==== 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 LYASE 23-MAY-08 3D8N . COMPND 2 MOLECULE: UROPORPHYRINOGEN-III SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR H.L.SCHUBERT . 249 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12964.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 2.0 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 . 11 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 35.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.8 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 1 0 1 3 3 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 3 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 98 0, 0.0 23,-2.9 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 121.6 19.0 17.1 23.0 2 2 A R E -a 24 0A 91 21,-0.2 175,-2.5 23,-0.1 176,-1.7 -0.806 360.0-170.2 -89.0 110.5 15.7 16.4 24.7 3 3 A I E -ab 25 178A 0 21,-2.1 23,-2.6 -2,-0.7 2,-0.3 -0.929 7.5-154.9-111.5 118.9 14.1 13.5 22.9 4 4 A A E -ab 26 179A 0 174,-2.7 176,-3.4 -2,-0.6 2,-0.5 -0.723 6.6-148.2 -89.5 138.5 10.5 12.5 23.7 5 5 A Y E -ab 27 180A 5 21,-2.4 23,-2.4 -2,-0.3 176,-0.2 -0.957 9.9-167.9-111.3 123.1 9.4 8.9 23.1 6 6 A A + 0 0 0 174,-2.6 24,-1.5 -2,-0.5 25,-0.4 0.414 58.6 103.5 -87.6 0.5 5.8 8.4 22.0 7 7 A G - 0 0 0 173,-0.3 -2,-0.1 22,-0.2 21,-0.1 -0.194 51.6-165.1 -82.9 170.8 6.0 4.7 22.6 8 8 A L S > S+ 0 0 38 21,-0.1 3,-0.9 20,-0.1 -1,-0.1 0.687 75.6 54.7-121.4 -47.4 4.8 2.6 25.5 9 9 A R T 3 S+ 0 0 243 1,-0.2 3,-0.4 2,-0.1 4,-0.1 0.965 115.3 29.0 -60.3 -62.9 6.4 -0.8 25.4 10 10 A R T 3> S+ 0 0 137 1,-0.2 4,-2.8 2,-0.1 -1,-0.2 -0.028 77.6 127.1 -95.8 31.4 10.2 -0.2 25.4 11 11 A K H <> S+ 0 0 58 -3,-0.9 4,-2.3 1,-0.2 -1,-0.2 0.865 75.8 47.3 -63.3 -36.0 10.1 3.1 27.3 12 12 A E H > S+ 0 0 169 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.834 112.9 49.5 -70.1 -35.4 12.7 2.0 29.9 13 13 A E H > S+ 0 0 87 -3,-0.2 4,-2.1 2,-0.2 5,-0.2 0.900 111.7 49.5 -66.1 -44.2 15.0 0.6 27.2 14 14 A F H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.918 110.5 49.7 -59.4 -49.8 14.7 3.9 25.3 15 15 A K H X S+ 0 0 103 -4,-2.3 4,-2.2 -5,-0.2 5,-0.2 0.932 112.0 48.0 -54.4 -51.6 15.5 5.9 28.5 16 16 A A H X S+ 0 0 33 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.893 116.3 41.9 -59.9 -43.7 18.6 3.9 29.2 17 17 A L H X S+ 0 0 49 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.909 111.6 54.0 -76.0 -43.4 20.0 4.0 25.7 18 18 A A H <>S+ 0 0 0 -4,-2.7 5,-2.7 -5,-0.2 3,-0.5 0.906 109.0 50.0 -51.3 -49.7 19.2 7.7 25.1 19 19 A E H ><5S+ 0 0 107 -4,-2.2 3,-1.6 -5,-0.2 -1,-0.2 0.934 108.6 52.7 -55.0 -48.3 21.1 8.6 28.3 20 20 A K H 3<5S+ 0 0 171 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.746 108.1 51.6 -60.6 -23.2 24.1 6.5 27.2 21 21 A L T 3<5S- 0 0 35 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.340 125.2 -98.9 -99.3 4.9 24.2 8.4 23.9 22 22 A G T < 5S+ 0 0 58 -3,-1.6 2,-0.2 1,-0.3 -3,-0.2 0.697 80.8 127.2 89.0 22.0 24.2 11.8 25.5 23 23 A F < - 0 0 15 -5,-2.7 -1,-0.3 -6,-0.2 -21,-0.2 -0.665 61.7-125.0-104.3 164.6 20.5 12.7 25.2 24 24 A T E -a 2 0A 77 -23,-2.9 -21,-2.1 -2,-0.2 2,-0.2 -0.921 34.2-151.2-102.5 99.9 17.9 13.8 27.7 25 25 A P E -a 3 0A 24 0, 0.0 2,-0.4 0, 0.0 -21,-0.2 -0.521 12.8-170.3 -74.3 142.8 15.1 11.2 27.3 26 26 A L E -a 4 0A 54 -23,-2.6 -21,-2.4 -2,-0.2 2,-0.7 -0.998 15.5-140.7-131.2 131.0 11.4 12.2 28.0 27 27 A L E +a 5 0A 67 -2,-0.4 -21,-0.1 -23,-0.2 -23,-0.1 -0.808 31.8 158.2 -99.2 111.6 8.6 9.7 28.1 28 28 A F - 0 0 40 -23,-2.4 -1,-0.1 -2,-0.7 -20,-0.1 -0.620 19.5-169.1-128.2 71.7 5.3 10.9 26.6 29 29 A P - 0 0 23 0, 0.0 -22,-0.2 0, 0.0 138,-0.1 -0.352 11.0-169.0 -63.1 142.7 3.3 7.8 25.6 30 30 A V + 0 0 0 -24,-1.5 130,-2.6 2,-0.1 2,-0.4 0.427 64.7 77.4-110.4 -6.6 0.2 8.6 23.5 31 31 A Q B S-E 159 0B 32 -25,-0.4 2,-0.2 128,-0.3 129,-0.1 -0.863 80.6-121.5-104.5 143.4 -1.4 5.1 23.8 32 32 A A - 0 0 29 126,-2.7 126,-0.4 -2,-0.4 128,-0.1 -0.494 13.3-132.7 -76.3 148.5 -3.3 3.9 26.8 33 33 A T S S+ 0 0 125 -2,-0.2 2,-0.3 124,-0.1 -1,-0.1 0.850 86.5 85.0 -69.4 -34.0 -2.1 0.8 28.6 34 34 A E - 0 0 123 123,-0.0 124,-0.4 2,-0.0 2,-0.3 -0.527 62.5-164.1 -73.3 126.0 -5.7 -0.5 28.6 35 35 A K - 0 0 73 -2,-0.3 122,-0.2 122,-0.1 -2,-0.0 -0.792 15.8-138.0 -95.3 151.1 -6.9 -2.3 25.6 36 36 A V E -F 156 0C 35 120,-1.6 120,-1.6 -2,-0.3 -2,-0.0 -0.968 16.7-123.2-113.6 126.7 -10.7 -2.7 25.3 37 37 A P E -F 155 0C 92 0, 0.0 118,-0.3 0, 0.0 3,-0.1 -0.297 19.8-122.3 -61.9 147.7 -12.1 -6.1 24.2 38 38 A V > - 0 0 8 116,-2.3 3,-1.8 1,-0.2 4,-0.4 -0.855 18.2-147.5 -93.3 115.6 -14.4 -6.1 21.2 39 39 A P T 3 S+ 0 0 94 0, 0.0 3,-0.5 0, 0.0 4,-0.3 0.849 94.0 49.7 -54.8 -41.7 -17.7 -7.7 22.4 40 40 A E T 3> S+ 0 0 82 1,-0.2 4,-2.1 2,-0.1 5,-0.2 0.503 83.5 97.7 -76.1 -5.6 -18.6 -9.3 19.0 41 41 A Y H <> S+ 0 0 28 -3,-1.8 4,-2.5 1,-0.2 5,-0.2 0.900 80.1 49.3 -57.9 -49.9 -15.2 -10.9 18.6 42 42 A R H > S+ 0 0 124 -3,-0.5 4,-2.2 -4,-0.4 -1,-0.2 0.918 112.9 49.9 -52.7 -44.3 -16.0 -14.4 20.0 43 43 A D H > S+ 0 0 96 -4,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.848 109.7 51.6 -61.1 -38.4 -19.1 -14.4 17.6 44 44 A Q H X S+ 0 0 24 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.889 108.9 48.9 -68.6 -40.4 -16.9 -13.4 14.7 45 45 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.910 110.2 52.3 -64.5 -42.0 -14.4 -16.2 15.3 46 46 A R H < S+ 0 0 115 -4,-2.2 4,-0.3 -5,-0.2 -2,-0.2 0.904 109.9 49.4 -58.6 -39.2 -17.3 -18.6 15.5 47 47 A E H >< S+ 0 0 69 -4,-1.9 3,-1.7 1,-0.2 -2,-0.2 0.910 106.8 54.8 -64.3 -42.8 -18.5 -17.3 12.1 48 48 A L H >< S+ 0 0 0 -4,-2.4 3,-2.4 1,-0.3 -2,-0.2 0.916 100.2 61.4 -52.3 -46.8 -15.0 -17.7 10.7 49 49 A A T 3< S+ 0 0 20 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.625 93.1 65.9 -56.3 -17.9 -15.2 -21.4 11.8 50 50 A Q T < S- 0 0 170 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.471 120.8 -87.3 -86.5 -2.4 -18.2 -21.7 9.4 51 51 A G < - 0 0 38 -3,-2.4 2,-0.3 -4,-0.2 -1,-0.2 0.291 42.0-154.2 103.1 132.0 -16.1 -21.2 6.3 52 52 A V - 0 0 13 28,-0.3 74,-0.1 1,-0.1 3,-0.1 -0.905 17.5-137.3-132.0 163.6 -15.0 -18.0 4.4 53 53 A D S S+ 0 0 86 72,-2.1 32,-2.6 -2,-0.3 2,-0.3 0.925 89.3 21.6 -88.6 -48.7 -13.9 -17.3 0.8 54 54 A L E -gh 85 126D 3 71,-1.9 73,-2.7 30,-0.2 2,-0.4 -0.874 62.8-164.5-114.4 150.6 -10.9 -15.0 1.5 55 55 A F E -gh 86 127D 2 30,-2.4 32,-2.8 -2,-0.3 2,-0.5 -0.985 6.7-165.0-131.0 125.7 -8.8 -14.7 4.6 56 56 A L E -gh 87 128D 0 71,-3.0 73,-3.3 -2,-0.4 2,-0.4 -0.961 1.8-162.6-115.5 125.3 -6.5 -11.7 5.0 57 57 A A E +g 88 0D 0 30,-2.9 32,-3.2 -2,-0.5 33,-0.2 -0.889 12.5 175.4-106.9 133.4 -3.7 -11.7 7.6 58 58 A T + 0 0 10 -2,-0.4 35,-0.3 71,-0.3 2,-0.3 0.783 63.9 22.8-107.1 -37.9 -2.1 -8.5 8.7 59 59 A T > - 0 0 44 34,-0.1 4,-1.9 33,-0.1 -1,-0.3 -0.934 61.0-133.5-133.6 154.4 0.3 -9.4 11.5 60 60 A G H > S+ 0 0 4 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.913 112.9 47.5 -70.6 -43.0 2.2 -12.5 12.7 61 61 A V H > S+ 0 0 88 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.895 111.4 52.3 -63.9 -41.9 1.2 -11.9 16.3 62 62 A G H > S+ 0 0 3 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.884 108.7 49.9 -60.6 -44.7 -2.4 -11.4 15.1 63 63 A V H X S+ 0 0 3 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.955 112.3 46.8 -57.3 -54.8 -2.4 -14.7 13.2 64 64 A R H X S+ 0 0 95 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.905 112.7 50.2 -51.8 -46.5 -1.0 -16.6 16.2 65 65 A D H X S+ 0 0 61 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.867 107.9 52.0 -67.4 -36.1 -3.6 -14.9 18.5 66 66 A L H X S+ 0 0 2 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.911 110.3 48.8 -62.4 -44.9 -6.5 -15.8 16.2 67 67 A L H X S+ 0 0 26 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.892 111.4 49.8 -63.6 -39.9 -5.4 -19.4 16.2 68 68 A E H X S+ 0 0 113 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.892 108.3 53.6 -62.5 -38.8 -5.1 -19.4 20.0 69 69 A A H X S+ 0 0 21 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.852 105.9 53.0 -64.6 -37.1 -8.6 -17.8 20.2 70 70 A G H <>S+ 0 0 1 -4,-1.9 5,-3.2 2,-0.2 4,-0.2 0.897 110.7 47.7 -64.9 -42.7 -10.0 -20.7 18.1 71 71 A K H ><5S+ 0 0 147 -4,-1.8 3,-1.4 3,-0.2 -2,-0.2 0.917 109.6 51.6 -61.1 -46.0 -8.5 -23.2 20.5 72 72 A A H 3<5S+ 0 0 90 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.801 112.7 47.1 -61.3 -31.7 -9.8 -21.4 23.6 73 73 A L T 3<5S- 0 0 51 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.418 114.2-119.2 -88.3 -0.4 -13.3 -21.5 21.9 74 74 A G T < 5 + 0 0 69 -3,-1.4 2,-0.2 -4,-0.2 -3,-0.2 0.793 66.1 140.4 63.7 34.7 -12.9 -25.2 21.0 75 75 A L < - 0 0 51 -5,-3.2 2,-0.8 -6,-0.1 -1,-0.2 -0.659 57.8-123.7-107.0 158.0 -13.3 -24.5 17.3 76 76 A D + 0 0 105 -2,-0.2 -5,-0.0 1,-0.2 0, 0.0 -0.899 40.5 156.6 -97.9 105.9 -11.6 -25.8 14.2 77 77 A L > + 0 0 7 -2,-0.8 4,-2.6 2,-0.1 5,-0.2 0.722 63.8 67.2 -95.0 -28.5 -10.1 -22.8 12.4 78 78 A E H > S+ 0 0 98 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.845 98.5 54.0 -66.1 -32.6 -7.4 -24.6 10.4 79 79 A G H > S+ 0 0 25 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.971 113.6 39.0 -62.1 -58.9 -10.0 -26.4 8.2 80 80 A P H > S+ 0 0 14 0, 0.0 4,-1.3 0, 0.0 -28,-0.3 0.900 118.5 50.5 -57.2 -43.5 -11.9 -23.3 7.1 81 81 A L H < S+ 0 0 3 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.823 104.5 57.6 -65.5 -32.6 -8.6 -21.5 6.8 82 82 A A H < S+ 0 0 58 -4,-2.0 -1,-0.2 1,-0.2 -3,-0.1 0.838 111.3 43.1 -64.4 -33.5 -7.1 -24.3 4.7 83 83 A K H < S+ 0 0 182 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.701 97.8 93.1 -86.5 -22.5 -10.0 -23.9 2.2 84 84 A A S < S- 0 0 2 -4,-1.3 2,-0.6 -5,-0.1 -30,-0.2 -0.276 85.1-112.4 -68.3 155.2 -9.9 -20.0 2.2 85 85 A F E -g 54 0D 80 -32,-2.6 -30,-2.4 19,-0.0 2,-0.4 -0.852 45.9-147.3 -85.4 121.4 -7.9 -18.1 -0.4 86 86 A R E -g 55 0D 15 -2,-0.6 19,-2.9 -32,-0.2 20,-1.3 -0.799 22.2-175.7-109.8 130.2 -5.2 -16.5 1.9 87 87 A L E -gi 56 106D 0 -32,-2.8 -30,-2.9 -2,-0.4 2,-0.5 -0.949 9.3-158.1-117.0 140.7 -3.5 -13.2 1.7 88 88 A A E -gi 57 107D 0 18,-2.7 20,-2.5 -2,-0.4 -30,-0.2 -0.979 11.2-150.4-114.4 127.7 -0.7 -12.0 4.0 89 89 A R S S- 0 0 49 -32,-3.2 21,-2.6 -2,-0.5 22,-0.4 0.881 77.8 -8.1 -62.3 -36.4 -0.1 -8.3 4.2 90 90 A G S > S- 0 0 8 -33,-0.2 4,-2.0 19,-0.2 19,-0.1 -0.788 83.3 -81.9-149.1-174.5 3.7 -8.8 5.0 91 91 A A H > S+ 0 0 78 -2,-0.2 4,-3.6 2,-0.2 5,-0.2 0.808 121.8 55.3 -70.0 -30.8 6.4 -11.4 5.7 92 92 A K H > S+ 0 0 155 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.936 111.6 42.9 -69.3 -46.7 5.6 -11.6 9.4 93 93 A A H > S+ 0 0 1 -35,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.897 117.0 50.3 -59.6 -41.7 1.9 -12.5 8.7 94 94 A A H X S+ 0 0 4 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.921 108.7 49.9 -63.9 -47.4 3.2 -14.8 6.0 95 95 A R H X S+ 0 0 150 -4,-3.6 4,-2.6 2,-0.2 -1,-0.2 0.909 110.5 50.8 -56.7 -46.0 5.7 -16.6 8.3 96 96 A A H X S+ 0 0 4 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.924 111.6 47.4 -60.8 -44.4 2.9 -17.1 10.9 97 97 A L H ><>S+ 0 0 2 -4,-2.2 5,-2.8 2,-0.2 3,-0.7 0.938 111.8 50.1 -60.8 -48.2 0.6 -18.6 8.3 98 98 A K H ><5S+ 0 0 115 -4,-2.9 3,-1.9 1,-0.2 -2,-0.2 0.923 108.5 52.6 -56.4 -46.9 3.4 -20.9 6.9 99 99 A E H 3<5S+ 0 0 119 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.714 106.7 53.4 -63.3 -21.3 4.2 -22.1 10.5 100 100 A A T <<5S- 0 0 22 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.383 122.7-106.5 -91.3 3.0 0.5 -23.0 11.0 101 101 A G T < 5S+ 0 0 59 -3,-1.9 -3,-0.2 -4,-0.2 -2,-0.1 0.718 96.4 106.7 77.3 23.0 0.6 -25.1 7.8 102 102 A L < - 0 0 6 -5,-2.8 -4,-0.2 -6,-0.2 -3,-0.1 -0.425 52.6-172.1-129.0 55.0 -1.5 -22.4 6.1 103 103 A P - 0 0 61 0, 0.0 -17,-0.2 0, 0.0 -8,-0.1 -0.207 28.8-110.3 -57.6 141.1 1.0 -20.7 3.7 104 104 A P - 0 0 17 0, 0.0 -17,-0.2 0, 0.0 3,-0.1 -0.277 10.3-145.3 -72.0 155.3 -0.5 -17.6 2.0 105 105 A H S S+ 0 0 101 -19,-2.9 2,-0.3 1,-0.3 -18,-0.2 0.701 87.2 22.9 -90.7 -22.8 -1.3 -17.5 -1.7 106 106 A A E -i 87 0D 17 -20,-1.3 -18,-2.7 -12,-0.0 2,-0.4 -0.992 67.5-165.2-142.6 146.4 -0.4 -13.9 -2.0 107 107 A V E -i 88 0D 65 -2,-0.3 -18,-0.2 -20,-0.2 -17,-0.1 -0.999 5.1-156.9-135.5 134.7 1.9 -11.6 0.0 108 108 A G - 0 0 19 -20,-2.5 4,-0.1 -2,-0.4 7,-0.1 -0.028 36.3 -97.2 -91.3-162.0 2.2 -7.8 0.1 109 109 A D S S- 0 0 119 2,-0.4 -19,-0.2 -19,-0.1 3,-0.1 0.230 71.8 -81.1-107.3 15.2 5.1 -5.6 1.2 110 110 A G S S+ 0 0 28 -21,-2.6 2,-0.4 1,-0.3 -20,-0.2 0.268 104.4 103.4 102.1 -7.7 3.9 -4.9 4.7 111 111 A T S > S- 0 0 44 -22,-0.4 3,-1.0 1,-0.1 4,-0.4 -0.886 73.1-134.4-111.5 140.8 1.5 -2.2 3.6 112 112 A S G >> S+ 0 0 22 -2,-0.4 3,-1.7 1,-0.2 4,-0.5 0.889 107.6 60.3 -52.6 -41.9 -2.2 -2.4 3.2 113 113 A K G >4 S+ 0 0 153 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.786 93.6 63.4 -57.1 -34.4 -1.9 -0.6 -0.2 114 114 A S G <4 S+ 0 0 24 -3,-1.0 -1,-0.3 1,-0.2 4,-0.2 0.623 96.3 60.4 -68.8 -13.5 0.3 -3.4 -1.5 115 115 A L G X> S+ 0 0 1 -3,-1.7 3,-1.1 -4,-0.4 4,-0.9 0.726 82.6 82.9 -85.1 -24.4 -2.6 -5.8 -1.2 116 116 A L G X< S+ 0 0 48 -3,-0.9 3,-1.1 -4,-0.5 -2,-0.1 0.888 92.9 43.2 -47.8 -55.4 -4.9 -3.9 -3.5 117 117 A P G 34 S+ 0 0 111 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.685 112.9 56.9 -65.2 -18.3 -3.5 -5.4 -6.8 118 118 A L G <4 S+ 0 0 65 -3,-1.1 -2,-0.2 -4,-0.2 -3,-0.1 0.575 81.7 103.3 -91.0 -13.1 -3.5 -8.9 -5.2 119 119 A L << - 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0 0 15 -2,-0.2 -22,-0.2 -24,-0.2 -112,-0.1 -0.948 24.0-175.1-114.8 108.3 -10.4 -7.6 15.8 154 154 A P + 0 0 15 0, 0.0 -116,-2.3 0, 0.0 2,-0.3 0.814 66.9 19.8 -74.1 -26.6 -10.1 -8.8 19.3 155 155 A Y E -F 37 0C 79 -24,-2.6 2,-0.5 -118,-0.3 -24,-0.1 -0.847 64.4-129.7-136.6 162.2 -9.1 -5.4 20.9 156 156 A R E -F 36 0C 106 -120,-1.6 -120,-1.6 -2,-0.3 2,-0.3 -0.990 22.2-138.3-115.1 123.5 -9.2 -1.7 20.4 157 157 A H - 0 0 60 -25,-2.8 -122,-0.1 -2,-0.5 -124,-0.1 -0.647 28.5-152.6 -69.6 138.1 -5.9 0.2 20.9 158 158 A L - 0 0 49 -124,-0.4 -126,-2.7 -126,-0.4 31,-0.0 -0.896 8.6-123.1-118.1 143.4 -6.9 3.4 22.8 159 159 A P B -E 31 0B 51 0, 0.0 -128,-0.3 0, 0.0 3,-0.1 -0.283 20.6-124.5 -70.0 164.7 -5.2 6.8 22.8 160 160 A D > - 0 0 42 -130,-2.6 4,-2.2 1,-0.2 5,-0.2 -0.879 29.5-167.0-105.0 94.0 -4.1 8.4 26.1 161 161 A P H > S+ 0 0 85 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.852 82.2 40.5 -54.5 -45.7 -6.1 11.6 25.8 162 162 A E H > S+ 0 0 141 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.881 114.3 54.7 -70.6 -36.1 -4.4 13.7 28.6 163 163 A G H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.848 107.3 49.8 -64.9 -38.0 -1.0 12.3 27.6 164 164 A I H X S+ 0 0 1 -4,-2.2 4,-3.3 2,-0.2 -1,-0.2 0.922 110.4 50.4 -62.0 -47.3 -1.4 13.5 24.0 165 165 A L H X S+ 0 0 42 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.893 111.7 48.3 -60.3 -40.5 -2.4 16.9 25.3 166 166 A R H X S+ 0 0 122 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.911 112.5 48.0 -67.0 -44.2 0.7 17.0 27.5 167 167 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.937 110.4 51.6 -61.7 -47.8 3.0 15.9 24.6 168 168 A E H X S+ 0 0 9 -4,-3.3 4,-2.7 1,-0.2 5,-0.2 0.944 110.7 48.7 -53.9 -47.6 1.4 18.5 22.3 169 169 A E H X S+ 0 0 83 -4,-2.2 4,-3.1 1,-0.2 6,-0.2 0.934 110.1 51.7 -57.8 -48.7 2.0 21.2 24.9 170 170 A A H <>S+ 0 0 2 -4,-2.4 5,-2.6 2,-0.2 6,-0.7 0.873 112.8 45.0 -54.9 -44.5 5.7 20.1 25.4 171 171 A V H ><5S+ 0 0 4 -4,-2.3 3,-0.9 3,-0.2 -1,-0.2 0.921 117.2 44.3 -63.8 -48.4 6.3 20.2 21.6 172 172 A L H 3<5S+ 0 0 66 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.824 112.3 52.1 -68.3 -33.8 4.6 23.6 21.2 173 173 A R T 3<5S- 0 0 166 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.325 114.2-113.2 -86.5 5.4 6.3 25.1 24.4 174 174 A G T < 5S+ 0 0 39 -3,-0.9 -3,-0.2 -5,-0.2 -4,-0.1 0.722 77.4 129.8 72.3 23.8 9.8 24.1 23.2 175 175 A E < + 0 0 84 -5,-2.6 2,-0.4 -6,-0.2 -4,-0.2 0.526 66.5 52.9 -84.4 -7.9 10.5 21.6 25.9 176 176 A V - 0 0 4 -6,-0.7 -173,-0.2 -5,-0.2 3,-0.1 -0.981 53.6-169.8-132.9 145.1 11.5 19.0 23.4 177 177 A D S S+ 0 0 37 -175,-2.5 32,-2.3 -2,-0.4 2,-0.3 0.711 79.7 14.0-100.0 -27.9 14.0 19.0 20.5 178 178 A A E -bc 3 209A 0 -176,-1.7 -174,-2.7 30,-0.3 2,-0.4 -0.987 60.9-151.3-149.0 152.4 13.0 15.7 18.9 179 179 A L E -bc 4 210A 0 30,-3.1 32,-2.8 -2,-0.3 2,-0.5 -0.960 11.8-152.1-136.1 115.0 10.1 13.3 19.0 180 180 A A E -bc 5 211A 0 -176,-3.4 -174,-2.6 -2,-0.4 2,-0.4 -0.785 9.5-171.3 -95.5 127.2 10.5 9.6 18.3 181 181 A F E + c 0 212A 0 30,-2.6 32,-2.2 -2,-0.5 3,-0.1 -0.938 9.8 178.9-112.2 133.9 7.5 7.6 16.9 182 182 A V + 0 0 41 -2,-0.4 2,-0.3 1,-0.2 35,-0.1 0.401 68.3 36.8-118.5 0.8 7.8 3.8 16.7 183 183 A A S >> S- 0 0 32 34,-0.1 3,-1.1 1,-0.1 4,-1.0 -0.984 73.8-126.4-148.7 146.6 4.4 2.9 15.3 184 184 A A H 3> S+ 0 0 11 -2,-0.3 4,-2.0 1,-0.2 3,-0.2 0.815 109.1 65.3 -57.6 -33.0 2.1 4.6 12.8 185 185 A I H 3> S+ 0 0 18 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.788 94.9 58.4 -63.3 -28.3 -0.7 4.5 15.5 186 186 A Q H <> S+ 0 0 5 -3,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.905 105.6 48.6 -67.7 -42.0 1.2 6.9 17.7 187 187 A V H X S+ 0 0 0 -4,-1.0 4,-2.4 -3,-0.2 5,-0.3 0.955 113.7 47.6 -58.5 -51.6 1.2 9.5 14.9 188 188 A E H X S+ 0 0 33 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.932 111.7 48.9 -54.8 -54.0 -2.6 8.9 14.4 189 189 A F H X S+ 0 0 16 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.926 112.9 48.6 -51.9 -51.3 -3.3 9.2 18.2 190 190 A L H X S+ 0 0 0 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.922 116.6 39.1 -58.7 -51.5 -1.2 12.4 18.5 191 191 A F H < S+ 0 0 4 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.852 117.2 50.3 -74.1 -31.4 -2.8 14.3 15.5 192 192 A E H < S+ 0 0 137 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.719 117.8 40.9 -69.3 -25.6 -6.3 13.0 16.2 193 193 A G H < S+ 0 0 24 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.508 88.6 113.8-101.4 -8.9 -6.0 14.1 19.9 194 194 A A < - 0 0 14 -4,-1.0 -29,-0.1 1,-0.1 -3,-0.0 -0.337 57.1-150.1 -67.1 141.2 -4.2 17.4 19.4 195 195 A K S S+ 0 0 161 1,-0.2 -1,-0.1 -30,-0.1 -30,-0.0 0.885 98.7 26.8 -71.1 -42.2 -6.0 20.6 20.3 196 196 A D > + 0 0 81 1,-0.1 4,-2.6 2,-0.1 -1,-0.2 -0.696 67.2 168.2-123.8 77.6 -4.0 22.5 17.6 197 197 A P H > S+ 0 0 44 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.805 79.1 55.3 -63.2 -29.5 -3.0 20.1 14.8 198 198 A K H > S+ 0 0 151 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.898 111.8 42.7 -66.3 -43.4 -1.9 22.9 12.5 199 199 A A H > S+ 0 0 23 -3,-0.2 4,-2.7 2,-0.2 5,-0.2 0.920 114.1 52.3 -65.9 -44.9 0.4 24.4 15.1 200 200 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.936 109.5 48.4 -58.6 -50.7 1.7 20.9 16.0 201 201 A R H X S+ 0 0 66 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.914 111.3 51.0 -51.3 -48.5 2.4 20.1 12.3 202 202 A E H >X S+ 0 0 129 -4,-1.8 4,-1.6 1,-0.2 3,-0.8 0.938 110.9 48.5 -56.9 -49.1 4.3 23.4 11.9 203 203 A A H 3X>S+ 0 0 10 -4,-2.7 5,-3.1 1,-0.3 4,-2.4 0.907 110.8 49.1 -57.1 -48.0 6.4 22.7 15.0 204 204 A L H 3<5S+ 0 0 4 -4,-2.4 6,-0.6 1,-0.2 -1,-0.3 0.618 115.3 46.8 -71.6 -12.5 7.3 19.2 13.9 205 205 A N H <<5S+ 0 0 71 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.688 130.5 15.1 -93.5 -24.2 8.3 20.7 10.5 206 206 A T H <5S+ 0 0 112 -4,-1.6 -3,-0.2 -3,-0.3 -2,-0.2 0.750 134.5 17.7-121.9 -39.1 10.3 23.6 11.7 207 207 A R T <5S+ 0 0 204 -4,-2.4 2,-0.5 -5,-0.3 -3,-0.2 0.774 113.6 51.9-114.6 -40.4 11.4 23.4 15.4 208 208 A V S S- 0 0 5 18,-2.1 4,-2.2 -2,-1.0 19,-0.2 0.017 81.0 -97.3 110.6 149.1 10.0 2.3 10.0 215 215 A R H > S+ 0 0 86 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.866 121.1 56.9 -63.7 -36.8 8.7 3.4 6.6 216 216 A V H > S+ 0 0 73 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.921 109.4 45.7 -62.7 -44.9 5.1 2.8 7.8 217 217 A T H > S+ 0 0 7 -4,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.920 112.6 51.2 -60.6 -46.9 5.6 5.2 10.7 218 218 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.890 107.6 52.9 -59.0 -39.8 7.3 7.7 8.3 219 219 A D H X S+ 0 0 69 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.839 105.8 54.2 -65.2 -33.8 4.3 7.5 5.9 220 220 A A H X S+ 0 0 3 -4,-1.5 4,-1.1 2,-0.2 -1,-0.2 0.916 108.3 48.9 -66.8 -42.5 1.8 8.3 8.7 221 221 A L H ><>S+ 0 0 0 -4,-1.9 5,-2.1 1,-0.2 3,-1.1 0.961 111.3 50.6 -59.0 -49.4 3.8 11.4 9.5 222 222 A R H ><5S+ 0 0 145 -4,-2.4 3,-1.8 1,-0.3 -2,-0.2 0.862 103.7 57.3 -57.9 -40.3 3.8 12.4 5.8 223 223 A E H 3<5S+ 0 0 125 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.757 106.2 52.1 -60.9 -26.4 0.0 11.9 5.5 224 224 A W T <<5S- 0 0 65 -3,-1.1 -1,-0.3 -4,-1.1 -2,-0.2 0.302 126.4-102.0 -92.7 9.6 -0.3 14.5 8.4 225 225 A G T < 5S+ 0 0 38 -3,-1.8 2,-0.5 1,-0.3 -3,-0.2 0.652 81.8 130.1 83.8 16.9 1.8 17.0 6.5 226 226 A V < - 0 0 2 -5,-2.1 -1,-0.3 -6,-0.2 -2,-0.2 -0.914 49.0-148.9-107.1 124.8 5.0 16.3 8.6 227 227 A K - 0 0 155 -2,-0.5 -17,-0.4 -3,-0.1 -9,-0.0 -0.822 25.7-126.8 -90.0 115.1 8.3 15.6 6.9 228 228 A P - 0 0 8 0, 0.0 -17,-0.2 0, 0.0 3,-0.1 -0.342 6.8-148.0 -63.0 140.8 10.3 13.2 9.2 229 229 A F S S+ 0 0 87 -19,-2.6 2,-0.3 1,-0.3 -18,-0.2 0.854 84.1 9.1 -71.5 -39.5 13.8 14.5 10.1 230 230 A Y E -d 211 0A 54 -20,-1.2 -18,-2.7 2,-0.0 2,-0.4 -0.997 64.8-163.5-145.4 139.0 15.2 10.9 10.3 231 231 A V E -d 212 0A 28 -2,-0.3 2,-0.8 -20,-0.2 -18,-0.2 -0.994 10.3-150.8-125.7 123.9 13.7 7.6 9.3 232 232 A D E > +d 213 0A 1 -20,-3.3 -18,-2.1 -2,-0.4 3,-0.6 -0.856 15.1 177.8 -92.8 108.9 15.2 4.3 10.5 233 233 A E T 3 S+ 0 0 128 -2,-0.8 -1,-0.1 1,-0.2 -20,-0.1 0.059 75.8 75.1 -95.2 20.0 14.4 1.7 7.9 234 234 A T T 3 S- 0 0 89 2,-0.2 -1,-0.2 -20,-0.0 3,-0.1 0.533 97.8-140.6 -93.8 -17.4 16.3 -0.9 10.0 235 235 A E < + 0 0 118 -3,-0.6 2,-0.4 1,-0.2 -2,-0.1 0.740 57.7 122.9 62.9 32.3 13.2 -0.8 12.1 236 236 A R > - 0 0 160 1,-0.1 4,-2.2 0, 0.0 -1,-0.2 -0.979 60.3-143.2-122.2 134.8 15.0 -1.0 15.5 237 237 A L H > S+ 0 0 14 -2,-0.4 4,-1.8 2,-0.2 5,-0.1 0.881 104.7 53.2 -56.1 -42.3 14.8 1.6 18.3 238 238 A G H > S+ 0 0 16 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.920 109.7 47.5 -60.7 -45.3 18.5 1.1 19.1 239 239 A S H > S+ 0 0 33 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.869 107.7 55.9 -64.5 -41.6 19.4 1.8 15.5 240 240 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.893 108.5 48.5 -57.0 -42.8 17.2 4.9 15.3 241 241 A L H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.931 115.6 41.9 -68.3 -44.4 19.0 6.4 18.3 242 242 A Q H X S+ 0 0 129 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.946 118.1 48.0 -63.8 -47.9 22.5 5.7 16.9 243 243 A G H X S+ 0 0 18 -4,-3.4 4,-2.1 1,-0.2 -2,-0.2 0.845 110.3 51.0 -61.9 -39.2 21.4 6.9 13.4 244 244 A F H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.884 103.7 59.0 -63.8 -42.4 19.8 10.0 14.7 245 245 A K H X S+ 0 0 98 -4,-1.9 4,-1.2 -5,-0.2 -2,-0.2 0.931 111.3 41.3 -53.6 -44.2 22.9 11.0 16.7 246 246 A R H < S+ 0 0 217 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.912 111.4 54.9 -69.9 -43.9 24.9 11.0 13.4 247 247 A A H < S+ 0 0 46 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.868 103.9 57.5 -57.0 -40.1 22.2 12.7 11.3 248 248 A L H < 0 0 54 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.933 360.0 360.0 -56.2 -51.5 22.1 15.6 13.8 249 249 A Q < 0 0 210 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.923 360.0 360.0 -73.6 360.0 25.8 16.5 13.5