==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 26-JAN-10 3LJX . COMPND 2 MOLECULE: MMOQ RESPONSE REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: METHYLOCOCCUS CAPSULATUS; . AUTHOR A.KUZIN,L.SCOTT,F.FOROUHAR,M.ABASHIDZE,J.SEETHARAMAN,M.MAO, . 252 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13038.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 7 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 52.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 0 0 2 3 3 2 2 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 19 A X 0 0 230 0, 0.0 2,-0.4 0, 0.0 12,-0.0 0.000 360.0 360.0 360.0 167.2 14.8 39.0 41.7 2 20 A D - 0 0 41 1,-0.1 2,-0.1 10,-0.0 9,-0.1 -0.719 360.0-117.9 -92.2 139.6 13.1 42.3 41.2 3 21 A R - 0 0 235 -2,-0.4 2,-0.7 1,-0.1 7,-0.4 -0.404 23.8-125.7 -64.2 148.2 13.3 45.2 43.7 4 22 A W - 0 0 56 5,-0.1 2,-0.7 144,-0.1 3,-0.1 -0.904 22.2-162.6 -98.4 108.2 10.1 46.2 45.3 5 23 A N - 0 0 91 -2,-0.7 -2,-0.0 3,-0.3 0, 0.0 -0.833 7.1-154.2 -92.9 115.4 9.7 50.0 44.8 6 24 A X S S+ 0 0 156 -2,-0.7 -1,-0.2 1,-0.2 167,-0.0 0.884 92.8 44.8 -62.6 -40.5 7.1 51.2 47.3 7 25 A H S S+ 0 0 172 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.902 134.0 16.2 -69.2 -41.9 6.0 54.2 45.2 8 26 A K S S- 0 0 116 2,-0.1 -3,-0.3 175,-0.0 -1,-0.3 -0.617 80.9-159.0-135.9 75.2 5.8 52.2 42.0 9 27 A P + 0 0 6 0, 0.0 2,-0.3 0, 0.0 -5,-0.1 -0.267 20.6 168.9 -55.4 135.5 5.8 48.4 42.7 10 28 A X + 0 0 39 -7,-0.4 2,-0.4 134,-0.1 -5,-0.1 -0.824 13.3 169.1-160.4 108.8 6.9 46.4 39.6 11 29 A L + 0 0 4 -2,-0.3 133,-0.1 1,-0.1 134,-0.0 -0.967 22.9 127.5-117.6 140.5 7.8 42.7 39.2 12 30 A C > + 0 0 2 -2,-0.4 3,-1.6 132,-0.0 40,-0.2 0.280 69.2 48.0-148.6 -61.4 8.3 41.1 35.8 13 31 A D T 3 S+ 0 0 72 1,-0.3 -2,-0.1 38,-0.1 39,-0.0 0.823 113.2 52.9 -57.8 -30.9 11.5 39.2 35.3 14 32 A S T 3 S+ 0 0 31 2,-0.0 -1,-0.3 34,-0.0 34,-0.1 0.484 76.7 115.7 -89.1 -5.1 11.1 37.4 38.6 15 33 A L < - 0 0 10 -3,-1.6 79,-0.1 33,-0.1 129,-0.1 -0.480 66.2-122.6 -68.4 133.4 7.6 36.1 38.2 16 34 A P - 0 0 2 0, 0.0 32,-0.4 0, 0.0 2,-0.3 -0.231 16.0-149.0 -75.6 164.3 7.6 32.2 38.1 17 35 A T - 0 0 2 31,-0.1 77,-0.1 30,-0.1 29,-0.1 -0.939 35.4 -91.9-123.2 149.6 6.4 29.8 35.5 18 36 A A > - 0 0 15 -2,-0.3 4,-3.3 1,-0.1 5,-0.3 -0.355 32.5-126.1 -60.3 139.7 5.0 26.3 36.1 19 37 A S H > S+ 0 0 67 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.916 109.4 45.8 -53.0 -49.2 7.7 23.6 36.1 20 38 A R H > S+ 0 0 207 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.893 115.4 46.4 -64.1 -42.5 5.9 21.5 33.5 21 39 A T H > S+ 0 0 25 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.921 112.8 49.4 -66.5 -44.8 5.1 24.5 31.3 22 40 A A H X S+ 0 0 3 -4,-3.3 4,-3.2 2,-0.2 5,-0.3 0.960 109.0 53.2 -58.3 -49.5 8.7 25.8 31.5 23 41 A A H X S+ 0 0 62 -4,-2.8 4,-2.5 -5,-0.3 -1,-0.2 0.918 112.6 44.4 -51.9 -46.8 10.0 22.3 30.6 24 42 A A H X S+ 0 0 40 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.837 112.7 50.6 -69.2 -35.0 7.8 22.2 27.5 25 43 A I H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.952 112.7 46.8 -67.1 -47.2 8.6 25.8 26.5 26 44 A L H X S+ 0 0 29 -4,-3.2 4,-2.2 2,-0.2 -2,-0.2 0.912 109.9 54.1 -59.2 -44.8 12.4 25.1 26.8 27 45 A N H < S+ 0 0 104 -4,-2.5 4,-0.3 -5,-0.3 -1,-0.2 0.943 114.2 40.7 -53.9 -51.4 12.0 21.9 24.8 28 46 A L H >< S+ 0 0 19 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.889 112.3 55.2 -64.7 -41.8 10.3 23.7 22.0 29 47 A A H 3< S+ 0 0 3 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.831 110.9 45.8 -63.7 -30.8 12.7 26.7 22.2 30 48 A Q T 3< S+ 0 0 122 -4,-2.2 -1,-0.3 -5,-0.2 2,-0.3 0.448 86.9 115.9 -89.6 -2.5 15.6 24.3 21.8 31 49 A R S X S- 0 0 109 -3,-1.2 3,-0.6 -4,-0.3 -3,-0.0 -0.527 71.1-130.9 -72.6 132.8 14.0 22.5 19.0 32 50 A E T 3 S+ 0 0 166 -2,-0.3 2,-0.6 1,-0.3 -1,-0.1 0.918 96.0 25.2 -46.8 -55.7 15.9 22.9 15.7 33 51 A D T 3 S+ 0 0 134 -3,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.750 76.0 155.4-123.4 85.3 12.9 23.9 13.6 34 52 A V < - 0 0 12 -2,-0.6 2,-0.1 -3,-0.6 -6,-0.0 -0.876 36.1-125.3-108.1 141.4 10.0 25.4 15.6 35 53 A T > - 0 0 76 -2,-0.4 4,-1.8 1,-0.1 5,-0.2 -0.413 18.1-121.5 -78.3 156.8 7.4 27.8 14.0 36 54 A A H > S+ 0 0 17 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.927 115.3 52.9 -54.8 -45.3 6.6 31.2 15.4 37 55 A E H > S+ 0 0 115 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.892 108.0 45.9 -62.8 -47.0 3.0 29.9 15.7 38 56 A A H > S+ 0 0 37 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.889 114.9 48.7 -66.4 -38.4 3.8 26.8 17.8 39 57 A L H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 5,-0.2 0.932 112.6 47.1 -67.6 -46.8 6.1 28.7 20.1 40 58 A A H X S+ 0 0 4 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.921 109.3 54.1 -58.2 -47.4 3.6 31.5 20.6 41 59 A Q H < S+ 0 0 131 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.898 115.6 40.2 -55.3 -41.3 0.8 29.1 21.3 42 60 A L H >< S+ 0 0 44 -4,-1.6 3,-1.5 -5,-0.2 -2,-0.2 0.917 114.9 49.9 -76.3 -43.6 2.9 27.4 24.0 43 61 A I H >< S+ 0 0 0 -4,-3.0 3,-2.3 1,-0.3 7,-0.3 0.862 100.9 64.1 -65.6 -35.0 4.4 30.6 25.5 44 62 A Q T 3< S+ 0 0 18 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.427 86.4 71.9 -78.2 6.9 1.0 32.3 25.8 45 63 A T T < S+ 0 0 39 -3,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.521 90.8 72.9 -85.6 -7.6 -0.1 29.6 28.3 46 64 A D <> - 0 0 2 -3,-2.3 4,-2.2 -4,-0.2 5,-0.2 -0.914 63.7-163.9-115.4 113.6 2.3 31.2 30.8 47 65 A P H > S+ 0 0 1 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.908 89.5 51.9 -57.5 -46.0 1.4 34.6 32.3 48 66 A A H > S+ 0 0 4 -32,-0.4 4,-2.1 1,-0.2 5,-0.2 0.967 114.9 38.1 -57.4 -58.8 5.0 35.4 33.5 49 67 A L H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.863 115.1 55.7 -65.6 -34.4 6.8 34.8 30.2 50 68 A T H X S+ 0 0 0 -4,-2.2 4,-2.4 -7,-0.3 -1,-0.2 0.920 108.0 48.2 -62.3 -45.9 4.0 36.4 28.2 51 69 A G H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.935 110.2 51.0 -56.2 -51.0 4.3 39.6 30.3 52 70 A R H X S+ 0 0 56 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.904 111.8 48.4 -55.5 -45.5 8.1 39.8 29.9 53 71 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.931 112.3 46.7 -63.5 -46.8 7.7 39.4 26.2 54 72 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 13,-0.2 0.911 113.3 50.8 -60.8 -41.2 5.0 42.1 25.8 55 73 A R H X S+ 0 0 85 -4,-2.8 4,-0.8 2,-0.2 -1,-0.2 0.895 111.5 46.4 -66.2 -40.9 7.0 44.4 28.0 56 74 A F H >< S+ 0 0 93 -4,-2.4 3,-0.9 -5,-0.2 -2,-0.2 0.954 114.9 47.2 -62.8 -48.1 10.1 43.9 26.0 57 75 A A H 3< S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.732 116.6 43.9 -69.3 -24.6 8.2 44.4 22.7 58 76 A N H 3< S+ 0 0 27 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.445 84.6 124.1-100.6 -3.0 6.4 47.5 24.0 59 77 A A S << S- 0 0 36 -3,-0.9 2,-1.0 -4,-0.8 -3,-0.1 -0.250 82.8 -82.1 -58.7 146.1 9.5 49.1 25.6 60 78 A P 0 0 130 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.292 360.0 360.0 -56.6 90.5 10.3 52.7 24.5 61 79 A A 0 0 118 -2,-1.0 -2,-0.1 -4,-0.1 0, 0.0 -0.147 360.0 360.0 50.1 360.0 12.2 52.0 21.2 62 ! 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 63 82 A T 0 0 63 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 51.9 8.3 50.7 19.1 64 83 A R - 0 0 219 -6,-0.1 -3,-0.1 2,-0.0 12,-0.0 -0.534 360.0 -7.4 -93.3 -64.4 6.4 51.4 17.1 65 84 A R S S- 0 0 184 -2,-0.2 2,-0.0 1,-0.1 0, 0.0 -0.627 81.8-104.4 -83.1 149.5 2.8 50.5 18.0 66 85 A P - 0 0 64 0, 0.0 2,-0.3 0, 0.0 -8,-0.1 -0.304 30.3-142.5 -71.9 158.3 2.3 48.3 21.0 67 86 A V - 0 0 19 -13,-0.2 3,-0.1 1,-0.0 -9,-0.1 -0.837 14.9-169.7-118.2 160.5 1.5 44.6 20.8 68 87 A A + 0 0 9 -2,-0.3 65,-0.3 1,-0.1 2,-0.3 -0.039 66.6 56.1-143.3 27.6 -0.9 42.4 23.0 69 88 A S S > S- 0 0 0 1,-0.1 4,-2.5 64,-0.1 5,-0.2 -0.967 77.0-122.1-155.0 151.3 -0.1 38.9 21.9 70 89 A V H > S+ 0 0 0 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.921 114.4 53.5 -57.8 -41.5 3.0 36.7 21.8 71 90 A I H > S+ 0 0 34 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.904 109.8 47.3 -65.0 -38.1 2.5 36.1 18.0 72 91 A D H > S+ 0 0 26 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.882 109.7 53.5 -68.0 -36.7 2.3 39.9 17.4 73 92 A A H X>S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 5,-0.6 0.940 108.5 50.6 -60.4 -44.4 5.4 40.4 19.5 74 93 A I H X5S+ 0 0 7 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.948 109.6 49.1 -58.5 -50.8 7.2 37.8 17.4 75 94 A D H <5S+ 0 0 109 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.854 117.7 44.2 -54.7 -36.3 6.2 39.6 14.1 76 95 A L H <5S+ 0 0 70 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.966 128.9 18.2 -78.7 -54.5 7.4 42.8 15.6 77 96 A V H <5S- 0 0 48 -4,-3.2 4,-0.3 1,-0.2 -3,-0.2 0.612 112.7-102.9 -98.7 -13.1 10.8 42.1 17.2 78 97 A G X< - 0 0 24 -4,-2.4 4,-1.8 -5,-0.6 5,-0.2 0.026 23.0 -94.1 106.5 147.0 11.6 38.8 15.5 79 98 A L H > S+ 0 0 39 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.863 119.3 59.4 -60.0 -39.9 11.5 35.1 16.4 80 99 A P H > S+ 0 0 87 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.937 106.9 45.8 -58.3 -45.6 15.1 35.0 17.6 81 100 A A H > S+ 0 0 28 -4,-0.3 4,-1.2 1,-0.2 -2,-0.2 0.939 114.7 46.9 -62.9 -45.1 14.6 37.7 20.2 82 101 A V H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 3,-0.4 0.898 108.3 57.2 -64.2 -37.1 11.4 36.1 21.5 83 102 A R H X S+ 0 0 58 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.899 99.1 59.7 -59.6 -41.1 13.3 32.8 21.5 84 103 A Q H X S+ 0 0 128 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.884 105.0 48.9 -52.2 -42.3 15.9 34.3 23.8 85 104 A F H < S+ 0 0 33 -4,-1.2 4,-0.4 -3,-0.4 3,-0.3 0.909 111.4 49.9 -67.3 -40.4 13.2 35.0 26.4 86 105 A A H >< S+ 0 0 0 -4,-1.9 3,-1.1 1,-0.2 4,-0.2 0.906 110.8 48.3 -61.9 -43.0 11.9 31.4 26.1 87 106 A L H >< S+ 0 0 45 -4,-3.0 3,-1.3 1,-0.2 4,-0.3 0.683 95.9 75.9 -71.0 -16.8 15.4 30.0 26.6 88 107 A S G >< S+ 0 0 24 -4,-0.9 3,-1.6 -5,-0.3 -1,-0.2 0.748 74.6 76.6 -70.6 -19.6 15.9 32.2 29.6 89 108 A L G < S+ 0 0 22 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.817 73.6 82.1 -59.0 -28.8 13.6 29.9 31.6 90 109 A S G < 0 0 79 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.881 360.0 360.0 -35.5 -48.7 16.7 27.6 31.8 91 110 A L < 0 0 187 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.392 360.0 360.0 -59.5 360.0 17.8 29.9 34.6 92 ! 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 93 115 A R > 0 0 115 0, 0.0 3,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -66.7 10.4 29.7 41.9 94 116 A E T 3 - 0 0 63 1,-0.3 -75,-0.2 -77,-0.1 9,-0.1 -0.370 360.0 -5.5-110.8 56.0 6.9 28.2 41.5 95 117 A G T 3 + 0 0 34 -2,-0.4 -1,-0.3 7,-0.1 7,-0.1 0.577 46.9 154.2-169.6 178.6 6.8 29.1 44.2 96 118 A R S < S+ 0 0 177 -3,-0.6 2,-1.1 1,-0.1 51,-0.1 0.769 70.7 94.6 -72.8 -29.2 7.8 30.5 47.5 97 119 A C > - 0 0 1 1,-0.2 3,-1.5 49,-0.1 5,-0.2 -0.506 61.2-161.5 -71.9 99.2 4.4 31.9 48.8 98 120 A E T 3 S+ 0 0 141 -2,-1.1 -1,-0.2 1,-0.3 53,-0.1 0.857 84.0 43.0 -49.6 -50.4 3.3 28.9 50.9 99 121 A A T 3 S+ 0 0 37 51,-0.3 2,-0.5 2,-0.1 -1,-0.3 0.572 91.3 100.7 -79.1 -8.8 -0.4 29.8 51.1 100 122 A F S < S- 0 0 22 -3,-1.5 2,-1.5 50,-0.1 3,-0.2 -0.659 70.5-137.2 -83.9 126.8 -0.8 30.7 47.4 101 123 A D > + 0 0 104 -2,-0.5 4,-2.5 1,-0.2 5,-0.1 -0.614 28.4 174.5 -83.1 87.8 -2.4 28.1 45.2 102 124 A Y H > S+ 0 0 16 -2,-1.5 4,-2.9 1,-0.2 5,-0.3 0.907 76.5 51.6 -65.0 -44.4 -0.1 28.4 42.2 103 125 A A H > S+ 0 0 70 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.934 112.6 47.7 -57.8 -43.1 -1.5 25.4 40.2 104 126 A A H > S+ 0 0 25 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.927 111.0 51.2 -64.5 -43.1 -5.0 26.9 40.7 105 127 A Y H X S+ 0 0 12 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.936 113.9 43.1 -59.8 -45.9 -3.8 30.3 39.6 106 128 A W H X S+ 0 0 25 -4,-2.9 4,-1.8 2,-0.2 5,-0.2 0.891 114.6 49.8 -70.7 -37.0 -2.2 29.0 36.4 107 129 A Q H X S+ 0 0 121 -4,-2.7 4,-2.3 -5,-0.3 -2,-0.2 0.952 114.4 44.1 -65.2 -47.0 -5.1 26.7 35.6 108 130 A K H X S+ 0 0 57 -4,-2.9 4,-2.6 -5,-0.2 5,-0.2 0.874 109.6 56.2 -66.9 -37.2 -7.7 29.5 36.1 109 131 A S H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.925 112.2 41.5 -63.9 -44.0 -5.6 32.1 34.2 110 132 A L H X S+ 0 0 59 -4,-1.8 4,-3.1 2,-0.2 5,-0.2 0.928 113.3 52.4 -67.3 -46.6 -5.4 29.9 31.0 111 133 A A H X S+ 0 0 18 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.915 112.4 46.8 -58.7 -42.9 -9.1 28.8 31.3 112 134 A R H X S+ 0 0 3 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.921 110.8 51.1 -64.5 -45.3 -10.1 32.4 31.5 113 135 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 22,-0.3 -2,-0.2 0.939 112.9 47.0 -54.6 -46.6 -7.9 33.4 28.6 114 136 A V H X S+ 0 0 66 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.923 113.1 48.0 -65.3 -44.5 -9.4 30.6 26.5 115 137 A A H X S+ 0 0 1 -4,-2.7 4,-2.7 -5,-0.2 -1,-0.2 0.906 111.5 49.5 -60.4 -44.0 -13.0 31.5 27.5 116 138 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.908 108.9 53.2 -67.8 -38.8 -12.5 35.2 26.7 117 139 A Q H X S+ 0 0 61 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.940 110.9 46.3 -57.8 -48.3 -11.0 34.4 23.3 118 140 A S H X S+ 0 0 54 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.934 113.3 48.9 -59.7 -51.1 -14.0 32.3 22.4 119 141 A I H >< S+ 0 0 0 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.969 115.6 42.2 -52.2 -55.9 -16.5 34.9 23.6 120 142 A T H >< S+ 0 0 1 -4,-2.9 3,-1.8 1,-0.3 5,-0.2 0.800 104.3 68.3 -67.2 -24.6 -14.8 37.7 21.7 121 143 A A H 3< S+ 0 0 65 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.742 103.1 44.6 -64.4 -24.5 -14.3 35.4 18.7 122 144 A Q T << S+ 0 0 97 -3,-1.4 -1,-0.3 -4,-0.9 2,-0.2 0.236 115.4 57.1-104.2 13.4 -18.0 35.5 18.1 123 145 A A S < S- 0 0 27 -3,-1.8 123,-0.1 3,-0.2 -3,-0.0 -0.641 76.7-124.8-128.9-171.3 -18.3 39.2 18.7 124 146 A S S S+ 0 0 115 -2,-0.2 3,-0.1 3,-0.1 -3,-0.1 -0.032 76.5 94.0-131.2 34.3 -16.9 42.4 17.3 125 147 A T S S- 0 0 15 1,-0.3 2,-0.3 -5,-0.2 90,-0.1 0.939 90.6 -2.8 -89.1 -63.2 -15.3 44.3 20.2 126 148 A V S S- 0 0 25 -6,-0.1 -1,-0.3 89,-0.0 -3,-0.2 -0.806 82.9 -83.8-128.5 165.7 -11.7 43.4 20.3 127 149 A A >> - 0 0 38 -2,-0.3 4,-2.3 1,-0.1 3,-0.7 -0.608 39.5-138.1 -68.7 125.1 -9.2 41.2 18.5 128 150 A P H 3> S+ 0 0 41 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.851 101.0 56.2 -59.3 -36.5 -9.6 37.7 20.1 129 151 A K H 3> S+ 0 0 89 1,-0.2 4,-1.3 2,-0.2 -59,-0.2 0.866 112.0 43.8 -63.0 -33.3 -5.8 37.0 20.2 130 152 A E H <> S+ 0 0 56 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.850 112.9 52.2 -76.6 -35.7 -5.4 40.3 22.2 131 153 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.892 104.0 57.3 -65.5 -40.5 -8.4 39.4 24.4 132 154 A F H X S+ 0 0 8 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.948 107.4 48.8 -52.3 -50.2 -6.9 36.0 25.1 133 155 A T H X S+ 0 0 0 -4,-1.3 4,-1.9 -65,-0.3 -1,-0.2 0.896 109.9 49.5 -60.4 -45.2 -3.8 37.8 26.5 134 156 A L H X S+ 0 0 1 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.905 111.3 50.5 -62.3 -38.8 -5.8 40.2 28.6 135 157 A G H >< S+ 0 0 0 -4,-2.7 3,-0.8 1,-0.2 -22,-0.3 0.944 109.2 51.5 -62.0 -47.4 -7.7 37.2 30.0 136 158 A L H 3< S+ 0 0 0 -4,-2.9 3,-0.3 1,-0.2 -1,-0.2 0.885 119.3 35.8 -51.8 -41.6 -4.5 35.4 30.8 137 159 A L H >< S+ 0 0 0 -4,-1.9 3,-2.4 1,-0.2 4,-0.3 0.431 79.7 116.2 -98.6 -2.5 -3.1 38.4 32.6 138 160 A A T << S+ 0 0 6 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.1 0.617 93.7 18.8 -50.2 -22.4 -6.3 39.7 34.3 139 161 A D T >> S+ 0 0 17 -3,-0.3 3,-2.5 -4,-0.2 4,-0.7 -0.006 75.8 133.0-139.5 35.9 -5.0 39.1 37.8 140 162 A V H <> + 0 0 0 -3,-2.4 4,-2.1 1,-0.3 5,-0.1 0.723 63.8 78.1 -59.7 -20.2 -1.3 38.8 37.4 141 163 A G H 3> S+ 0 0 0 36,-0.3 4,-1.9 -4,-0.3 -1,-0.3 0.788 87.7 57.8 -56.2 -28.4 -1.1 41.2 40.4 142 164 A R H <> S+ 0 0 77 -3,-2.5 4,-2.2 2,-0.2 5,-0.2 0.956 106.0 47.0 -67.7 -50.4 -1.9 38.1 42.6 143 165 A L H X S+ 0 0 0 -4,-0.7 4,-2.2 1,-0.2 -2,-0.2 0.898 111.3 54.4 -52.6 -44.8 1.2 36.2 41.3 144 166 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.893 108.9 44.8 -63.1 -42.5 3.3 39.4 41.8 145 167 A L H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 8,-0.2 0.922 113.4 50.8 -67.6 -42.5 2.3 39.9 45.5 146 168 A A H < S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.869 115.9 43.3 -61.5 -37.1 2.9 36.2 46.2 147 169 A T H < S+ 0 0 34 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.915 117.6 43.8 -74.2 -44.4 6.3 36.4 44.5 148 170 A A H < S+ 0 0 29 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.922 131.1 18.3 -69.0 -47.6 7.3 39.7 46.1 149 171 A W X + 0 0 102 -4,-2.9 4,-3.6 -5,-0.2 5,-0.4 -0.501 69.8 165.7-127.4 64.9 6.2 39.1 49.7 150 172 A P H > S+ 0 0 28 0, 0.0 4,-1.6 0, 0.0 -51,-0.3 0.841 79.5 37.7 -54.3 -44.4 5.8 35.3 50.1 151 173 A E H > S+ 0 0 124 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.888 119.5 45.8 -77.8 -42.1 5.7 35.2 53.9 152 174 A E H > S+ 0 0 78 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.933 114.0 49.8 -64.2 -41.9 3.7 38.4 54.4 153 175 A Y H X S+ 0 0 0 -4,-3.6 4,-3.0 -8,-0.2 5,-0.2 0.861 103.8 59.0 -70.7 -32.4 1.3 37.4 51.6 154 176 A S H X S+ 0 0 0 -4,-1.6 4,-2.1 -5,-0.4 -1,-0.2 0.913 104.9 51.8 -58.3 -42.1 0.8 34.0 53.2 155 177 A E H X S+ 0 0 93 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.967 111.6 45.9 -54.7 -54.1 -0.4 35.8 56.4 156 178 A C H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 3,-0.3 0.935 112.2 51.1 -56.1 -46.2 -2.9 37.8 54.3 157 179 A L H < S+ 0 0 42 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.838 109.6 50.0 -64.5 -33.4 -4.1 34.8 52.4 158 180 A R H < S+ 0 0 146 -4,-2.1 -1,-0.2 -3,-0.2 -2,-0.2 0.823 118.3 37.4 -74.6 -29.0 -4.7 32.8 55.6 159 181 A K H < S+ 0 0 134 -4,-1.7 2,-0.3 -3,-0.3 -2,-0.2 0.606 118.7 24.1-101.6 -11.7 -6.7 35.5 57.3 160 182 A A < + 0 0 18 -4,-1.8 2,-0.3 -5,-0.2 -1,-0.1 -0.974 46.4 179.9-151.3 162.9 -8.8 37.1 54.5 161 183 A D >> + 0 0 125 -2,-0.3 4,-1.6 -3,-0.0 3,-1.0 -0.901 58.7 7.9-149.2 178.0 -10.4 36.9 51.1 162 184 A G H 3> S- 0 0 50 -2,-0.3 4,-2.0 1,-0.2 3,-0.2 -0.086 129.0 -8.9 46.0-135.6 -12.5 39.0 48.8 163 185 A E H 3> S+ 0 0 170 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.845 137.0 56.6 -62.3 -35.0 -12.8 42.7 49.9 164 186 A A H <> S+ 0 0 60 -3,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.894 106.9 49.8 -65.6 -39.0 -11.2 42.0 53.3 165 187 A L H X S+ 0 0 7 -4,-1.6 4,-2.9 -3,-0.2 -2,-0.2 0.931 109.1 52.2 -62.3 -44.8 -8.2 40.6 51.5 166 188 A I H X S+ 0 0 25 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.941 111.0 47.6 -54.8 -48.7 -8.1 43.7 49.3 167 189 A A H X S+ 0 0 57 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.873 112.3 49.7 -60.2 -37.8 -8.2 45.9 52.5 168 190 A L H X S+ 0 0 17 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.891 107.9 53.2 -71.8 -38.2 -5.5 43.8 54.1 169 191 A E H X>S+ 0 0 0 -4,-2.9 4,-3.3 1,-0.2 6,-0.6 0.943 106.6 52.4 -61.4 -47.2 -3.2 44.1 51.0 170 192 A R H X5S+ 0 0 145 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.881 110.8 48.9 -56.4 -39.1 -3.5 47.9 51.0 171 193 A E H <5S+ 0 0 147 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.938 119.7 35.3 -65.5 -48.3 -2.4 47.9 54.7 172 194 A R H <5S+ 0 0 76 -4,-2.4 -2,-0.2 1,-0.1 -3,-0.2 0.878 137.5 15.1 -75.2 -37.6 0.6 45.6 54.3 173 195 A F H <5S- 0 0 13 -4,-3.3 -3,-0.2 2,-0.4 -2,-0.2 0.422 90.3-121.0-123.2 -4.7 1.8 46.7 50.8 174 196 A A S < - 0 0 4 -2,-0.3 4,-3.1 -7,-0.1 5,-0.2 -0.879 34.0-100.5-131.0 169.8 -3.8 45.4 46.2 177 199 A H H > S+ 0 0 5 -2,-0.3 4,-1.8 1,-0.2 -36,-0.3 0.802 120.2 47.4 -64.6 -28.8 -3.7 42.6 43.7 178 200 A D H > S+ 0 0 35 2,-0.2 4,-2.0 1,-0.1 -1,-0.2 0.910 114.5 44.3 -77.5 -44.4 -6.2 44.4 41.3 179 201 A E H > S+ 0 0 66 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.949 113.5 52.8 -60.1 -45.9 -4.5 47.7 41.4 180 202 A L H X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 5,-0.2 0.927 106.3 53.4 -58.6 -43.9 -1.2 46.0 41.0 181 203 A T H X S+ 0 0 0 -4,-1.8 4,-3.3 -5,-0.2 5,-0.3 0.951 109.8 47.3 -52.7 -51.8 -2.5 44.1 37.9 182 204 A R H X S+ 0 0 45 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.877 112.6 49.1 -60.5 -39.3 -3.6 47.4 36.3 183 205 A X H X S+ 0 0 50 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.912 113.0 47.4 -68.6 -41.0 -0.2 49.0 37.0 184 206 A L H X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.2 -2,-0.2 0.958 113.3 47.7 -61.0 -51.0 1.6 45.9 35.6 185 207 A L H <>S+ 0 0 0 -4,-3.3 5,-2.2 1,-0.2 4,-0.3 0.875 112.3 50.5 -61.5 -37.3 -0.6 45.8 32.5 186 208 A T H ><5S+ 0 0 80 -4,-2.3 3,-1.4 -5,-0.3 -1,-0.2 0.941 110.3 48.8 -65.8 -45.4 -0.0 49.5 32.0 187 209 A D H 3<5S+ 0 0 60 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.854 107.8 57.0 -59.6 -33.5 3.7 49.1 32.4 188 210 A W T 3<5S- 0 0 0 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.435 127.6 -92.0 -85.3 1.6 3.6 46.3 29.8 189 211 A G T < 5S+ 0 0 27 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.304 73.9 142.1 116.2 -9.6 2.0 48.4 27.1 190 212 A F < - 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0 0 43 1,-0.1 5,-0.0 2,-0.1 -9,-0.0 -0.523 360.0-100.0 -78.9 146.3 -24.7 31.6 36.3 235 262 A S > - 0 0 54 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.136 33.5-107.4 -59.0 157.7 -26.8 34.1 38.1 236 263 A P H > S+ 0 0 96 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.879 120.5 56.1 -54.0 -40.4 -29.7 35.8 36.3 237 264 A L H > S+ 0 0 64 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.953 108.5 44.8 -58.1 -53.2 -27.7 39.0 36.2 238 265 A L H > S+ 0 0 9 1,-0.2 4,-3.5 2,-0.2 -1,-0.2 0.908 113.2 51.0 -60.8 -40.7 -24.7 37.4 34.4 239 266 A R H X S+ 0 0 115 -4,-2.4 4,-3.1 1,-0.2 -1,-0.2 0.910 110.8 49.5 -63.6 -38.7 -27.1 35.6 32.0 240 267 A A H X S+ 0 0 58 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.892 113.2 45.6 -66.3 -38.0 -28.7 38.9 31.2 241 268 A E H X S+ 0 0 11 -4,-2.6 4,-1.6 2,-0.2 5,-0.2 0.920 111.8 53.2 -71.0 -41.1 -25.3 40.5 30.7 242 269 A A H >X S+ 0 0 13 -4,-3.5 4,-1.2 1,-0.2 3,-0.7 0.953 109.6 47.6 -52.1 -53.7 -24.3 37.5 28.6 243 270 A R H 3< S+ 0 0 178 -4,-3.1 3,-0.2 1,-0.2 -1,-0.2 0.875 106.4 59.7 -56.7 -36.5 -27.4 38.0 26.5 244 271 A R H 3< S+ 0 0 105 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.804 107.8 42.4 -71.3 -28.6 -26.6 41.7 26.2 245 272 A C H << S- 0 0 7 -4,-1.6 -1,-0.3 -3,-0.7 -2,-0.2 0.645 125.4-110.3 -78.0 -18.8 -23.2 41.0 24.5 246 273 A G < - 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