==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-AUG-12 4GTN . COMPND 2 MOLECULE: ANTHRANILATE PHOSPHORIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER; . AUTHOR K.PONNIAH,L.V.NIGON,B.F.ANDERSON,G.E.NORRIS,W.M.PATRICK . 337 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14175.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 240 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 5.3 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 . 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 . 18 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 139 41.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.1 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 0 0 0 1 3 2 3 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 0 PARALLEL BRIDGES PER LADDER . 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 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 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 17 A P > 0 0 135 0, 0.0 4,-0.9 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-130.3 46.5 24.4 49.9 2 18 A A H > + 0 0 71 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.468 360.0 65.6 -79.7 -7.4 47.3 21.0 51.3 3 19 A L H 4 S+ 0 0 66 2,-0.2 4,-0.4 1,-0.1 -1,-0.2 0.630 102.0 44.2 -88.4 -19.5 43.6 21.2 52.3 4 20 A R H > S+ 0 0 120 2,-0.2 4,-2.0 -3,-0.1 5,-0.2 0.747 110.9 57.3 -85.7 -35.6 42.6 21.1 48.7 5 21 A A H X S+ 0 0 47 -4,-0.9 4,-2.6 1,-0.2 -2,-0.2 0.920 103.8 50.2 -60.0 -46.6 45.1 18.3 48.2 6 22 A N H X S+ 0 0 37 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.825 107.7 55.5 -67.7 -27.5 43.5 16.1 50.8 7 23 A I H > S+ 0 0 0 -4,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.925 110.7 43.0 -65.9 -44.2 40.1 16.6 49.2 8 24 A Q H X S+ 0 0 101 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.892 113.5 52.9 -73.2 -33.4 41.3 15.4 45.8 9 25 A Q H X S+ 0 0 84 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.953 110.1 48.6 -61.1 -48.5 43.2 12.6 47.5 10 26 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.924 110.2 50.5 -57.0 -45.4 39.9 11.6 49.2 11 27 A L H X S+ 0 0 39 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.922 109.5 51.3 -65.4 -39.5 37.9 11.7 46.0 12 28 A N H X S+ 0 0 95 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.926 110.5 48.2 -61.3 -44.9 40.5 9.5 44.3 13 29 A H H ><>S+ 0 0 36 -4,-2.4 5,-3.2 1,-0.2 3,-0.5 0.923 109.8 53.2 -60.2 -43.1 40.3 7.0 47.1 14 30 A I H ><5S+ 0 0 7 -4,-2.8 3,-2.0 1,-0.2 -1,-0.2 0.922 105.0 54.0 -61.2 -41.5 36.5 7.1 46.9 15 31 A T H 3<5S+ 0 0 103 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.780 109.4 48.5 -63.5 -25.3 36.6 6.3 43.2 16 32 A K T <<5S- 0 0 126 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.276 121.8-112.7 -92.2 9.7 38.8 3.3 43.9 17 33 A N T < 5 + 0 0 107 -3,-2.0 2,-0.6 1,-0.2 -3,-0.2 0.802 67.6 147.3 63.9 30.3 36.2 2.3 46.6 18 34 A I < - 0 0 79 -5,-3.2 -1,-0.2 -6,-0.2 -2,-0.1 -0.885 47.2-125.6 -98.9 121.4 38.7 2.9 49.4 19 35 A H - 0 0 99 -2,-0.6 2,-0.1 -3,-0.1 35,-0.1 -0.342 23.4-113.5 -60.0 139.0 37.1 4.2 52.6 20 36 A L - 0 0 3 1,-0.1 2,-0.1 4,-0.1 38,-0.1 -0.463 32.0-119.8 -64.7 146.1 38.5 7.4 54.1 21 37 A T > - 0 0 72 -2,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.449 27.7-106.6 -76.4 165.2 40.2 6.9 57.5 22 38 A Q H > S+ 0 0 42 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.922 124.3 53.0 -60.4 -40.0 38.7 8.7 60.4 23 39 A A H > S+ 0 0 64 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.931 111.4 44.9 -56.9 -46.7 41.7 11.0 60.3 24 40 A Q H > S+ 0 0 54 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.883 112.2 51.6 -70.0 -34.9 41.1 11.7 56.6 25 41 A M H X S+ 0 0 0 -4,-2.8 4,-3.6 2,-0.2 5,-0.3 0.893 106.9 52.2 -73.7 -35.2 37.3 12.2 57.1 26 42 A E H X S+ 0 0 37 -4,-2.5 4,-3.9 -5,-0.2 5,-0.3 0.966 111.1 48.6 -59.7 -48.8 37.7 14.7 59.9 27 43 A D H X S+ 0 0 67 -4,-1.8 4,-2.5 -5,-0.2 -2,-0.2 0.956 116.2 42.5 -57.6 -50.5 40.1 16.7 57.7 28 44 A V H X S+ 0 0 3 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.945 117.8 45.0 -59.5 -50.7 37.7 16.6 54.8 29 45 A M H X S+ 0 0 2 -4,-3.6 4,-2.3 1,-0.2 -2,-0.2 0.908 111.7 52.2 -68.8 -36.5 34.6 17.3 56.8 30 46 A R H X S+ 0 0 80 -4,-3.9 4,-1.7 -5,-0.3 6,-0.3 0.943 108.9 52.5 -62.4 -40.6 36.3 20.1 58.8 31 47 A S H <>S+ 0 0 5 -4,-2.5 5,-3.3 -5,-0.3 6,-0.5 0.922 109.1 48.4 -60.8 -43.4 37.3 21.7 55.4 32 48 A I H ><5S+ 0 0 4 -4,-2.3 3,-1.1 4,-0.2 -1,-0.2 0.909 111.9 49.2 -63.2 -40.7 33.7 21.5 54.2 33 49 A M H 3<5S+ 0 0 23 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.745 112.2 48.5 -73.7 -22.2 32.4 23.1 57.4 34 50 A Q T 3<5S- 0 0 126 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.096 118.8-105.2-100.9 21.9 35.0 25.9 57.3 35 51 A G T < 5S+ 0 0 31 -3,-1.1 -3,-0.2 1,-0.1 -4,-0.1 0.716 85.0 127.7 59.7 21.3 34.4 26.8 53.6 36 52 A N < + 0 0 85 -5,-3.3 2,-0.4 -6,-0.3 -4,-0.2 0.262 57.4 69.5 -91.9 14.2 37.7 25.1 52.6 37 53 A A S S- 0 0 16 -6,-0.5 2,-0.1 -5,-0.2 -33,-0.1 -0.972 81.0-121.8-128.7 147.6 36.0 23.0 49.9 38 54 A T > - 0 0 58 -2,-0.4 4,-2.0 1,-0.1 5,-0.1 -0.365 26.8-112.1 -80.9 164.2 34.4 24.1 46.6 39 55 A E H > S+ 0 0 124 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.918 118.8 50.4 -61.3 -45.2 30.8 23.4 45.7 40 56 A A H > S+ 0 0 79 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.925 110.1 51.4 -59.9 -41.9 31.8 20.9 42.9 41 57 A Q H > S+ 0 0 18 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.894 109.7 49.4 -60.0 -41.3 34.0 19.1 45.4 42 58 A I H X S+ 0 0 5 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.915 111.1 49.1 -69.0 -42.4 31.1 18.9 47.9 43 59 A G H X S+ 0 0 12 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.909 113.5 47.7 -58.9 -40.7 28.8 17.6 45.3 44 60 A A H X S+ 0 0 41 -4,-2.5 4,-3.1 -5,-0.2 -2,-0.2 0.880 110.7 49.8 -68.8 -44.6 31.4 15.0 44.3 45 61 A L H X S+ 0 0 4 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.933 112.5 48.7 -59.8 -45.9 32.1 13.9 47.9 46 62 A M H X S+ 0 0 2 -4,-2.5 4,-1.8 1,-0.2 125,-0.2 0.916 116.6 40.9 -58.5 -48.5 28.4 13.5 48.5 47 63 A M H X S+ 0 0 90 -4,-2.2 4,-2.2 -5,-0.2 5,-0.2 0.906 116.3 50.2 -68.9 -41.5 27.9 11.5 45.4 48 64 A G H X S+ 0 0 20 -4,-3.1 4,-2.6 1,-0.2 5,-0.3 0.945 113.0 43.8 -66.4 -47.3 31.1 9.5 45.8 49 65 A L H X S+ 0 0 7 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.893 112.5 55.4 -62.1 -37.6 30.4 8.5 49.5 50 66 A R H < S+ 0 0 116 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.923 113.5 39.5 -63.3 -43.0 26.8 7.7 48.6 51 67 A M H < S+ 0 0 143 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.882 117.4 47.0 -81.8 -35.2 27.8 5.3 45.9 52 68 A K H < S- 0 0 28 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.899 117.4-111.2 -61.6 -40.5 30.7 3.7 47.6 53 69 A G < - 0 0 28 -4,-2.3 2,-0.2 -5,-0.3 -3,-0.1 0.304 27.4-103.4 101.1 118.5 28.7 3.3 50.8 54 70 A E - 0 0 46 -4,-0.2 2,-0.1 1,-0.1 -35,-0.0 -0.558 38.9-138.6 -72.3 138.2 29.6 5.3 53.9 55 71 A S > - 0 0 21 -2,-0.2 4,-2.3 1,-0.1 5,-0.3 -0.461 21.2-108.5 -92.8 169.6 31.5 3.3 56.4 56 72 A I H > S+ 0 0 48 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.958 121.4 50.9 -59.2 -48.9 31.1 3.3 60.2 57 73 A D H > S+ 0 0 71 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.915 110.3 49.1 -57.0 -43.6 34.5 5.1 60.5 58 74 A E H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.892 114.9 42.8 -64.4 -43.8 33.5 7.8 58.0 59 75 A I H X S+ 0 0 5 -4,-2.3 4,-2.3 2,-0.2 5,-0.3 0.922 114.6 52.0 -70.4 -38.8 30.2 8.6 59.6 60 76 A T H X S+ 0 0 0 -4,-3.1 4,-2.8 -5,-0.3 3,-0.3 0.984 111.9 44.6 -59.0 -58.1 31.7 8.5 63.1 61 77 A A H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.877 114.0 50.8 -51.9 -44.2 34.5 10.9 62.2 62 78 A A H X S+ 0 0 0 -4,-1.8 4,-1.7 -5,-0.3 -1,-0.2 0.869 111.2 45.2 -66.3 -42.9 32.1 13.2 60.4 63 79 A A H X S+ 0 0 1 -4,-2.3 4,-2.5 -3,-0.3 5,-0.3 0.917 109.2 58.6 -65.7 -41.1 29.6 13.4 63.2 64 80 A R H X S+ 0 0 56 -4,-2.8 4,-1.7 -5,-0.3 -2,-0.2 0.905 108.1 45.5 -54.0 -41.9 32.5 13.9 65.6 65 81 A V H X S+ 0 0 8 -4,-1.9 4,-0.9 -5,-0.2 -1,-0.3 0.869 110.0 55.0 -68.6 -37.7 33.4 17.0 63.6 66 82 A M H < S+ 0 0 4 -4,-1.7 3,-0.4 1,-0.2 -2,-0.2 0.869 109.2 45.2 -64.8 -40.3 29.8 18.3 63.5 67 83 A R H >< S+ 0 0 80 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.875 103.1 66.6 -75.0 -32.6 29.4 18.2 67.2 68 84 A E H 3< S+ 0 0 104 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.799 108.0 40.1 -51.7 -31.8 32.8 19.8 67.7 69 85 A L T 3< S+ 0 0 57 -4,-0.9 2,-0.3 -3,-0.4 -1,-0.3 0.141 95.8 99.2-111.6 20.7 31.3 22.9 66.0 70 86 A A S < S- 0 0 19 -3,-1.8 2,-0.2 110,-0.1 110,-0.0 -0.712 81.4-105.8 -95.6 152.9 27.8 23.0 67.6 71 87 A I - 0 0 123 -2,-0.3 2,-0.4 2,-0.0 -2,-0.1 -0.617 47.6-164.4 -67.6 143.3 26.8 25.2 70.5 72 88 A K - 0 0 108 -2,-0.2 2,-0.3 110,-0.1 110,-0.2 -0.974 19.8-166.6-133.0 146.0 26.5 22.8 73.4 73 89 A I - 0 0 22 108,-1.6 2,-0.8 -2,-0.4 3,-0.1 -0.972 26.6-122.9-125.4 150.5 25.0 23.0 76.9 74 90 A D + 0 0 102 -2,-0.3 109,-0.1 1,-0.2 108,-0.1 -0.801 53.0 135.9-105.6 109.5 25.8 20.5 79.6 75 91 A V > + 0 0 0 107,-1.3 3,-1.7 -2,-0.8 -1,-0.2 0.051 36.3 116.0-128.8 19.9 22.9 18.5 81.1 76 92 A S T 3 + 0 0 60 1,-0.3 5,-0.1 106,-0.1 107,-0.1 0.623 65.5 71.0 -68.0 -12.7 24.6 15.2 81.0 77 93 A D T 3 S+ 0 0 105 2,-0.1 -1,-0.3 -3,-0.0 2,-0.1 0.771 77.8 103.4 -68.4 -25.8 24.4 15.2 84.8 78 94 A I S X S- 0 0 29 -3,-1.7 3,-0.6 1,-0.1 2,-0.1 -0.334 73.6-126.0 -68.0 133.7 20.7 14.6 84.6 79 95 A Q T 3 S+ 0 0 133 1,-0.2 32,-0.1 -2,-0.1 -1,-0.1 -0.441 89.4 16.4 -76.5 149.3 19.4 11.2 85.3 80 96 A Y T 3 S+ 0 0 76 222,-0.3 31,-3.0 1,-0.2 2,-0.4 0.890 84.8 168.3 55.8 42.1 17.1 9.5 82.7 81 97 A L E < +a 111 0A 10 -3,-0.6 104,-0.4 221,-0.2 2,-0.3 -0.741 4.8 162.0 -90.3 133.1 18.2 11.9 80.0 82 98 A V E -a 112 0A 0 29,-2.4 31,-1.3 -2,-0.4 2,-0.3 -0.965 26.8-151.6-148.6 157.7 17.2 11.0 76.4 83 99 A D E -c 187 0B 2 103,-1.8 105,-2.0 -2,-0.3 2,-0.5 -0.974 6.0-153.5-131.8 149.3 16.8 12.3 73.0 84 100 A I E +c 188 0B 17 -2,-0.3 2,-0.3 103,-0.2 105,-0.2 -0.992 28.5 161.2-119.1 123.4 14.5 11.2 70.1 85 101 A V E -c 189 0B 10 103,-2.7 105,-2.9 -2,-0.5 2,-0.3 -0.920 18.1-167.1-138.9 165.9 15.7 12.0 66.6 86 102 A G E -c 190 0B 33 -2,-0.3 105,-0.2 103,-0.3 3,-0.1 -0.993 28.7-142.0-152.9 146.4 15.1 11.0 63.0 87 103 A T - 0 0 27 103,-1.9 104,-0.1 -2,-0.3 2,-0.1 0.591 66.3-104.0 -72.5 -13.6 16.7 11.4 59.6 88 104 A G - 0 0 31 102,-0.2 -1,-0.2 134,-0.2 2,-0.1 -0.026 39.3-141.4 90.5 150.3 13.2 11.7 58.3 89 105 A G - 0 0 21 3,-0.2 2,-0.9 -2,-0.1 132,-0.2 -0.173 52.0 -40.3-115.9-147.9 11.7 8.7 56.5 90 106 A D S S- 0 0 79 130,-2.5 2,-0.4 -2,-0.1 132,-0.1 -0.835 81.1-133.8 -76.6 107.9 9.5 8.3 53.5 91 107 A G + 0 0 70 -2,-0.9 2,-0.2 2,-0.1 130,-0.0 -0.958 50.5 149.3-116.4 136.3 7.2 11.3 54.3 92 108 A Q - 0 0 90 -2,-0.4 2,-1.3 0, 0.0 -3,-0.2 -0.250 63.9 -95.7 76.0 98.2 4.2 11.2 54.2 93 109 A N + 0 0 106 -2,-0.2 169,-2.3 169,-0.1 2,-0.2 -0.626 46.8 175.2 -97.1 82.2 3.0 13.6 56.8 94 110 A L B -G 261 0C 25 -2,-1.3 167,-0.2 167,-0.2 174,-0.1 -0.509 44.9 -92.1 -71.0 150.8 2.2 11.9 60.1 95 111 A F - 0 0 2 165,-2.3 2,-2.0 -2,-0.2 3,-0.2 -0.184 59.3 -78.9 -53.9 162.3 1.3 14.0 63.0 96 112 A N > + 0 0 38 1,-0.2 4,-1.9 2,-0.1 3,-0.2 -0.450 59.9 167.2 -75.2 79.7 4.2 15.0 65.2 97 113 A V H > S+ 0 0 1 -2,-2.0 4,-3.0 1,-0.2 -1,-0.2 0.909 74.4 52.7 -59.9 -45.5 4.6 11.8 67.2 98 114 A S H > S+ 0 0 33 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.826 107.1 53.0 -67.6 -29.3 8.1 12.7 68.6 99 115 A T H > S+ 0 0 7 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.946 112.9 42.7 -70.5 -45.7 6.7 16.0 69.8 100 116 A A H >X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.2 3,-0.6 0.907 110.6 57.3 -59.1 -42.7 3.9 14.4 71.7 101 117 A S H 3X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.846 97.5 63.9 -59.0 -32.7 6.3 11.7 72.9 102 118 A S H 3X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.899 103.8 45.4 -59.0 -43.7 8.4 14.4 74.5 103 119 A F H S+ 0 0 0 -4,-2.9 5,-1.9 2,-0.2 4,-0.6 0.932 114.7 44.3 -55.3 -48.6 8.6 11.1 78.5 106 122 A A H ><5S+ 0 0 6 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.899 111.4 52.1 -66.5 -44.6 8.9 14.2 80.7 107 123 A A H 3<5S+ 0 0 28 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.830 105.7 57.5 -61.1 -31.3 5.6 13.5 82.5 108 124 A A H 3<5S- 0 0 29 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.628 126.5 -96.9 -72.3 -20.6 6.9 9.9 83.2 109 125 A G T <<5S+ 0 0 46 -3,-1.0 -3,-0.2 -4,-0.6 2,-0.1 0.354 88.7 108.6 120.2 -2.1 10.0 11.2 85.0 110 126 A A < - 0 0 1 -5,-1.9 -1,-0.4 -29,-0.0 2,-0.4 -0.433 61.9-124.4 -95.5-179.5 12.7 11.1 82.4 111 127 A T E -a 81 0A 17 -31,-3.0 -29,-2.4 -2,-0.1 2,-0.4 -0.979 20.2-167.8-132.0 135.2 14.2 14.1 80.8 112 128 A I E -ab 82 146A 0 33,-2.5 35,-1.7 -2,-0.4 2,-0.7 -0.987 16.5-168.4-130.7 135.4 14.4 14.9 77.1 113 129 A A E - b 0 147A 1 -31,-1.3 2,-0.7 -2,-0.4 69,-0.2 -0.906 25.2-157.1-115.1 91.4 16.3 17.6 75.3 114 130 A K E - b 0 148A 27 33,-1.7 35,-2.6 -2,-0.7 2,-0.3 -0.656 3.6-153.0 -81.6 113.2 14.7 17.3 72.0 115 131 A H E + b 0 149A 14 -2,-0.7 35,-0.2 -31,-0.2 2,-0.2 -0.702 33.7 135.7 -91.7 138.5 17.1 18.6 69.3 116 132 A G 0 0 14 33,-2.4 35,-0.2 -2,-0.3 -1,-0.1 -0.493 360.0 360.0-152.6-138.5 15.4 19.9 66.3 117 133 A N 0 0 163 34,-0.2 34,-0.3 -2,-0.2 -1,-0.1 0.818 360.0 360.0-132.7 360.0 14.7 22.2 63.5 118 ! 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 0.0 119 142 A S > 0 0 58 0, 0.0 4,-0.8 0, 0.0 -23,-0.0 0.000 360.0 360.0 360.0 143.5 7.7 21.2 64.3 120 143 A S H > + 0 0 43 2,-0.2 4,-2.4 1,-0.1 5,-0.2 0.828 360.0 59.8 -88.5 -34.3 7.9 24.7 65.8 121 144 A D H > S+ 0 0 101 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.920 102.0 57.3 -61.3 -43.9 4.6 26.1 64.6 122 145 A L H > S+ 0 0 2 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.924 108.1 44.2 -47.7 -55.5 2.9 23.3 66.5 123 146 A L H ><>S+ 0 0 0 -4,-0.8 5,-2.2 2,-0.2 3,-0.6 0.946 115.2 47.3 -62.7 -46.3 4.4 24.2 69.8 124 147 A E H ><5S+ 0 0 79 -4,-2.4 3,-1.8 1,-0.3 -1,-0.2 0.888 108.0 57.7 -63.9 -34.6 3.8 28.0 69.4 125 148 A Q H 3<5S+ 0 0 91 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.837 101.1 56.9 -61.2 -32.9 0.3 27.1 68.3 126 149 A A T <<5S- 0 0 25 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.316 128.7 -97.9 -83.7 10.7 -0.1 25.4 71.7 127 150 A G T < 5S+ 0 0 35 -3,-1.8 2,-0.6 1,-0.3 -3,-0.2 0.599 80.8 140.4 86.9 11.7 0.8 28.6 73.5 128 151 A I < - 0 0 3 -5,-2.2 2,-0.6 -6,-0.2 -1,-0.3 -0.794 46.0-142.3 -96.3 122.1 4.4 27.6 74.0 129 152 A N + 0 0 35 -2,-0.6 209,-0.1 203,-0.3 -5,-0.0 -0.739 20.4 178.2 -90.0 118.7 7.0 30.3 73.5 130 153 A L + 0 0 27 -2,-0.6 2,-2.6 1,-0.1 20,-0.1 0.280 48.9 111.1-100.6 7.0 10.1 29.1 71.7 131 154 A D + 0 0 102 204,-0.1 2,-0.4 0, 0.0 -1,-0.1 -0.422 54.6 147.5 -78.4 66.9 11.9 32.5 71.6 132 155 A L - 0 0 40 -2,-2.6 18,-0.1 18,-0.1 207,-0.0 -0.899 47.6-136.6-119.3 131.4 14.3 31.2 74.1 133 156 A D > - 0 0 65 -2,-0.4 4,-1.6 1,-0.1 3,-0.2 -0.223 43.1 -96.8 -68.0 168.9 18.0 31.8 74.7 134 157 A M H > S+ 0 0 48 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.719 124.0 50.7 -65.8 -20.1 20.2 28.8 75.4 135 158 A Q H > S+ 0 0 126 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.822 106.9 51.6 -88.1 -32.1 20.0 29.3 79.2 136 159 A Q H > S+ 0 0 34 -3,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.818 109.5 53.8 -69.2 -28.8 16.2 29.6 79.3 137 160 A T H X S+ 0 0 7 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.907 105.1 51.1 -72.3 -42.2 16.1 26.3 77.3 138 161 A E H X S+ 0 0 52 -4,-1.2 4,-2.8 1,-0.2 5,-0.3 0.896 105.9 57.3 -63.4 -36.4 18.3 24.6 79.9 139 162 A R H X S+ 0 0 111 -4,-1.8 4,-2.7 1,-0.2 5,-0.4 0.911 105.0 51.1 -57.9 -43.2 15.9 25.8 82.5 140 163 A C H X>S+ 0 0 3 -4,-1.5 4,-2.2 2,-0.2 6,-1.1 0.933 112.0 46.6 -54.9 -50.1 13.0 24.0 80.6 141 164 A I H X5S+ 0 0 0 -4,-2.0 4,-1.0 4,-0.2 -2,-0.2 0.936 118.9 39.1 -61.2 -50.1 15.0 20.7 80.5 142 165 A R H <5S+ 0 0 102 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.871 126.9 31.7 -71.2 -39.1 16.0 20.8 84.2 143 166 A E H <5S+ 0 0 94 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.723 132.2 27.4 -97.8 -22.1 12.8 22.1 85.7 144 167 A M H <5S- 0 0 29 -4,-2.2 -3,-0.2 -5,-0.4 -2,-0.1 0.561 97.1-122.6-113.2 -19.1 10.1 20.7 83.4 145 168 A G S <> + 0 0 24 -2,-0.6 3,-2.4 1,-0.1 4,-1.2 -0.136 33.7 130.7-102.0 21.4 26.0 24.1 58.0 157 182 A K H 3> + 0 0 117 1,-0.3 4,-0.7 2,-0.2 -1,-0.1 0.736 55.7 63.7 -49.3 -31.4 25.4 26.7 55.4 158 183 A Y H 34 S+ 0 0 88 1,-0.2 -1,-0.3 -3,-0.2 -116,-0.1 0.696 105.3 43.0 -73.9 -19.1 28.0 25.2 53.1 159 184 A A H <> S+ 0 0 0 -3,-2.4 4,-2.9 2,-0.1 -1,-0.2 0.723 95.8 80.7 -95.4 -23.1 26.1 21.9 52.6 160 185 A V H < S+ 0 0 99 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.1 0.860 95.0 40.1 -55.2 -49.0 22.6 23.5 52.2 161 186 A G T < S+ 0 0 26 -4,-0.7 5,-0.2 2,-0.2 -1,-0.2 0.969 116.2 48.2 -69.6 -54.3 22.9 24.5 48.5 162 187 A P T 4 0 0 5 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.915 360.0 360.0 -50.1 -43.7 24.7 21.4 47.3 163 188 A R < 0 0 89 -4,-2.9 4,-2.2 2,-0.2 5,-0.2 0.939 360.0 360.0 -60.2 360.0 22.1 19.3 49.1 164 ! 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 0.0 165 190 A E 0 0 160 0, 0.0 -2,-0.2 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 -43.8 20.8 21.0 44.2 166 191 A L - 0 0 61 -4,-3.0 -3,-0.2 -5,-0.2 3,-0.1 0.894 360.0-160.1 -70.7 -40.1 21.7 17.3 44.2 167 192 A G + 0 0 70 -4,-2.2 2,-0.3 -5,-0.3 -4,-0.1 0.613 47.6 120.9 69.8 9.8 18.4 16.3 45.6 168 193 A I S S- 0 0 49 -5,-0.2 2,-0.3 1,-0.0 -1,-0.2 -0.733 72.6-105.3 -99.7 156.4 19.8 12.9 46.7 169 194 A R + 0 0 92 -2,-0.3 2,-0.2 -3,-0.1 -1,-0.0 -0.601 54.7 169.1 -69.0 138.5 20.0 11.5 50.3 170 195 A S > - 0 0 4 -2,-0.3 3,-1.4 -120,-0.0 4,-0.4 -0.797 53.4 -75.3-139.5-177.1 23.6 11.8 51.3 171 196 A I T >> S+ 0 0 2 1,-0.3 3,-1.4 -2,-0.2 4,-1.2 0.811 122.6 67.3 -53.6 -30.3 25.8 11.5 54.3 172 197 A F H 3> S+ 0 0 4 1,-0.3 4,-1.2 2,-0.2 -1,-0.3 0.802 88.1 63.3 -65.1 -30.8 24.5 14.8 55.5 173 198 A N H <4 S+ 0 0 35 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.674 108.0 45.7 -63.0 -19.2 21.0 13.4 56.1 174 199 A L H <4 S+ 0 0 7 -3,-1.4 4,-0.4 -4,-0.4 -1,-0.2 0.788 104.5 57.9 -93.4 -34.9 22.6 11.2 58.7 175 200 A L H >< S+ 0 0 0 -4,-1.2 3,-0.7 1,-0.2 4,-0.4 0.767 91.2 70.8 -75.8 -25.7 24.8 13.7 60.5 176 201 A G G >< S+ 0 0 28 -4,-1.2 3,-1.0 1,-0.3 -1,-0.2 0.946 103.4 39.3 -55.4 -55.9 22.0 16.1 61.5 177 202 A P G 3 S+ 0 0 12 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.572 108.6 65.6 -66.2 -15.4 20.4 13.8 64.2 178 203 A L G < S+ 0 0 3 -3,-0.7 2,-0.6 -4,-0.4 -2,-0.2 0.385 80.1 82.4 -95.1 1.9 23.8 12.6 65.4 179 204 A T < - 0 0 14 -3,-1.0 -1,-0.2 -4,-0.4 -4,-0.0 -0.508 61.1-172.8-111.0 68.1 25.0 15.9 66.8 180 205 A N > - 0 0 15 -2,-0.6 3,-1.2 1,-0.2 -110,-0.1 -0.377 10.0-167.4 -58.9 105.8 23.4 16.2 70.3 181 206 A P T 3 S+ 0 0 9 0, 0.0 -108,-1.6 0, 0.0 -1,-0.2 0.767 85.2 60.0 -68.4 -19.0 24.2 19.6 71.6 182 207 A A T 3 S- 0 0 1 -110,-0.2 -107,-1.3 -69,-0.2 -106,-0.1 0.494 110.7-116.3 -89.6 -1.3 23.1 18.6 75.1 183 208 A G < + 0 0 29 -3,-1.2 2,-0.1 1,-0.2 -109,-0.0 0.817 51.2 174.8 72.8 31.2 25.6 15.7 75.5 184 209 A V - 0 0 4 1,-0.1 -1,-0.2 -71,-0.1 -4,-0.1 -0.387 21.5-171.3 -71.8 147.4 22.9 13.1 75.6 185 210 A K + 0 0 91 -104,-0.4 25,-2.9 1,-0.1 26,-1.4 0.373 65.4 66.2-122.1 -3.2 24.0 9.4 75.7 186 211 A R E + d 0 211B 66 -105,-0.3 -103,-1.8 24,-0.2 2,-0.3 -0.989 65.5 170.3-130.2 127.0 20.7 7.6 75.3 187 212 A F E -cd 83 212B 2 24,-1.9 26,-2.2 -2,-0.4 2,-0.5 -0.967 38.9-153.2-140.9 145.7 18.8 7.8 72.0 188 213 A V E -cd 84 213B 6 -105,-2.0 -103,-2.7 -2,-0.3 2,-0.5 -0.996 34.1-172.6-107.9 122.4 15.9 6.6 69.9 189 214 A I E -cd 85 214B 2 24,-2.9 26,-2.6 -2,-0.5 2,-0.4 -0.975 13.3-151.9-123.2 118.2 17.1 7.3 66.3 190 215 A G E -cd 86 215B 1 -105,-2.9 -103,-1.9 -2,-0.5 2,-0.3 -0.748 16.9-175.0 -84.7 137.2 14.9 6.9 63.3 191 216 A V - 0 0 1 24,-2.3 26,-0.2 -2,-0.4 32,-0.1 -0.851 32.0-119.5-126.7 164.9 16.6 6.0 60.0 192 217 A F S S+ 0 0 26 -2,-0.3 2,-0.3 -103,-0.1 24,-0.1 0.556 89.5 34.0 -90.0 -0.6 15.2 5.7 56.4 193 218 A S S >> S- 0 0 21 1,-0.1 3,-0.9 22,-0.1 4,-0.5 -0.996 72.3-123.6-147.7 155.3 16.2 2.1 55.8 194 219 A D H >> S+ 0 0 32 -2,-0.3 3,-1.1 1,-0.2 4,-0.6 0.845 111.5 61.0 -57.3 -33.5 16.6 -1.2 57.6 195 220 A E H 34 S+ 0 0 140 1,-0.3 -1,-0.2 2,-0.2 3,-0.0 0.728 98.0 56.6 -75.3 -21.5 20.2 -1.3 56.4 196 221 A L H <> S+ 0 0 30 -3,-0.9 4,-2.3 1,-0.1 5,-0.3 0.678 88.9 79.6 -79.1 -17.0 21.1 1.9 58.2 197 222 A C H S+ 0 0 36 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.907 111.5 48.8 -64.7 -37.7 25.6 0.8 61.2 200 225 A I H X S+ 0 0 2 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.862 109.2 53.2 -65.3 -34.4 24.1 3.8 63.0 201 226 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.943 111.2 47.6 -60.9 -43.0 24.0 1.8 66.2 202 227 A E H X S+ 0 0 43 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.814 108.7 53.9 -68.1 -33.8 27.7 1.1 65.7 203 228 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.949 107.4 49.8 -63.4 -48.7 28.4 4.7 65.0 204 229 A M H <>S+ 0 0 5 -4,-2.7 5,-2.9 2,-0.2 4,-0.2 0.888 107.6 55.6 -61.7 -35.0 26.8 5.7 68.3 205 230 A K H ><5S+ 0 0 95 -4,-1.9 3,-2.1 1,-0.2 -1,-0.2 0.970 110.0 45.1 -56.5 -52.1 28.9 3.0 70.1 206 231 A Q H 3<5S+ 0 0 90 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.830 109.2 57.0 -65.9 -26.5 32.1 4.6 68.7 207 232 A L T 3<5S- 0 0 13 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.462 123.2-107.1 -83.0 0.5 30.6 8.0 69.6 208 233 A G T < 5 + 0 0 35 -3,-2.1 -3,-0.2 -4,-0.2 -2,-0.1 0.708 60.7 160.6 89.1 20.0 30.3 6.8 73.3 209 234 A A < - 0 0 16 -5,-2.9 -1,-0.2 -6,-0.1 -23,-0.2 -0.370 29.2-155.1 -72.7 157.6 26.6 6.4 73.5 210 235 A E S S+ 0 0 95 -25,-2.9 27,-0.7 1,-0.3 28,-0.4 0.845 74.2 7.2-100.1 -46.8 25.2 4.1 76.4 211 236 A H E +dE 186 236B 11 -26,-1.4 -24,-1.9 25,-0.2 2,-0.4 -0.972 69.1 165.6-146.0 126.4 21.9 2.9 75.1 212 237 A V E -dE 187 235B 0 23,-2.1 23,-2.3 -2,-0.4 2,-0.5 -0.999 22.3-161.3-145.0 136.6 20.4 3.5 71.7 213 238 A M E -dE 188 234B 0 -26,-2.2 -24,-2.9 -2,-0.4 2,-0.6 -0.995 13.0-164.1-114.2 121.8 17.5 2.0 69.6 214 239 A V E -dE 189 233B 0 19,-3.2 19,-2.5 -2,-0.5 2,-0.4 -0.937 19.3-170.4-106.1 118.7 17.9 2.7 65.9 215 240 A V E +dE 190 232B 0 -26,-2.6 -24,-2.3 -2,-0.6 2,-0.3 -0.895 26.0 169.2-124.2 141.1 14.5 2.1 64.2 216 241 A H E - E 0 231B 18 15,-1.9 15,-2.9 -2,-0.4 2,-0.2 -0.942 25.7-141.5-143.6 124.1 13.1 1.8 60.7 217 242 A S E > - E 0 230B 0 4,-2.5 3,-2.2 6,-0.4 4,-0.3 -0.560 19.7-121.3 -90.1 152.7 9.5 0.6 60.1 218 243 A K T 3 S+ 0 0 121 11,-3.1 12,-0.1 1,-0.3 -1,-0.1 0.810 111.5 59.5 -60.1 -29.2 8.5 -1.6 57.2 219 244 A D T 3 S- 0 0 49 10,-0.4 -1,-0.3 1,-0.1 11,-0.1 0.259 126.3 -94.6 -90.5 16.6 6.0 1.0 56.0 220 245 A G S < S+ 0 0 3 -3,-2.2 -130,-2.5 1,-0.3 2,-0.3 0.734 76.9 136.2 89.2 24.6 8.7 3.6 55.5 221 246 A L - 0 0 7 -4,-0.3 -4,-2.5 2,-0.2 -1,-0.3 -0.806 55.0-139.7-105.1 149.0 8.8 5.6 58.8 222 247 A D S S+ 0 0 34 -2,-0.3 2,-0.3 -6,-0.2 -134,-0.2 -0.226 90.2 54.6 -92.0 40.1 11.8 6.7 60.7 223 248 A E S S- 0 0 31 -32,-0.1 2,-0.5 -33,-0.1 -6,-0.4 -0.877 106.8 -69.6-151.9-177.9 9.8 5.8 63.9 224 249 A I - 0 0 1 -2,-0.3 2,-0.3 66,-0.1 70,-0.1 -0.715 54.9-138.6 -82.2 126.6 8.0 2.8 65.3 225 250 A S - 0 0 0 -2,-0.5 5,-0.1 3,-0.2 -7,-0.1 -0.601 18.3-156.6 -88.9 147.4 4.9 2.2 63.2 226 251 A L S S+ 0 0 0 -2,-0.3 29,-1.6 1,-0.1 -1,-0.1 0.657 96.2 52.5 -81.4 -19.0 1.5 1.3 64.6 227 252 A A S S+ 0 0 36 27,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.652 116.8 6.6 -97.3 -16.4 0.6 -0.2 61.2 228 253 A S S S- 0 0 24 28,-0.0 -3,-0.2 17,-0.0 2,-0.1 -0.858 88.9 -62.4-151.1-178.7 3.5 -2.6 60.5 229 254 A Q - 0 0 57 -2,-0.3 -11,-3.1 17,-0.1 2,-0.4 -0.407 41.6-144.6 -71.4 151.4 6.6 -4.2 61.9 230 255 A T E -EF 217 245B 1 15,-2.8 15,-2.7 -13,-0.3 2,-0.3 -0.983 7.0-138.7-122.9 131.0 9.7 -2.1 62.9 231 256 A Y E -EF 216 244B 54 -15,-2.9 -15,-1.9 -2,-0.4 2,-0.4 -0.678 25.6-164.8 -82.1 139.3 13.3 -3.2 62.4 232 257 A I E -EF 215 243B 0 11,-2.9 11,-2.2 -2,-0.3 2,-0.5 -0.975 23.1-170.7-130.1 134.5 15.6 -2.4 65.4 233 258 A A E -EF 214 242B 0 -19,-2.5 -19,-3.2 -2,-0.4 2,-0.5 -0.993 23.1-165.4-113.0 131.5 19.3 -2.2 66.0 234 259 A E E -EF 213 241B 13 7,-2.8 7,-2.3 -2,-0.5 2,-0.6 -0.964 14.6-160.2-120.5 126.7 19.9 -1.8 69.7 235 260 A L E +EF 212 240B 1 -23,-2.3 -23,-2.1 -2,-0.5 2,-0.3 -0.926 29.2 153.2 -98.7 126.3 23.2 -0.8 71.4 236 261 A K E > -EF 211 239B 72 3,-3.4 3,-2.0 -2,-0.6 -25,-0.2 -0.933 63.7 -3.2-154.7 132.8 23.2 -1.8 75.1 237 262 A N T 3 S- 0 0 152 -27,-0.7 3,-0.1 -2,-0.3 -26,-0.1 0.861 128.6 -57.4 57.2 37.3 26.1 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