18.0 31.5 39.3 497 501 A Q T 3< S+ 0 0 151 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.504 104.8 78.8 -80.1 -3.6 19.2 34.8 37.9 498 502 A G S < S- 0 0 16 -3,-0.7 3,-0.2 -4,-0.4 -3,-0.1 -0.177 84.7-116.8 -99.1-173.6 20.9 32.9 35.0 499 503 A R > + 0 0 90 1,-0.1 4,-2.0 -73,-0.1 5,-0.1 -0.267 61.6 134.0-118.9 44.9 20.0 31.2 31.8 500 504 A F H > + 0 0 4 -5,-0.5 4,-2.3 2,-0.2 5,-0.2 0.810 67.6 53.6 -70.6 -32.3 21.1 27.7 32.7 501 505 A D H > S+ 0 0 108 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.934 111.9 45.8 -67.1 -43.5 18.0 25.9 31.4 502 506 A D H > S+ 0 0 54 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.874 113.4 51.0 -64.2 -38.1 18.4 27.5 28.0 503 507 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.889 108.3 50.4 -65.4 -43.1 22.1 26.7 28.0 504 508 A A H X S+ 0 0 15 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.861 109.4 53.0 -63.2 -37.3 21.5 23.0 28.9 505 509 A R H X S+ 0 0 153 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.923 110.0 45.9 -65.1 -45.7 19.0 22.8 26.0 506 510 A L H X S+ 0 0 4 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.923 112.2 52.7 -63.0 -44.1 21.5 24.2 23.5 507 511 A M H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 5,-0.3 0.931 111.2 45.9 -53.8 -48.8 24.2 21.8 24.9 508 512 A E H X S+ 0 0 51 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.939 111.9 52.7 -61.8 -43.4 22.0 18.8 24.5 509 513 A Q H X S+ 0 0 87 -4,-2.4 4,-0.6 1,-0.2 -2,-0.2 0.919 114.5 39.9 -58.5 -47.9 21.0 20.0 21.0 510 514 A I H < S+ 0 0 4 -4,-2.7 7,-0.4 1,-0.2 -1,-0.2 0.687 120.9 43.8 -78.5 -18.5 24.6 20.3 19.8 511 515 A T H < S+ 0 0 1 -4,-1.7 -2,-0.2 -5,-0.2 -3,-0.2 0.838 114.7 43.0 -95.3 -37.7 25.9 17.2 21.5 512 516 A T H < S+ 0 0 11 -4,-2.7 -2,-0.1 -5,-0.3 -3,-0.1 0.392 82.8 114.7 -95.9 2.1 23.1 14.6 20.8 513 517 A S < - 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