==== 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 3D8S . COMPND 2 MOLECULE: UROPORPHYRINOGEN-III SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR H.L.SCHUBERT . 250 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12338.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 15.2 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 . 21 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 34.8 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 1 1 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 2 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 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 T 0 0 140 0, 0.0 2,-0.7 0, 0.0 23,-0.1 0.000 360.0 360.0 360.0 114.6 17.5 -20.5 -23.7 2 1 A M E -a 24 0A 60 21,-0.6 23,-3.4 2,-0.0 2,-0.8 -0.923 360.0-161.2 -99.5 114.8 17.4 -18.6 -20.4 3 2 A R E -a 25 0A 68 -2,-0.7 175,-2.9 21,-0.2 176,-1.8 -0.861 9.6-169.3-100.2 105.5 19.5 -15.5 -20.7 4 3 A I E -ab 26 179A 0 21,-1.8 23,-2.1 -2,-0.8 2,-0.4 -0.867 10.7-149.4-104.4 119.0 20.4 -14.3 -17.2 5 4 A A E -ab 27 180A 0 174,-2.9 176,-3.2 -2,-0.6 2,-0.6 -0.715 9.7-150.1 -84.0 132.2 22.0 -10.9 -16.8 6 5 A Y E -ab 28 181A 3 21,-3.1 23,-2.6 -2,-0.4 176,-0.2 -0.932 13.3-174.9-108.2 118.5 24.3 -10.6 -13.8 7 6 A A + 0 0 0 174,-2.4 24,-0.9 -2,-0.6 25,-0.2 0.398 49.0 108.2 -90.2 -3.1 24.5 -7.1 -12.2 8 7 A G - 0 0 0 173,-0.3 21,-0.1 22,-0.2 -2,-0.1 -0.326 60.5-145.2 -80.5 161.2 27.2 -7.9 -9.6 9 8 A L S S+ 0 0 34 21,-0.1 3,-0.4 -2,-0.1 2,-0.2 0.849 80.0 47.8 -89.9 -40.4 30.8 -6.8 -9.6 10 9 A R S S+ 0 0 166 1,-0.2 -2,-0.1 2,-0.1 0, 0.0 -0.480 99.7 34.4 -99.3 168.5 32.5 -9.9 -8.1 11 10 A R > + 0 0 94 -2,-0.2 4,-2.7 3,-0.1 -1,-0.2 0.743 66.8 143.6 59.7 29.8 32.2 -13.6 -8.9 12 11 A K H > S+ 0 0 71 -3,-0.4 4,-2.3 2,-0.2 5,-0.1 0.937 74.4 45.0 -58.7 -52.7 31.7 -12.9 -12.7 13 12 A E H > S+ 0 0 172 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.884 114.4 50.4 -57.9 -43.3 33.7 -16.0 -13.7 14 13 A E H > S+ 0 0 79 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.887 109.8 49.7 -64.5 -43.6 31.8 -18.0 -11.0 15 14 A F H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.917 111.5 49.1 -59.0 -46.5 28.4 -16.8 -12.3 16 15 A K H X S+ 0 0 93 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.924 112.2 47.7 -62.4 -45.3 29.3 -17.7 -15.9 17 16 A A H X S+ 0 0 63 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.888 113.5 47.0 -62.7 -44.2 30.5 -21.2 -15.0 18 17 A L H X S+ 0 0 33 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.872 108.6 56.0 -68.3 -38.3 27.4 -21.9 -12.8 19 18 A A H ><>S+ 0 0 0 -4,-2.3 5,-2.7 1,-0.2 3,-0.7 0.965 110.5 43.0 -56.7 -53.4 25.0 -20.6 -15.5 20 19 A E H 3<5S+ 0 0 135 -4,-2.0 3,-0.5 1,-0.3 -1,-0.2 0.782 108.4 59.4 -67.3 -28.6 26.4 -23.0 -18.2 21 20 A K H 3<5S+ 0 0 157 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.828 113.6 39.3 -62.0 -34.0 26.4 -25.9 -15.7 22 21 A L T <<5S- 0 0 9 -4,-1.4 -2,-0.2 -3,-0.7 -1,-0.2 0.320 123.7-101.5-101.6 4.3 22.7 -25.3 -15.3 23 22 A G T 5S+ 0 0 61 -3,-0.5 -21,-0.6 -4,-0.4 2,-0.2 0.720 76.8 129.8 85.0 24.2 21.9 -24.6 -19.0 24 23 A F E < -a 2 0A 13 -5,-2.7 -1,-0.3 -6,-0.2 -21,-0.2 -0.691 59.0-122.9-106.7 161.3 21.7 -20.8 -19.0 25 24 A T E -a 3 0A 65 -23,-3.4 -21,-1.8 -2,-0.2 2,-0.2 -0.911 30.8-146.9-102.9 106.4 23.2 -18.1 -21.0 26 25 A P E -a 4 0A 18 0, 0.0 2,-0.4 0, 0.0 -21,-0.2 -0.503 15.8-174.1 -75.8 138.8 25.1 -15.7 -18.7 27 26 A L E -a 5 0A 48 -23,-2.1 -21,-3.1 -2,-0.2 2,-0.6 -0.994 17.4-138.1-132.9 138.8 25.4 -12.0 -19.6 28 27 A L E +a 6 0A 58 -2,-0.4 -21,-0.2 -23,-0.2 -23,-0.1 -0.889 32.0 157.5-106.9 116.7 27.4 -9.5 -17.6 29 28 A F - 0 0 43 -23,-2.6 -20,-0.1 -2,-0.6 -1,-0.0 -0.607 17.7-171.7-136.5 76.3 25.9 -6.2 -16.9 30 29 A P - 0 0 26 0, 0.0 138,-0.2 0, 0.0 -22,-0.2 -0.317 8.9-168.8 -68.4 152.5 27.6 -4.5 -13.8 31 30 A V + 0 0 0 -24,-0.9 130,-2.3 133,-0.1 2,-0.3 0.328 57.0 78.2-124.4 2.4 26.0 -1.3 -12.5 32 31 A Q B -E 160 0B 19 128,-0.3 129,-0.1 -25,-0.2 155,-0.0 -0.905 69.5-133.2-124.6 151.4 28.6 0.1 -10.0 33 32 A A - 0 0 48 126,-2.8 -1,-0.1 -2,-0.3 125,-0.0 0.603 61.0 -83.8 -70.6 -21.4 31.9 2.0 -10.5 34 33 A T S S- 0 0 98 125,-0.4 2,-0.1 1,-0.1 124,-0.0 0.734 70.6 -8.2 62.3 123.0 34.2 -0.0 -8.1 35 34 A E S S- 0 0 98 2,-0.0 2,-0.7 122,-0.0 124,-0.4 0.429 70.4 -53.7-130.9-118.1 34.6 0.2 -5.3 36 35 A K - 0 0 114 122,-0.1 122,-0.2 120,-0.1 97,-0.0 -0.655 37.2-165.1 -78.8 112.5 34.4 1.5 -1.7 37 36 A V E -F 157 0C 57 120,-2.4 120,-3.5 -2,-0.7 2,-0.1 -0.875 24.6-125.2 -89.7 127.0 35.4 5.2 -1.4 38 37 A P E -F 156 0C 83 0, 0.0 118,-0.2 0, 0.0 3,-0.1 -0.472 10.2-136.1 -67.0 143.3 36.0 6.1 2.2 39 38 A V > - 0 0 12 116,-2.6 3,-1.8 1,-0.2 4,-0.1 -0.900 17.8-167.2 -99.2 100.9 34.0 9.0 3.5 40 39 A P T > S+ 0 0 108 0, 0.0 3,-0.7 0, 0.0 4,-0.3 0.881 83.5 58.5 -58.3 -40.4 36.7 10.9 5.6 41 40 A E T 3> S+ 0 0 98 1,-0.2 4,-1.7 2,-0.1 5,-0.2 0.353 76.0 103.7 -73.3 6.2 34.1 13.1 7.3 42 41 A Y H <> S+ 0 0 28 -3,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.845 80.4 49.1 -33.2 -47.4 32.3 10.1 8.8 43 42 A R H <> S+ 0 0 148 -3,-0.7 4,-1.9 1,-0.4 -1,-0.2 0.806 107.6 51.0-115.2 -40.3 33.7 10.6 12.0 44 43 A D H > S+ 0 0 94 -4,-0.3 4,-1.7 2,-0.2 -1,-0.4 0.733 106.5 57.8 -60.0 -33.5 32.9 14.3 12.2 45 44 A Q H X S+ 0 0 36 -4,-1.7 4,-2.0 2,-0.2 -2,-0.3 0.862 106.4 48.7 -65.6 -37.7 29.2 13.5 11.2 46 45 A V H X S+ 0 0 0 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.893 109.1 52.9 -70.7 -40.0 29.1 11.2 14.3 47 46 A R H < S+ 0 0 95 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.866 109.9 48.9 -59.8 -37.8 30.5 14.0 16.4 48 47 A E H >< S+ 0 0 72 -4,-1.7 3,-1.3 1,-0.2 4,-0.2 0.876 106.0 55.8 -70.1 -39.3 27.8 16.3 15.1 49 48 A L H >< S+ 0 0 0 -4,-2.0 3,-2.1 1,-0.3 -1,-0.2 0.862 99.4 61.6 -59.6 -36.1 25.1 13.7 15.9 50 49 A A T 3< S+ 0 0 20 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.659 87.9 71.9 -66.8 -17.2 26.3 13.7 19.5 51 50 A Q T < S- 0 0 163 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.647 120.0 -93.9 -70.3 -14.3 25.4 17.4 19.7 52 51 A G < - 0 0 37 -3,-2.1 2,-0.3 -4,-0.2 -1,-0.2 0.106 41.3-150.2 112.2 138.9 21.7 16.1 19.7 53 52 A V - 0 0 15 28,-0.2 74,-0.1 1,-0.1 3,-0.1 -0.937 17.9-141.2-138.2 165.9 19.0 15.5 17.0 54 53 A D S S+ 0 0 89 72,-2.2 32,-2.6 -2,-0.3 2,-0.3 0.804 88.7 23.3 -95.0 -33.6 15.3 15.5 16.7 55 54 A L E -gh 86 127D 0 71,-2.2 73,-2.6 30,-0.3 2,-0.4 -0.986 59.3-165.1-135.9 141.8 14.9 12.5 14.5 56 55 A F E -gh 87 128D 1 30,-2.7 32,-2.7 -2,-0.3 2,-0.5 -0.996 6.4-168.9-127.3 125.8 17.0 9.4 13.7 57 56 A L E -gh 88 129D 0 71,-2.6 73,-2.6 -2,-0.4 2,-0.4 -0.969 5.0-165.1-117.1 118.5 16.3 7.2 10.7 58 57 A A E +g 89 0D 0 30,-2.8 32,-2.4 -2,-0.5 33,-0.3 -0.853 14.0 175.4-104.1 136.1 18.1 3.9 10.5 59 58 A T + 0 0 8 -2,-0.4 2,-0.3 71,-0.4 35,-0.3 0.720 64.3 31.2-110.8 -30.4 18.2 1.9 7.2 60 59 A T > - 0 0 32 1,-0.1 4,-1.6 33,-0.1 -1,-0.2 -0.949 62.1-135.1-132.2 150.4 20.4 -1.1 8.0 61 60 A G H > S+ 0 0 4 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.944 111.7 49.7 -62.7 -48.0 21.3 -3.3 11.0 62 61 A V H > S+ 0 0 97 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.899 108.9 52.8 -57.5 -43.2 25.0 -3.1 10.1 63 62 A G H > S+ 0 0 9 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.853 108.6 49.0 -63.3 -39.3 24.8 0.7 9.8 64 63 A V H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.929 113.6 47.1 -63.2 -46.9 23.2 1.1 13.3 65 64 A R H X S+ 0 0 109 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.900 112.5 49.3 -63.0 -42.4 25.9 -1.2 14.8 66 65 A D H X S+ 0 0 74 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.937 112.4 48.1 -59.8 -51.7 28.7 0.7 13.0 67 66 A L H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.909 113.1 46.4 -56.2 -47.1 27.4 4.1 14.1 68 67 A L H X S+ 0 0 23 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.921 114.1 48.1 -67.7 -44.0 27.0 3.1 17.8 69 68 A E H X S+ 0 0 134 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.900 111.1 50.7 -58.3 -46.7 30.4 1.4 17.9 70 69 A A H X S+ 0 0 19 -4,-2.8 4,-2.3 2,-0.2 6,-0.2 0.933 108.1 54.3 -59.4 -46.0 32.0 4.5 16.3 71 70 A G H <>S+ 0 0 0 -4,-2.5 5,-2.6 -5,-0.2 -2,-0.2 0.938 113.4 40.1 -49.2 -54.6 30.3 6.7 18.9 72 71 A K H ><5S+ 0 0 134 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.891 113.4 54.7 -65.5 -41.7 31.8 4.7 21.8 73 72 A A H 3<5S+ 0 0 84 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.830 108.8 50.2 -58.2 -34.5 35.2 4.4 20.1 74 73 A L T 3<5S- 0 0 43 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.331 117.6-111.9 -88.0 6.0 35.2 8.2 19.8 75 74 A G T < 5S+ 0 0 70 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.758 71.6 140.4 70.7 25.0 34.4 8.8 23.4 76 75 A L < - 0 0 47 -5,-2.6 2,-0.8 -6,-0.2 -1,-0.2 -0.680 56.7-128.8-100.2 152.3 31.0 10.2 22.6 77 76 A D + 0 0 102 -2,-0.3 -5,-0.0 1,-0.2 -6,-0.0 -0.887 41.8 152.2 -94.0 104.2 27.5 9.8 24.2 78 77 A L > + 0 0 9 -2,-0.8 4,-2.9 -10,-0.1 5,-0.2 0.731 67.0 63.4 -96.0 -33.5 25.2 8.8 21.3 79 78 A E H > S+ 0 0 80 -3,-0.2 4,-2.4 2,-0.2 5,-0.2 0.902 99.3 56.2 -60.0 -45.4 22.7 6.9 23.5 80 79 A G H > S+ 0 0 28 2,-0.2 4,-1.0 1,-0.2 3,-0.4 0.969 114.8 35.3 -42.9 -72.6 21.8 10.1 25.3 81 80 A P H >> S+ 0 0 21 0, 0.0 4,-1.0 0, 0.0 3,-0.5 0.881 118.3 52.3 -55.7 -42.1 20.8 12.1 22.2 82 81 A L H 3< S+ 0 0 1 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.806 103.5 57.6 -68.1 -28.6 19.3 9.0 20.4 83 82 A A H 3< S+ 0 0 56 -4,-2.4 -1,-0.2 -3,-0.4 -3,-0.1 0.787 110.0 44.6 -72.4 -27.0 17.1 8.2 23.4 84 83 A K H << S+ 0 0 193 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.621 100.9 89.9 -83.1 -19.9 15.5 11.7 23.2 85 84 A A S < S- 0 0 1 -4,-1.0 2,-0.4 1,-0.1 -30,-0.3 -0.380 87.3-109.3 -78.7 156.9 15.2 11.5 19.4 86 85 A F E -g 55 0D 72 -32,-2.6 -30,-2.7 -2,-0.1 2,-0.4 -0.780 44.6-147.2 -81.8 132.9 12.2 10.1 17.5 87 86 A R E -g 56 0D 18 -2,-0.4 19,-2.7 -32,-0.2 20,-1.6 -0.905 21.2-179.2-120.5 128.1 13.4 6.9 16.0 88 87 A L E -gi 57 107D 0 -32,-2.7 -30,-2.8 -2,-0.4 2,-0.4 -0.949 9.4-163.5-122.5 140.5 12.5 5.1 12.7 89 88 A A E -gi 58 108D 0 18,-2.3 20,-2.7 -2,-0.4 -30,-0.2 -0.992 12.3-151.8-121.1 130.0 13.8 1.8 11.3 90 89 A R S S- 0 0 18 -32,-2.4 21,-2.7 -2,-0.4 22,-0.3 0.858 76.6 -0.9 -66.5 -35.7 13.2 1.2 7.6 91 90 A G S > S- 0 0 9 -33,-0.3 4,-2.0 19,-0.2 3,-0.2 -0.840 85.5 -81.4-146.2-176.8 13.1 -2.6 8.2 92 91 A A H > S+ 0 0 80 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.820 119.8 53.5 -62.5 -39.0 13.4 -5.5 10.6 93 92 A K H > S+ 0 0 134 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.900 110.3 45.2 -66.1 -42.7 17.2 -5.5 10.7 94 93 A A H > S+ 0 0 1 -35,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.906 114.5 51.4 -65.3 -39.3 17.6 -1.8 11.5 95 94 A A H X S+ 0 0 15 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.918 108.4 50.0 -63.5 -46.3 14.9 -2.3 14.2 96 95 A R H X S+ 0 0 169 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.932 109.7 51.4 -58.2 -48.1 16.6 -5.3 15.8 97 96 A A H X S+ 0 0 3 -4,-2.0 4,-0.9 2,-0.2 -1,-0.2 0.895 113.9 43.9 -56.9 -43.6 20.0 -3.4 15.9 98 97 A L H ><>S+ 0 0 0 -4,-2.0 5,-2.9 2,-0.2 3,-0.6 0.928 112.3 51.9 -67.1 -47.4 18.2 -0.4 17.7 99 98 A K H ><5S+ 0 0 153 -4,-3.0 3,-1.5 1,-0.2 -2,-0.2 0.881 107.9 52.8 -54.1 -42.0 16.3 -2.7 20.0 100 99 A E H 3<5S+ 0 0 122 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.763 105.7 54.5 -67.4 -24.5 19.5 -4.5 21.0 101 100 A A T <<5S- 0 0 27 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.365 121.3-109.3 -87.2 4.1 21.0 -1.1 21.8 102 101 A G T < 5S+ 0 0 59 -3,-1.5 -3,-0.2 -4,-0.1 -2,-0.1 0.765 96.8 105.5 70.4 25.5 18.1 -0.4 24.2 103 102 A L < - 0 0 6 -5,-2.9 -4,-0.2 -6,-0.1 -3,-0.1 -0.338 53.5-174.8-128.3 50.2 16.9 2.2 21.7 104 103 A P - 0 0 63 0, 0.0 -17,-0.2 0, 0.0 -8,-0.1 -0.132 31.8-102.3 -53.2 141.9 13.9 0.4 20.1 105 104 A P - 0 0 27 0, 0.0 -17,-0.2 0, 0.0 3,-0.1 -0.259 12.1-145.5 -68.4 151.7 12.3 2.4 17.1 106 105 A H S S+ 0 0 103 -19,-2.7 2,-0.3 1,-0.3 -18,-0.2 0.686 91.3 24.4 -82.6 -24.9 9.1 4.4 17.5 107 106 A A E -i 88 0D 12 -20,-1.6 -18,-2.3 -12,-0.0 2,-0.4 -0.993 68.9-166.9-144.9 134.2 8.1 3.5 13.9 108 107 A V E -i 89 0D 67 -2,-0.3 -18,-0.2 -20,-0.2 -17,-0.1 -0.992 7.9-155.4-125.0 132.0 9.2 0.5 11.7 109 108 A G - 0 0 18 -20,-2.7 4,-0.1 -2,-0.4 -19,-0.1 -0.009 32.3-102.0 -83.8-165.0 8.7 0.1 8.0 110 109 A D S S- 0 0 83 2,-0.4 -19,-0.2 -19,-0.1 3,-0.1 0.146 72.2 -80.2-108.1 15.0 8.5 -3.0 5.7 111 110 A G S S+ 0 0 5 -21,-2.7 2,-0.3 1,-0.4 -20,-0.2 0.120 106.4 98.8 106.6 -17.5 12.1 -2.8 4.4 112 111 A T S > S- 0 0 3 -22,-0.3 3,-0.7 1,-0.1 -2,-0.4 -0.777 73.5-132.7-103.9 146.7 11.3 -0.1 1.8 113 112 A S G >> S+ 0 0 8 -2,-0.3 3,-1.8 1,-0.2 4,-0.7 0.854 105.1 62.1 -60.3 -37.7 11.9 3.7 2.1 114 113 A K G 34 S+ 0 0 92 1,-0.3 3,-0.5 2,-0.2 -1,-0.2 0.776 92.4 64.4 -65.7 -26.0 8.4 4.5 0.8 115 114 A S G <4 S+ 0 0 24 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.624 97.8 57.9 -70.3 -14.2 6.8 2.7 3.8 116 115 A L T X> S+ 0 0 0 -3,-1.8 3,-1.8 -4,-0.3 4,-0.7 0.774 83.7 82.5 -86.7 -28.8 8.4 5.3 6.1 117 116 A L G >< S+ 0 0 48 -4,-0.7 3,-0.8 -3,-0.5 -2,-0.1 0.820 93.7 42.7 -46.2 -49.1 6.7 8.3 4.4 118 117 A P G 34 S+ 0 0 110 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.588 113.1 56.9 -76.3 -5.6 3.4 8.1 6.3 119 118 A L G <4 S+ 0 0 73 -3,-1.8 -2,-0.2 -4,-0.1 -3,-0.1 0.496 82.0 102.4-100.2 -6.1 5.3 7.4 9.5 120 119 A L << - 0 0 11 -3,-0.8 2,-0.2 -4,-0.7 3,-0.0 -0.659 62.8-147.8 -81.2 120.3 7.5 10.6 9.4 121 120 A P - 0 0 42 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.533 26.5 -80.0 -86.0 157.3 6.3 13.2 11.8 122 121 A Q - 0 0 140 -2,-0.2 25,-0.1 1,-0.1 2,-0.1 -0.717 60.6 -79.1 -81.1 143.5 6.5 17.0 11.3 123 122 A G + 0 0 27 23,-0.9 2,-0.3 -2,-0.3 -1,-0.1 -0.650 50.1 108.4 164.8 66.1 8.9 18.6 11.7 124 123 A R + 0 0 216 2,-0.1 2,-0.3 -2,-0.1 24,-0.2 -0.980 62.9 4.3-154.4 145.3 11.7 20.7 13.1 125 124 A G E S- j 0 148D 29 22,-0.7 24,-3.2 -2,-0.3 2,-0.5 -0.701 97.2 -7.7 96.3-139.6 15.5 20.6 13.7 126 125 A V E - j 0 149D 18 -2,-0.3 -71,-2.2 22,-0.2 -72,-2.2 -0.841 43.4-166.0-110.2 128.2 17.9 17.8 12.7 127 126 A A E -hj 55 150D 0 22,-2.8 24,-2.5 -2,-0.5 2,-0.4 -0.948 16.3-150.1-108.4 107.2 17.1 14.4 11.2 128 127 A A E -hj 56 151D 0 -73,-2.6 -71,-2.6 -2,-0.6 2,-0.5 -0.668 14.4-162.9 -72.5 127.6 20.1 12.1 11.4 129 128 A L E -hj 57 152D 0 22,-2.9 24,-2.9 -2,-0.4 2,-0.4 -0.953 7.7-151.1-122.3 114.0 20.0 9.7 8.4 130 129 A Q E - j 0 153D 4 -73,-2.6 -71,-0.4 -2,-0.5 2,-0.2 -0.791 23.9-178.9 -98.2 139.9 22.1 6.5 8.4 131 130 A L - 0 0 8 22,-1.6 -71,-0.1 -2,-0.4 -72,-0.1 -0.500 30.1-140.1-157.6 158.7 23.0 5.4 5.0 132 131 A Y S S- 0 0 44 2,-0.5 22,-0.1 -2,-0.2 54,-0.1 -0.085 79.1 -45.1-143.3 34.3 24.9 2.6 3.3 133 132 A G S S+ 0 0 1 1,-0.2 25,-2.9 23,-0.1 -96,-0.1 0.216 115.1 48.9 127.8 -15.2 26.8 4.1 0.4 134 133 A K S S- 0 0 1 23,-0.2 -2,-0.5 25,-0.1 -1,-0.2 -0.994 81.9 -89.4-153.6 155.0 24.5 6.4 -1.5 135 134 A P - 0 0 77 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 -0.229 28.0-146.1 -58.3 152.1 22.0 9.3 -1.1 136 135 A L > - 0 0 6 1,-0.1 4,-3.1 2,-0.0 3,-0.5 -0.742 17.9-177.4-121.0 83.8 18.3 8.3 -0.6 137 136 A P H > S+ 0 0 56 0, 0.0 4,-3.6 0, 0.0 5,-0.3 0.831 77.1 52.3 -54.0 -46.3 16.4 11.1 -2.4 138 137 A L H > S+ 0 0 80 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.911 118.0 37.8 -57.3 -46.3 12.9 10.0 -1.6 139 138 A L H > S+ 0 0 0 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.942 119.3 47.8 -70.8 -48.1 13.6 9.9 2.1 140 139 A E H X S+ 0 0 49 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.875 113.1 48.2 -63.3 -39.9 15.9 13.0 2.1 141 140 A N H X S+ 0 0 110 -4,-3.6 4,-2.5 -5,-0.3 -1,-0.2 0.916 111.8 50.0 -65.8 -42.4 13.4 15.0 0.1 142 141 A A H X S+ 0 0 4 -4,-1.8 4,-2.3 -5,-0.3 -2,-0.2 0.871 108.2 52.6 -62.6 -41.2 10.6 13.9 2.5 143 142 A L H <>S+ 0 0 0 -4,-2.4 5,-2.6 2,-0.2 4,-0.5 0.872 109.5 49.2 -65.5 -37.2 12.6 14.9 5.5 144 143 A A H ><5S+ 0 0 60 -4,-1.7 3,-1.8 3,-0.2 -2,-0.2 0.965 110.0 51.7 -62.9 -49.9 13.2 18.4 4.0 145 144 A E H 3<5S+ 0 0 146 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.883 106.2 54.6 -48.5 -46.5 9.4 18.6 3.3 146 145 A R T 3<5S- 0 0 42 -4,-2.3 -23,-0.9 -5,-0.1 -1,-0.3 0.604 126.7-101.9 -67.7 -12.3 8.7 17.7 7.0 147 146 A G T < 5S+ 0 0 39 -3,-1.8 -22,-0.7 -4,-0.5 2,-0.3 0.622 75.4 133.7 104.2 17.3 11.0 20.6 8.1 148 147 A Y E < -j 125 0D 22 -5,-2.6 2,-0.5 -24,-0.2 -1,-0.3 -0.774 54.2-131.7-105.3 143.2 14.2 18.8 9.0 149 148 A R E -j 126 0D 139 -24,-3.2 -22,-2.8 -2,-0.3 2,-0.5 -0.803 35.4-128.4 -81.2 128.5 17.9 19.5 8.3 150 149 A V E -j 127 0D 37 -2,-0.5 -22,-0.2 -24,-0.2 -24,-0.1 -0.705 19.8-166.3 -87.2 126.0 19.3 16.2 7.1 151 150 A L E -j 128 0D 5 -24,-2.5 -22,-2.9 -2,-0.5 2,-0.2 -0.909 17.9-151.4-106.4 99.3 22.5 14.9 8.8 152 151 A P E -j 129 0D 56 0, 0.0 2,-0.4 0, 0.0 -22,-0.2 -0.510 11.0-167.9 -78.5 138.2 23.8 12.0 6.6 153 152 A L E +j 130 0D 2 -24,-2.9 -22,-1.6 -2,-0.2 -86,-0.1 -0.909 26.8 130.0-131.9 105.5 25.8 9.3 8.3 154 153 A M - 0 0 21 -2,-0.4 -22,-0.1 -24,-0.2 -109,-0.1 -0.941 40.9-153.1-153.3 135.1 27.8 6.7 6.3 155 154 A P S S+ 0 0 34 0, 0.0 -116,-2.6 0, 0.0 2,-0.3 0.706 82.3 35.5 -76.2 -23.8 31.4 5.5 6.5 156 155 A Y E -F 38 0C 111 -118,-0.2 2,-0.4 -114,-0.1 -23,-0.1 -0.967 67.6-141.1-135.8 150.4 31.7 4.5 2.8 157 156 A R E -F 37 0C 83 -120,-3.5 -120,-2.4 -2,-0.3 2,-0.4 -0.927 8.8-162.0-114.1 130.8 30.5 5.7 -0.6 158 157 A H - 0 0 40 -25,-2.9 -122,-0.1 -2,-0.4 -26,-0.0 -0.920 12.7-156.2-104.8 138.9 29.3 3.5 -3.5 159 158 A L - 0 0 84 -2,-0.4 -126,-2.8 -124,-0.4 -125,-0.4 -0.912 11.2-123.6-118.3 143.2 29.2 5.0 -7.0 160 159 A P B -E 32 0B 46 0, 0.0 -128,-0.3 0, 0.0 3,-0.1 -0.343 11.7-131.5 -75.7 161.7 27.1 4.0 -10.0 161 160 A D > - 0 0 31 -130,-2.3 4,-2.9 1,-0.2 5,-0.2 -0.908 24.5-170.0-109.5 92.1 28.4 3.1 -13.5 162 161 A P H > S+ 0 0 68 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.898 84.3 45.9 -56.1 -45.3 26.0 5.3 -15.5 163 162 A E H > S+ 0 0 113 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.926 113.8 50.0 -62.5 -44.3 27.0 3.7 -18.9 164 163 A G H > S+ 0 0 2 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.909 109.8 51.6 -55.9 -45.6 26.7 0.2 -17.4 165 164 A I H X S+ 0 0 3 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.918 109.8 48.5 -61.0 -45.2 23.3 1.1 -16.0 166 165 A L H X S+ 0 0 50 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.854 109.3 53.2 -65.5 -35.1 22.1 2.3 -19.4 167 166 A R H X S+ 0 0 136 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.881 110.5 46.7 -65.6 -42.9 23.4 -0.8 -21.2 168 167 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.922 112.8 49.4 -63.5 -46.4 21.5 -3.1 -18.8 169 168 A E H X S+ 0 0 7 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.899 113.4 47.1 -62.1 -41.7 18.3 -1.0 -19.2 170 169 A E H X S+ 0 0 96 -4,-2.4 4,-1.7 2,-0.2 6,-0.2 0.938 110.6 52.1 -60.7 -48.2 18.6 -1.2 -23.0 171 170 A A H <>S+ 0 0 4 -4,-2.7 5,-2.3 2,-0.2 6,-0.5 0.915 114.2 43.2 -56.7 -45.7 19.3 -4.9 -22.9 172 171 A V H ><5S+ 0 0 5 -4,-2.6 3,-2.1 1,-0.2 5,-0.3 0.967 114.9 47.9 -62.6 -54.3 16.1 -5.5 -20.8 173 172 A L H 3<5S+ 0 0 73 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.669 108.3 56.3 -66.1 -17.2 13.9 -3.1 -22.8 174 173 A R T 3<5S- 0 0 169 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.294 115.2-114.7 -95.8 8.4 15.1 -4.7 -26.1 175 174 A G T < 5S+ 0 0 26 -3,-2.1 -3,-0.2 -5,-0.1 -2,-0.1 0.732 80.0 125.9 68.0 25.1 14.0 -8.1 -24.9 176 175 A E < + 0 0 103 -5,-2.3 2,-0.4 -6,-0.2 -4,-0.2 0.458 60.4 62.0 -94.3 -2.2 17.5 -9.5 -24.8 177 176 A V - 0 0 1 -6,-0.5 -173,-0.2 -5,-0.3 3,-0.1 -0.970 49.6-175.4-126.3 141.6 17.3 -10.7 -21.2 178 177 A D S S+ 0 0 19 -175,-2.9 32,-2.1 -2,-0.4 2,-0.3 0.716 77.8 14.0-102.0 -28.1 15.0 -13.4 -19.6 179 178 A A E -bc 4 210A 0 -176,-1.8 -174,-2.9 30,-0.3 2,-0.4 -0.980 62.0-149.7-147.4 155.3 16.1 -12.9 -16.0 180 179 A L E -bc 5 211A 0 30,-2.6 32,-3.8 -2,-0.3 2,-0.6 -0.961 9.5-156.5-134.6 114.3 18.1 -10.4 -14.0 181 180 A A E -bc 6 212A 0 -176,-3.2 -174,-2.4 -2,-0.4 2,-0.5 -0.821 9.1-174.1 -97.4 116.9 20.2 -11.4 -10.9 182 181 A F E - c 0 213A 0 30,-3.2 32,-1.9 -2,-0.6 3,-0.1 -0.928 8.6-175.3-104.4 132.0 20.9 -8.6 -8.4 183 182 A V S S+ 0 0 34 -2,-0.5 2,-0.3 1,-0.2 35,-0.1 0.525 70.9 33.5-103.8 -6.8 23.2 -9.6 -5.6 184 183 A A S >> S- 0 0 35 34,-0.1 3,-1.2 1,-0.1 4,-1.1 -0.995 73.2-127.1-147.6 143.0 22.9 -6.3 -3.6 185 184 A A H 3> S+ 0 0 12 -2,-0.3 4,-2.5 1,-0.3 5,-0.2 0.846 109.3 65.3 -55.0 -36.5 20.2 -3.8 -3.0 186 185 A I H 3> S+ 0 0 11 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.842 97.5 54.5 -56.9 -34.7 22.6 -1.0 -4.1 187 186 A Q H <> S+ 0 0 6 -3,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.936 108.6 48.2 -64.4 -44.2 22.5 -2.6 -7.6 188 187 A V H X S+ 0 0 0 -4,-1.1 4,-2.2 2,-0.2 5,-0.2 0.926 114.6 46.3 -58.8 -46.2 18.7 -2.4 -7.8 189 188 A E H X S+ 0 0 14 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.926 111.5 49.1 -67.1 -48.4 18.8 1.2 -6.6 190 189 A F H X S+ 0 0 9 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.923 111.4 52.3 -55.8 -48.0 21.5 2.3 -9.0 191 190 A L H X S+ 0 0 0 -4,-2.5 4,-0.8 -5,-0.2 -2,-0.2 0.937 115.0 38.1 -52.3 -55.6 19.7 0.7 -11.9 192 191 A F H < S+ 0 0 3 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.863 117.1 50.8 -71.6 -34.9 16.3 2.3 -11.4 193 192 A E H < S+ 0 0 81 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.864 117.2 39.8 -68.9 -36.0 17.8 5.7 -10.4 194 193 A G H < S+ 0 0 38 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.453 92.4 111.3 -93.0 -2.4 20.0 5.8 -13.4 195 194 A A < - 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