==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 14-MAR-13 4JN7 . COMPND 2 MOLECULE: ENOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM RADIOBACTER; . AUTHOR M.W.VETTING,F.GRONINGER-POE,J.T.BOUVIER,D.WICHELECKI,L.L.MOR . 395 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16081.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 258 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 8.1 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 23 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 1 1 0 2 0 1 1 2 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 5 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 0 0 0 PARALLEL BRIDGES PER LADDER . 3 0 2 0 1 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 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 1 A M 0 0 69 0, 0.0 2,-0.4 0, 0.0 60,-0.2 0.000 360.0 360.0 360.0 165.1 21.4 -36.9 59.4 2 2 A K - 0 0 120 57,-0.2 24,-2.1 58,-0.1 2,-0.3 -0.972 360.0-111.5-128.5 140.8 20.7 -40.6 60.1 3 3 A I E +A 25 0A 1 55,-2.6 54,-2.7 -2,-0.4 22,-0.3 -0.522 42.1 165.3 -62.9 129.6 20.2 -43.6 58.0 4 4 A D E + 0 0 88 20,-2.8 2,-0.3 1,-0.3 21,-0.2 0.434 52.3 23.8-135.2 1.1 16.5 -44.5 58.3 5 5 A R E -A 24 0A 137 19,-1.3 19,-2.8 2,-0.0 2,-0.4 -0.963 49.9-157.0-161.3 150.2 15.6 -47.0 55.5 6 6 A M E -A 23 0A 30 -2,-0.3 2,-0.4 17,-0.2 17,-0.2 -0.993 10.2-167.8-123.4 137.1 17.1 -49.5 53.1 7 7 A R E -A 22 0A 51 15,-2.5 15,-2.9 -2,-0.4 2,-0.5 -0.993 5.3-162.0-123.7 130.9 15.4 -50.5 49.9 8 8 A V E -A 21 0A 47 -2,-0.4 2,-0.5 13,-0.2 13,-0.2 -0.957 1.8-162.8-119.0 127.4 16.7 -53.5 47.9 9 9 A F E -A 20 0A 36 11,-3.1 11,-2.5 -2,-0.5 2,-0.8 -0.950 8.3-155.8-114.1 121.9 15.8 -54.0 44.3 10 10 A M E +A 19 0A 47 -2,-0.5 367,-0.2 9,-0.2 9,-0.2 -0.868 42.6 134.9 -93.8 108.0 16.2 -57.4 42.6 11 11 A T E -A 18 0A 2 7,-3.1 7,-2.3 -2,-0.8 2,-0.3 -0.390 42.8-108.6-131.8-152.7 16.6 -56.6 38.9 12 12 A R E -A 17 0A 67 5,-0.3 2,-0.5 363,-0.3 329,-0.3 -0.985 5.8-146.0-150.4 160.8 18.9 -57.6 36.0 13 13 A D E > S-A 16 0A 3 3,-3.4 3,-1.7 -2,-0.3 2,-0.4 -0.876 76.5 -66.5-127.8 89.1 21.7 -56.5 33.7 14 14 A K T 3 S- 0 0 22 -2,-0.5 311,-0.1 325,-0.3 325,-0.0 -0.483 121.4 -6.6 59.2-112.2 20.8 -58.2 30.5 15 15 A D T 3 S+ 0 0 34 -2,-0.4 -1,-0.3 -3,-0.1 310,-0.0 0.373 124.5 75.9 -95.1 5.3 21.2 -62.0 31.2 16 16 A R E < S-A 13 0A 3 -3,-1.7 -3,-3.4 364,-0.1 363,-0.1 -0.930 81.7-119.6-115.8 138.3 22.6 -61.6 34.7 17 17 A P E -A 12 0A 0 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.306 28.7-161.8 -68.2 161.8 20.6 -60.8 37.8 18 18 A R E -A 11 0A 0 -7,-2.3 -7,-3.1 2,-0.0 2,-0.6 -0.941 12.9-150.6-152.2 124.7 21.6 -57.6 39.7 19 19 A V E -A 10 0A 0 16,-0.3 16,-2.5 -2,-0.3 2,-0.4 -0.870 16.7-169.5 -97.6 122.5 20.9 -56.4 43.2 20 20 A I E -AB 9 34A 0 -11,-2.5 -11,-3.1 -2,-0.6 2,-0.4 -0.925 6.1-157.1-114.1 136.4 20.7 -52.7 43.6 21 21 A V E -AB 8 33A 0 12,-2.6 12,-2.2 -2,-0.4 2,-0.4 -0.939 9.1-167.4-123.8 136.5 20.6 -51.0 47.0 22 22 A A E -AB 7 32A 0 -15,-2.9 -15,-2.5 -2,-0.4 2,-0.5 -0.976 4.1-163.1-116.9 137.1 19.3 -47.7 48.3 23 23 A L E -AB 6 31A 0 8,-2.5 8,-2.5 -2,-0.4 2,-0.3 -0.987 14.4-162.0-114.1 126.3 20.0 -46.2 51.7 24 24 A D E -AB 5 30A 8 -19,-2.8 -20,-2.8 -2,-0.5 -19,-1.3 -0.755 1.4-150.7-106.0 151.8 17.7 -43.4 52.7 25 25 A T E > -A 3 0A 6 4,-2.2 3,-1.6 -2,-0.3 -22,-0.2 -0.788 29.6-108.8-118.2 167.2 18.2 -40.7 55.4 26 26 A D T 3 S+ 0 0 87 -24,-2.1 -23,-0.1 1,-0.3 -1,-0.0 0.449 116.0 59.5 -75.3 0.1 15.9 -38.7 57.6 27 27 A D T 3 S- 0 0 79 -25,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.045 123.3 -99.8-114.0 24.9 16.8 -35.5 55.7 28 28 A G S < S+ 0 0 69 -3,-1.6 2,-0.2 1,-0.2 -2,-0.1 0.602 77.3 132.6 81.5 15.5 15.5 -37.0 52.5 29 29 A L - 0 0 43 2,-0.0 -4,-2.2 67,-0.0 2,-0.4 -0.633 35.8-159.6 -95.5 158.1 18.7 -38.1 50.7 30 30 A T E -B 24 0A 31 -2,-0.2 2,-0.4 -6,-0.2 -6,-0.2 -0.998 2.5-162.3-136.7 134.0 19.3 -41.5 49.1 31 31 A G E -B 23 0A 0 -8,-2.5 -8,-2.5 -2,-0.4 2,-0.3 -0.921 13.5-149.0-113.3 149.9 22.5 -43.2 48.2 32 32 A W E +B 22 0A 18 -2,-0.4 2,-0.3 59,-0.3 -10,-0.2 -0.864 15.1 176.7-123.5 147.3 22.8 -46.1 45.7 33 33 A G E -B 21 0A 0 -12,-2.2 -12,-2.6 -2,-0.3 2,-0.4 -0.972 19.2-138.1-147.8 159.8 25.0 -49.1 45.3 34 34 A E E -B 20 0A 0 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.977 14.3-144.9-125.0 124.9 25.4 -52.2 43.1 35 35 A C - 0 0 0 -16,-2.5 -16,-0.3 -2,-0.4 233,-0.1 -0.640 26.6-111.0 -81.6 141.4 26.2 -55.7 44.2 36 36 A Y - 0 0 17 231,-1.3 2,-1.1 -2,-0.3 3,-0.2 -0.402 29.0-120.7 -61.3 148.9 28.4 -58.0 42.2 37 37 A N + 0 0 0 1,-0.2 -1,-0.1 -19,-0.1 44,-0.0 -0.754 43.1 162.3 -94.2 87.4 26.6 -60.9 40.6 38 38 A H - 0 0 28 -2,-1.1 -1,-0.2 42,-0.1 43,-0.1 0.865 61.1 -96.4 -71.6 -36.0 28.3 -64.0 42.0 39 39 A G S S+ 0 0 12 -3,-0.2 2,-2.4 342,-0.1 341,-0.3 -0.441 108.3 63.4 158.2 -75.4 25.5 -66.3 41.2 40 40 A P > + 0 0 75 0, 0.0 3,-2.4 0, 0.0 4,-0.2 -0.392 58.6 164.6 -78.5 66.1 22.9 -67.1 43.9 41 41 A D G > + 0 0 0 -2,-2.4 3,-1.8 1,-0.3 338,-0.0 0.695 60.4 76.9 -70.7 -13.7 21.8 -63.5 44.1 42 42 A K G 3 S+ 0 0 137 1,-0.3 -1,-0.3 -3,-0.2 -32,-0.0 0.674 87.6 65.7 -63.2 -13.2 18.6 -64.3 46.1 43 43 A A G <> S+ 0 0 34 -3,-2.4 4,-1.4 1,-0.2 -1,-0.3 0.692 86.6 72.2 -76.5 -19.9 21.1 -64.7 49.0 44 44 A L H <> S+ 0 0 0 -3,-1.8 4,-3.0 -4,-0.2 5,-0.2 0.925 87.6 56.4 -69.4 -44.6 21.9 -61.0 48.9 45 45 A P H > S+ 0 0 33 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.924 109.1 46.5 -56.8 -44.1 18.7 -59.5 50.3 46 46 A P H > S+ 0 0 76 0, 0.0 4,-1.6 0, 0.0 -2,-0.2 0.857 112.9 50.3 -66.9 -30.8 18.9 -61.5 53.5 47 47 A I H X S+ 0 0 44 -4,-1.4 4,-2.7 2,-0.2 5,-0.2 0.954 112.0 47.9 -63.4 -48.3 22.6 -60.6 53.9 48 48 A L H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.889 107.7 55.3 -58.8 -41.8 21.7 -56.9 53.4 49 49 A D H X S+ 0 0 104 -4,-2.7 4,-0.7 -5,-0.2 -1,-0.2 0.896 111.2 45.1 -57.2 -43.4 18.8 -57.2 55.9 50 50 A Y H >< S+ 0 0 164 -4,-1.6 3,-0.9 1,-0.2 4,-0.4 0.937 113.7 48.0 -67.7 -46.9 21.3 -58.5 58.5 51 51 A L H >< S+ 0 0 7 -4,-2.7 3,-2.0 1,-0.2 4,-0.4 0.859 101.1 65.9 -63.9 -34.1 24.0 -55.9 57.7 52 52 A Y H >X S+ 0 0 43 -4,-2.5 4,-2.3 1,-0.3 3,-1.6 0.805 85.6 71.9 -60.1 -29.6 21.4 -53.1 57.8 53 53 A G T << S+ 0 0 50 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.784 99.0 48.4 -54.2 -27.5 20.9 -53.7 61.6 54 54 A F T <4 S+ 0 0 43 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.547 115.2 44.1 -90.6 -8.5 24.4 -52.2 62.0 55 55 A L T X4 S+ 0 0 0 -3,-1.6 3,-2.3 -4,-0.4 -52,-0.3 0.684 80.6 111.4-105.7 -28.6 23.6 -49.1 59.9 56 56 A S T 3< S+ 0 0 54 -4,-2.3 -52,-0.2 1,-0.3 3,-0.1 -0.276 91.0 8.3 -56.7 130.9 20.2 -48.1 61.0 57 57 A G T 3 S+ 0 0 36 -54,-2.7 -1,-0.3 1,-0.3 2,-0.1 0.423 102.4 127.9 80.2 1.4 20.2 -44.8 62.9 58 58 A Q < - 0 0 68 -3,-2.3 -55,-2.6 -55,-0.1 -1,-0.3 -0.455 69.4-103.4 -93.3 162.5 23.9 -44.1 62.1 59 59 A D > - 0 0 61 -57,-0.2 3,-2.0 1,-0.1 -57,-0.2 -0.742 26.9-155.6 -82.1 109.8 25.6 -41.1 60.5 60 60 A P T 3 S+ 0 0 0 0, 0.0 37,-0.3 0, 0.0 -1,-0.1 0.639 86.7 72.3 -67.9 -13.0 26.3 -42.1 56.9 61 61 A T T 3 S+ 0 0 68 -60,-0.2 2,-1.1 1,-0.2 3,-0.2 0.527 78.6 79.0 -77.7 -5.0 29.2 -39.6 56.7 62 62 A R <> + 0 0 120 -3,-2.0 4,-2.2 1,-0.2 5,-0.2 -0.582 64.8 160.3 -92.7 66.9 31.2 -41.9 58.9 63 63 A I H > + 0 0 18 -2,-1.1 4,-2.7 1,-0.2 5,-0.2 0.956 66.5 36.7 -64.3 -58.9 31.9 -44.1 55.9 64 64 A D H > S+ 0 0 64 1,-0.2 4,-2.5 -3,-0.2 5,-0.3 0.846 113.6 59.8 -65.8 -31.5 34.9 -46.1 56.9 65 65 A Y H > S+ 0 0 114 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.939 112.9 37.5 -56.5 -48.1 33.6 -46.4 60.5 66 66 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.895 115.7 50.9 -76.4 -41.2 30.5 -48.1 59.3 67 67 A V H X S+ 0 0 2 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.949 111.6 48.8 -64.3 -43.5 32.0 -50.2 56.6 68 68 A N H X S+ 0 0 59 -4,-2.5 4,-2.9 -5,-0.2 -1,-0.2 0.884 106.9 56.6 -62.3 -37.2 34.7 -51.5 59.0 69 69 A L H X S+ 0 0 53 -4,-1.4 4,-2.7 -5,-0.3 -1,-0.2 0.927 106.3 50.3 -58.3 -44.0 31.9 -52.3 61.5 70 70 A L H X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.918 112.2 47.4 -59.1 -42.3 30.3 -54.5 58.8 71 71 A I H X S+ 0 0 35 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.921 114.1 46.1 -62.8 -45.9 33.6 -56.2 58.3 72 72 A Q H < S+ 0 0 111 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.851 106.1 57.4 -72.6 -33.1 34.2 -56.7 62.0 73 73 A Q H < S+ 0 0 87 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.882 109.2 48.5 -58.8 -36.9 30.7 -58.0 62.7 74 74 A S H < S+ 0 0 42 -4,-1.3 2,-2.7 -5,-0.2 -2,-0.2 0.891 83.2 179.1 -69.7 -41.3 31.4 -60.7 60.1 75 75 A R < + 0 0 199 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.1 -0.299 57.8 79.7 71.5 -57.6 34.8 -61.4 61.8 76 76 A F S S- 0 0 151 -2,-2.7 -2,-0.0 -3,-0.1 3,-0.0 -0.581 108.0 -95.1 -67.1 141.0 35.6 -64.1 59.3 77 77 A P - 0 0 107 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.423 41.9-140.9 -57.1 126.5 36.9 -62.6 56.1 78 78 A P > - 0 0 40 0, 0.0 4,-0.6 0, 0.0 3,-0.3 0.843 26.4-177.5 -71.5 -31.1 33.6 -62.5 54.1 79 79 A G H > - 0 0 18 1,-0.2 4,-2.7 2,-0.1 5,-0.3 -0.285 53.4 -7.3 58.9-152.9 34.6 -63.4 50.6 80 80 A A H > S+ 0 0 27 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.824 132.3 25.2 -56.2 -67.6 32.1 -63.5 47.8 81 81 A L H > S+ 0 0 52 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.943 123.4 48.6 -69.9 -45.7 28.6 -63.0 48.9 82 82 A G H X S+ 0 0 18 -4,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.913 114.6 45.5 -58.9 -45.6 29.2 -61.1 52.1 83 83 A L H X S+ 0 0 9 -4,-2.7 4,-2.5 2,-0.2 187,-0.3 0.778 107.1 58.5 -71.3 -27.3 31.6 -58.6 50.4 84 84 A S H X S+ 0 0 0 -4,-1.7 4,-1.8 -5,-0.3 -1,-0.2 0.937 110.3 43.8 -63.0 -46.4 29.3 -58.1 47.5 85 85 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.929 113.9 49.8 -63.2 -46.7 26.6 -56.9 49.9 86 86 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.900 106.3 58.3 -59.2 -39.8 29.1 -54.8 51.8 87 87 A S H X S+ 0 0 0 -4,-2.5 4,-2.5 180,-0.2 185,-0.2 0.936 105.9 47.0 -56.0 -48.9 30.3 -53.3 48.5 88 88 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.896 112.4 50.2 -62.9 -38.3 26.9 -52.0 47.7 89 89 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.908 108.3 52.5 -66.9 -41.1 26.4 -50.6 51.2 90 90 A D H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 5,-0.3 0.941 108.8 51.2 -54.1 -49.0 29.8 -48.8 50.9 91 91 A H H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -59,-0.3 0.935 107.8 52.3 -56.7 -46.3 28.7 -47.3 47.6 92 92 A C H X S+ 0 0 0 -4,-2.3 4,-2.6 -61,-0.2 -1,-0.2 0.879 108.9 50.4 -56.9 -40.4 25.5 -46.0 49.3 93 93 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.902 110.5 47.1 -68.2 -44.0 27.5 -44.4 52.0 94 94 A W H X S+ 0 0 32 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.920 113.8 49.9 -60.3 -43.0 29.9 -42.5 49.7 95 95 A D H X S+ 0 0 1 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.936 112.4 46.5 -63.5 -47.2 26.9 -41.4 47.6 96 96 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.911 113.3 49.2 -59.6 -44.2 25.0 -40.2 50.7 97 97 A S H X S+ 0 0 8 -4,-2.4 4,-1.7 -37,-0.3 -1,-0.2 0.898 112.1 47.8 -67.2 -39.2 28.0 -38.4 52.1 98 98 A A H <>S+ 0 0 0 -4,-2.4 5,-2.5 2,-0.2 4,-0.5 0.918 112.7 48.4 -67.0 -42.8 28.7 -36.7 48.8 99 99 A K H ><5S+ 0 0 55 -4,-2.5 3,-0.8 3,-0.2 -2,-0.2 0.894 109.0 54.2 -64.1 -37.6 25.1 -35.6 48.4 100 100 A A H 3<5S+ 0 0 44 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.874 115.3 39.4 -62.6 -37.2 25.1 -34.3 52.0 101 101 A A T 3<5S- 0 0 57 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.409 111.5-124.2 -91.4 0.5 28.2 -32.2 51.1 102 102 A N T < 5S+ 0 0 122 -3,-0.8 -3,-0.2 -4,-0.5 -4,-0.1 0.870 70.0 117.7 55.5 45.1 26.8 -31.3 47.7 103 103 A V S -c 362 0B 4 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.415 46.3-109.2 -62.1 149.8 30.7 -35.3 43.3 105 105 A V G > S+ 0 0 0 257,-1.7 3,-2.6 1,-0.3 4,-0.3 0.857 114.7 68.2 -53.8 -35.6 32.0 -38.4 45.0 106 106 A Y G > >S+ 0 0 16 1,-0.3 5,-2.1 256,-0.3 3,-1.5 0.789 88.5 65.5 -61.5 -22.4 35.5 -37.9 43.7 107 107 A K G < 5S+ 0 0 126 -3,-1.8 3,-0.4 1,-0.3 -1,-0.3 0.685 98.9 53.5 -71.6 -14.2 35.8 -34.8 45.9 108 108 A L G < 5S+ 0 0 59 -3,-2.6 -1,-0.3 -4,-0.4 -2,-0.2 0.410 103.9 58.5 -90.7 -1.5 35.6 -37.1 49.0 109 109 A L T < 5S- 0 0 7 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.041 134.7 -75.8-117.1 20.0 38.5 -39.2 47.6 110 110 A G T 5S- 0 0 73 -3,-0.4 -3,-0.2 200,-0.0 -2,-0.1 0.460 83.3 -82.2 94.8 4.7 41.1 -36.5 47.4 111 111 A G < - 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0 0 28 25,-0.5 26,-0.1 1,-0.3 -2,-0.1 0.732 51.3 -69.4 62.1 36.3 39.9 -66.4 32.2 192 192 A A T 3 S+ 0 0 5 25,-3.4 -1,-0.3 24,-0.3 27,-0.2 0.815 97.4 133.1 53.3 37.5 41.6 -68.5 34.9 193 193 A Q < + 0 0 19 -3,-1.3 2,-0.4 24,-0.2 201,-0.2 0.665 42.9 83.1 -86.9 -24.0 41.6 -71.4 32.5 194 194 A I - 0 0 6 24,-2.3 26,-0.5 1,-0.1 -4,-0.0 -0.718 52.0-170.1 -97.9 131.3 45.2 -72.6 32.9 195 195 A F + 0 0 130 -2,-0.4 25,-0.2 24,-0.2 -1,-0.1 0.890 66.6 63.3 -81.9 -43.0 46.3 -74.8 35.8 196 196 A E > - 0 0 94 1,-0.1 4,-2.2 23,-0.1 3,-0.4 -0.727 67.7-143.4 -99.4 128.6 50.1 -74.7 35.5 197 197 A P H > S+ 0 0 35 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.900 103.5 55.3 -49.5 -43.3 52.3 -71.6 35.9 198 198 A V H > S+ 0 0 78 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.902 107.4 49.4 -61.8 -38.9 54.7 -72.9 33.1 199 199 A A H > S+ 0 0 5 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.907 110.0 50.7 -66.3 -41.1 51.8 -73.2 30.6 200 200 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.878 110.4 50.5 -62.9 -36.3 50.6 -69.7 31.4 201 201 A R H X S+ 0 0 61 -4,-2.2 4,-2.6 -5,-0.2 34,-0.2 0.914 108.2 52.3 -67.8 -43.7 54.1 -68.4 30.9 202 202 A Q H X S+ 0 0 93 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.931 112.0 45.6 -58.5 -45.9 54.3 -70.2 27.5 203 203 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 3,-0.2 0.940 112.8 49.9 -64.5 -46.1 51.1 -68.6 26.3 204 204 A G H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.914 111.2 49.0 -58.7 -42.0 52.0 -65.1 27.5 205 205 A N H < S+ 0 0 45 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.798 108.3 54.2 -72.7 -23.9 55.4 -65.3 25.8 206 206 A A H < S+ 0 0 26 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.827 114.5 41.2 -74.2 -32.6 53.7 -66.4 22.6 207 207 A L H >< S+ 0 0 0 -4,-1.9 3,-2.0 1,-0.2 -2,-0.2 0.780 96.5 84.0 -78.8 -29.5 51.4 -63.4 22.7 208 208 A A G >< S+ 0 0 20 -4,-2.0 3,-2.1 1,-0.3 -1,-0.2 0.774 77.1 62.3 -51.9 -40.6 54.1 -61.0 23.8 209 209 A P G 3 S+ 0 0 101 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.718 102.7 53.9 -62.4 -18.2 55.7 -60.1 20.4 210 210 A Y G < S- 0 0 63 -3,-2.0 -2,-0.2 -4,-0.1 -3,-0.1 0.289 114.6-115.0-100.1 9.3 52.4 -58.6 19.3 211 211 A D < - 0 0 112 -3,-2.1 -25,-0.5 -4,-0.2 2,-0.2 0.974 28.5-155.2 64.1 64.2 52.1 -56.3 22.3 212 212 A P - 0 0 4 0, 0.0 25,-0.4 0, 0.0 -25,-0.3 -0.531 19.0-132.6 -63.7 136.9 49.0 -57.3 24.3 213 213 A L S S- 0 0 42 -27,-2.4 2,-0.3 1,-0.3 -26,-0.2 0.918 86.3 -25.6 -56.0 -44.5 47.8 -54.4 26.3 214 214 A F - 0 0 1 -28,-0.3 -26,-2.2 25,-0.0 2,-0.6 -0.943 57.1-128.6-159.6 162.9 47.7 -56.9 29.2 215 215 A Y E -ij 188 238D 0 22,-2.0 24,-2.7 -2,-0.3 2,-0.4 -0.978 39.7-147.6-115.2 108.9 47.4 -60.6 29.6 216 216 A E E -ij 189 239D 0 -28,-3.1 -26,-2.4 -2,-0.6 -25,-0.5 -0.698 46.5 -32.3-100.0 133.8 44.6 -61.1 32.2 217 217 A E + 0 0 6 22,-2.6 -25,-3.4 -2,-0.4 -24,-0.2 0.771 62.0 164.6 41.3 57.3 44.1 -63.8 34.8 218 218 A P + 0 0 0 0, 0.0 -24,-2.3 0, 0.0 -25,-0.2 0.878 59.8 44.9 -70.6 -35.8 45.6 -66.8 33.2 219 219 A L S S- 0 0 0 -26,-0.2 -24,-0.2 -27,-0.2 -27,-0.1 -0.464 95.2 -86.1-100.7 173.7 45.8 -69.0 36.4 220 220 A R - 0 0 70 -26,-0.5 -1,-0.2 -25,-0.2 3,-0.1 -0.324 34.9-128.8 -74.3 162.4 43.5 -69.7 39.3 221 221 A P S S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.712 84.7 80.8 -91.7 -19.9 43.4 -67.3 42.3 222 222 A E S S+ 0 0 137 1,-0.1 2,-0.9 2,-0.1 -2,-0.0 0.813 87.4 55.8 -68.5 -38.9 43.9 -69.5 45.4 223 223 A N + 0 0 83 1,-0.2 4,-0.3 -3,-0.1 -1,-0.1 -0.861 63.8 175.9 -92.3 106.5 47.7 -69.9 45.3 224 224 A I S >> S+ 0 0 23 -2,-0.9 3,-1.5 1,-0.2 4,-0.6 0.870 71.6 62.3 -78.1 -37.3 48.9 -66.3 45.2 225 225 A D H >> S+ 0 0 75 1,-0.3 3,-1.2 2,-0.2 4,-1.0 0.838 91.3 64.9 -62.0 -33.8 52.6 -67.2 45.4 226 226 A M H 3> S+ 0 0 28 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.759 89.9 68.8 -63.9 -21.4 52.7 -69.1 42.1 227 227 A W H <> S+ 0 0 5 -3,-1.5 4,-2.2 -4,-0.3 -1,-0.3 0.870 96.0 53.2 -64.7 -35.9 51.8 -65.8 40.4 228 228 A G H < S+ 0 0 88 -4,-1.0 3,-0.5 2,-0.2 -2,-0.2 0.937 109.8 51.1 -66.7 -47.9 56.7 -67.7 39.6 230 230 A L H 3< S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.925 108.2 52.1 -50.3 -49.2 54.7 -67.2 36.5 231 231 A K H >< S+ 0 0 48 -4,-2.2 3,-2.0 -5,-0.1 2,-0.6 0.733 84.8 96.1 -71.6 -22.4 55.8 -63.6 36.1 232 232 A Q T << S+ 0 0 142 -4,-1.1 3,-0.1 -3,-0.5 -31,-0.0 -0.583 103.1 8.5 -67.3 116.2 59.5 -64.5 36.3 233 233 A G T 3 S+ 0 0 54 -2,-0.6 2,-0.5 1,-0.3 -1,-0.3 0.585 95.6 137.6 85.2 10.8 60.6 -64.8 32.7 234 234 A L < - 0 0 20 -3,-2.0 -1,-0.3 1,-0.1 4,-0.1 -0.812 37.9-164.3 -91.5 129.6 57.3 -63.4 31.4 235 235 A N + 0 0 125 -2,-0.5 2,-0.3 -34,-0.2 -1,-0.1 0.447 63.6 62.8 -95.5 -5.7 57.8 -60.9 28.5 236 236 A C S S- 0 0 14 -25,-0.0 2,-0.3 -5,-0.0 -23,-0.1 -0.783 96.4 -82.7-115.1 164.9 54.3 -59.3 28.4 237 237 A V - 0 0 62 -25,-0.4 -22,-2.0 -2,-0.3 2,-0.5 -0.508 44.7-150.8 -66.3 125.9 52.3 -57.2 30.9 238 238 A L E -j 215 0D 0 -2,-0.3 22,-2.8 -24,-0.2 23,-1.5 -0.884 15.0-176.6-104.7 129.8 50.5 -59.5 33.4 239 239 A A E +jk 216 261D 0 -24,-2.7 -22,-2.6 -2,-0.5 2,-0.3 -0.966 15.3 138.0-124.4 140.9 47.2 -58.5 35.0 240 240 A T E + k 0 262D 6 21,-1.5 23,-1.9 -2,-0.4 -24,-0.0 -0.970 18.1 103.1-159.8 174.4 45.1 -60.2 37.6 241 241 A G > + 0 0 2 -2,-0.3 3,-2.1 21,-0.2 24,-0.3 0.294 41.2 115.7 134.5 -6.7 43.1 -59.6 40.7 242 242 A E T 3 S+ 0 0 24 1,-0.3 23,-0.3 22,-0.2 20,-0.0 0.806 86.4 50.4 -57.3 -26.9 39.4 -59.7 40.0 243 243 A S T 3 S+ 0 0 37 21,-0.1 2,-0.3 26,-0.0 -1,-0.3 0.288 92.5 93.3 -96.9 7.8 39.1 -62.8 42.2 244 244 A L < - 0 0 10 -3,-2.1 21,-0.4 19,-0.1 24,-0.1 -0.803 56.2-163.4-104.4 147.5 41.0 -61.3 45.1 245 245 A Y + 0 0 55 -2,-0.3 2,-0.3 19,-0.1 -1,-0.1 0.676 49.7 17.2-107.5 -27.8 39.1 -59.6 48.0 246 246 A N S > S- 0 0 39 1,-0.0 4,-2.3 31,-0.0 3,-0.3 -0.894 78.5 -84.4-152.0 173.3 41.1 -57.4 50.2 247 247 A R H > S+ 0 0 75 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.797 121.0 50.6 -52.8 -34.7 44.1 -55.3 51.1 248 248 A N H > S+ 0 0 102 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.853 107.2 49.4 -81.5 -35.0 46.0 -58.4 52.3 249 249 A E H > S+ 0 0 62 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.931 116.2 45.6 -66.4 -42.1 45.4 -60.7 49.3 250 250 A F H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.900 108.0 57.4 -66.5 -38.5 46.6 -57.9 47.1 251 251 A L H X S+ 0 0 38 -4,-2.0 4,-2.8 -5,-0.3 -1,-0.2 0.934 108.3 46.6 -57.6 -45.3 49.6 -57.2 49.4 252 252 A R H X S+ 0 0 105 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.945 110.0 52.6 -65.1 -42.7 50.8 -60.7 49.0 253 253 A L H <>S+ 0 0 2 -4,-2.1 5,-2.8 1,-0.2 6,-0.3 0.913 113.7 44.5 -54.3 -43.9 50.3 -60.6 45.2 254 254 A L H ><5S+ 0 0 6 -4,-2.5 3,-1.5 3,-0.2 -1,-0.2 0.909 109.3 56.0 -67.7 -41.7 52.4 -57.4 45.2 255 255 A Q H 3<5S+ 0 0 82 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.849 110.4 44.4 -61.1 -37.4 55.0 -58.8 47.5 256 256 A V T 3<5S- 0 0 30 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.407 112.7-117.9 -87.2 2.8 55.7 -61.8 45.3 257 257 A K T < 5 + 0 0 141 -3,-1.5 -3,-0.2 -4,-0.2 -26,-0.1 0.952 60.5 154.5 57.5 52.1 55.7 -59.6 42.1 258 258 A G < + 0 0 0 -5,-2.8 2,-0.3 -6,-0.2 -4,-0.1 0.425 55.5 20.9 -93.4 -0.9 52.8 -61.5 40.8 259 259 A A - 0 0 6 -6,-0.3 -20,-0.2 -5,-0.1 -1,-0.1 -0.970 47.5-153.3-161.5 150.8 51.3 -58.9 38.5 260 260 A D S S+ 0 0 55 -22,-2.8 28,-1.1 1,-0.3 2,-0.3 0.627 95.8 24.6 -93.0 -21.9 52.2 -55.7 36.6 261 261 A L E S-kl 239 288D 17 -23,-1.5 -21,-1.5 26,-0.2 2,-0.3 -0.986 77.6-143.6-144.7 133.5 48.7 -54.4 36.7 262 262 A I E -kl 240 289D 0 26,-2.7 28,-2.9 -2,-0.3 -21,-0.2 -0.816 6.0-163.0-109.8 151.0 45.9 -55.3 39.3 263 263 A Q + 0 0 0 -23,-1.9 -22,-0.2 -2,-0.3 29,-0.1 -0.392 17.8 167.7-130.8 51.6 42.2 -55.6 38.6 264 264 A P - 0 0 1 0, 0.0 28,-2.0 0, 0.0 2,-0.5 -0.330 32.1-129.6 -59.6 155.2 40.2 -55.5 41.8 265 265 A D >> - 0 0 0 -21,-0.4 4,-2.2 -24,-0.3 3,-2.1 -0.945 1.7-145.6-112.2 126.3 36.4 -55.1 41.3 266 266 A I T 34>S+ 0 0 0 -2,-0.5 5,-0.6 26,-0.5 4,-0.1 0.599 102.6 51.3 -68.2 -13.3 34.7 -52.3 43.3 267 267 A C T 345S+ 0 0 0 3,-0.1 -231,-1.3 4,-0.1 -1,-0.3 0.404 115.9 41.8 -96.4 -3.2 31.6 -54.5 43.6 268 268 A V T <45S+ 0 0 4 -3,-2.1 -2,-0.2 -233,-0.1 -181,-0.1 0.724 107.6 52.3-110.0 -39.8 33.6 -57.5 45.0 269 269 A V T <5S- 0 0 2 -4,-2.2 -22,-0.1 -185,-0.1 -3,-0.1 0.491 123.4 -81.6 -87.8 -4.0 36.2 -56.1 47.4 270 270 A G T 5S- 0 0 3 -187,-0.3 3,-0.4 -5,-0.2 4,-0.3 0.639 72.5 -87.8 106.1 24.1 33.9 -54.1 49.7 271 271 A G S >> S+ 0 0 1 1,-0.2 4,-2.7 -185,-0.2 5,-0.3 0.850 127.3 68.8 -63.3 -33.8 35.7 -47.8 47.6 273 273 A S H 3> S+ 0 0 8 -3,-0.4 4,-0.5 1,-0.2 -1,-0.2 0.846 115.2 26.4 -51.9 -41.5 36.7 -48.3 51.2 274 274 A E H <> S+ 0 0 7 -3,-0.8 4,-2.6 -4,-0.3 -1,-0.2 0.804 115.4 62.7 -91.7 -38.0 38.8 -51.3 50.3 275 275 A M H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.889 103.8 50.2 -55.6 -41.5 39.5 -50.4 46.6 276 276 A R H X S+ 0 0 105 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.883 109.6 50.2 -67.5 -38.9 41.4 -47.3 47.8 277 277 A R H X S+ 0 0 77 -4,-0.5 4,-2.2 -5,-0.3 -2,-0.2 0.948 112.4 47.8 -60.8 -48.2 43.5 -49.3 50.2 278 278 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.919 112.3 48.6 -58.5 -45.7 44.3 -51.9 47.5 279 279 A A H X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.870 108.6 53.8 -66.6 -35.9 45.2 -49.1 45.0 280 280 A T H X S+ 0 0 72 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.897 108.8 49.1 -64.5 -42.7 47.5 -47.4 47.5 281 281 A L H X S+ 0 0 48 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.958 112.2 48.1 -59.0 -50.3 49.4 -50.6 48.1 282 282 A A H <>S+ 0 0 0 -4,-2.4 5,-2.4 1,-0.2 3,-0.3 0.908 107.0 57.4 -58.3 -41.1 49.8 -51.1 44.4 283 283 A E H ><5S+ 0 0 85 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.907 105.0 49.6 -58.3 -43.2 51.0 -47.5 43.9 284 284 A A H 3<5S+ 0 0 77 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.805 111.6 50.0 -67.3 -28.9 53.8 -47.9 46.4 285 285 A Y T 3<5S- 0 0 95 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.335 118.6-113.7 -87.0 5.1 54.8 -51.1 44.5 286 286 A F T < 5S+ 0 0 197 -3,-1.5 2,-0.4 -4,-0.2 -3,-0.2 0.899 71.1 138.7 59.8 44.2 54.7 -49.3 41.2 287 287 A V < - 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