==== 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 06-MAY-04 1WCW . COMPND 2 MOLECULE: UROPORPHYRINOGEN III SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR E.MIZOHATA,T.MATSUURA,H.SAKAI,K.MURAYAMA,T.TERADA,M.SHIROUZU . 254 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12504.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.4 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 . 13 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 37.4 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 1 0 1 0 1 3 3 0 0 2 0 0 1 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 . 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 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 8 A A 0 0 92 0, 0.0 2,-0.3 0, 0.0 23,-0.1 0.000 360.0 360.0 360.0 152.5 13.0 22.3 4.2 2 9 A V - 0 0 44 21,-0.4 23,-2.8 1,-0.0 2,-0.6 -0.563 360.0-138.2 -72.2 129.1 15.4 21.5 7.0 3 10 A R E -a 25 0A 117 -2,-0.3 175,-2.4 21,-0.2 176,-1.6 -0.859 21.3-172.2 -96.8 119.6 18.8 20.7 5.5 4 11 A V E -ab 26 179A 0 21,-2.2 23,-2.3 -2,-0.6 2,-0.3 -0.954 7.3-156.9-122.0 117.8 20.5 17.7 7.1 5 12 A A E -ab 27 180A 0 174,-2.9 176,-3.0 -2,-0.5 2,-0.5 -0.674 7.0-148.5 -89.0 148.7 24.1 16.9 6.2 6 13 A Y E -ab 28 181A 0 21,-2.1 23,-2.5 -2,-0.3 176,-0.2 -0.986 11.0-169.5-122.8 124.7 25.4 13.3 6.6 7 14 A A + 0 0 0 174,-2.6 24,-1.6 -2,-0.5 25,-0.3 0.444 56.1 103.9 -93.2 -0.5 29.1 12.7 7.6 8 15 A G - 0 0 0 173,-0.3 -2,-0.1 22,-0.2 21,-0.1 -0.176 52.0-161.0 -81.1 167.7 29.0 8.9 7.0 9 16 A L S > S+ 0 0 52 21,-0.1 3,-0.8 22,-0.1 -1,-0.1 0.756 77.3 54.0-112.0 -46.2 30.3 6.9 4.1 10 17 A R T 3 S+ 0 0 116 1,-0.2 3,-0.2 2,-0.1 -2,-0.0 0.835 113.1 32.5 -63.1 -46.2 28.6 3.5 4.0 11 18 A R T 3> S+ 0 0 98 1,-0.2 4,-2.5 2,-0.1 -1,-0.2 -0.126 73.1 128.6-111.0 34.7 24.9 4.2 4.0 12 19 A K H <> S+ 0 0 60 -3,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.857 74.7 50.8 -56.1 -45.7 24.7 7.5 2.0 13 20 A E H > S+ 0 0 177 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.897 111.6 46.8 -64.3 -39.1 22.1 6.3 -0.4 14 21 A A H > S+ 0 0 50 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.918 111.5 52.8 -69.4 -41.3 19.9 5.1 2.4 15 22 A F H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.943 111.0 46.6 -57.1 -48.5 20.4 8.4 4.2 16 23 A K H X S+ 0 0 92 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.923 113.7 47.2 -61.6 -47.6 19.4 10.4 1.2 17 24 A A H X S+ 0 0 40 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.923 115.3 44.1 -60.8 -47.2 16.3 8.3 0.4 18 25 A L H X S+ 0 0 55 -4,-2.5 4,-1.9 2,-0.2 6,-0.2 0.923 112.6 52.3 -67.1 -44.9 15.0 8.3 3.9 19 26 A A H <>S+ 0 0 0 -4,-2.8 5,-2.7 -5,-0.3 4,-0.3 0.933 109.5 49.0 -58.5 -43.9 15.7 12.0 4.4 20 27 A E H ><5S+ 0 0 96 -4,-2.3 3,-1.4 -5,-0.2 -1,-0.2 0.902 109.2 52.7 -61.1 -43.3 13.8 12.9 1.3 21 28 A K H 3<5S+ 0 0 177 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.820 109.2 50.8 -63.8 -26.7 10.8 10.8 2.3 22 29 A L T 3<5S- 0 0 33 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.426 123.4-103.2 -90.5 1.7 10.7 12.6 5.7 23 30 A G T < 5S+ 0 0 47 -3,-1.4 -21,-0.4 1,-0.3 -3,-0.2 0.585 78.4 127.9 89.5 8.9 10.7 16.0 4.1 24 31 A F < - 0 0 11 -5,-2.7 -1,-0.3 -6,-0.2 -21,-0.2 -0.596 61.3-124.3 -93.9 159.7 14.3 17.0 4.7 25 32 A T E -a 3 0A 56 -23,-2.8 -21,-2.2 -2,-0.2 2,-0.2 -0.921 34.7-148.7 -98.1 113.4 16.9 18.2 2.1 26 33 A P E -a 4 0A 23 0, 0.0 2,-0.4 0, 0.0 -21,-0.2 -0.548 15.2-171.6 -86.8 140.5 19.8 15.7 2.4 27 34 A L E -a 5 0A 47 -23,-2.3 -21,-2.1 -2,-0.2 2,-0.7 -1.000 15.0-142.4-126.8 138.3 23.5 16.7 1.8 28 35 A L E +a 6 0A 67 -2,-0.4 -21,-0.1 -23,-0.2 -23,-0.1 -0.879 28.9 160.6-108.8 115.4 26.3 14.2 1.7 29 36 A F - 0 0 27 -23,-2.5 -20,-0.1 -2,-0.7 -1,-0.0 -0.661 19.2-167.2-130.2 73.3 29.6 15.3 3.2 30 37 A P - 0 0 14 0, 0.0 -22,-0.2 0, 0.0 138,-0.1 -0.341 9.5-170.2 -63.8 144.5 31.6 12.2 3.9 31 38 A V + 0 0 0 -24,-1.6 130,-2.2 133,-0.1 2,-0.3 0.384 62.0 58.0-114.5 2.2 34.6 12.8 6.1 32 39 A Q E -E 160 0B 4 128,-0.3 2,-0.3 -25,-0.3 126,-0.0 -0.911 54.4-159.7-134.9 161.4 36.3 9.4 5.8 33 40 A A E -E 159 0B 39 126,-2.7 126,-2.7 -2,-0.3 2,-0.4 -0.892 15.9-154.0-128.6 153.6 37.7 7.1 3.2 34 41 A T E +E 158 0B 59 -2,-0.3 2,-0.4 124,-0.2 124,-0.2 -0.999 12.9 178.5-135.1 136.6 38.2 3.4 3.9 35 42 A E E -E 157 0B 93 122,-2.3 122,-2.8 -2,-0.4 2,-0.3 -0.996 26.2-127.0-141.8 136.3 40.7 1.0 2.2 36 43 A K E -E 156 0B 117 -2,-0.4 120,-0.3 120,-0.2 -2,-0.0 -0.572 26.4-126.7 -76.0 142.5 41.5 -2.6 2.7 37 44 A V - 0 0 24 118,-2.4 5,-0.1 -2,-0.3 -1,-0.0 -0.789 32.1-108.7 -88.1 128.2 45.1 -3.4 3.3 38 45 A P >> - 0 0 65 0, 0.0 3,-1.7 0, 0.0 4,-0.6 -0.339 25.6-124.5 -58.7 137.4 46.4 -6.1 0.8 39 46 A V G >4 S+ 0 0 39 1,-0.3 3,-1.5 2,-0.2 4,-0.5 0.881 107.7 60.2 -54.6 -41.3 47.0 -9.2 2.7 40 47 A P G >4 S+ 0 0 93 0, 0.0 3,-0.7 0, 0.0 4,-0.3 0.836 95.1 66.0 -58.8 -25.9 50.6 -9.6 1.6 41 48 A E G <4 S+ 0 0 139 -3,-1.7 -2,-0.2 1,-0.2 3,-0.1 0.713 115.2 25.5 -70.4 -19.6 51.4 -6.2 3.3 42 49 A Y G XX S+ 0 0 13 -3,-1.5 4,-1.8 -4,-0.6 3,-0.7 0.149 83.5 117.2-127.8 20.9 50.7 -7.5 6.8 43 50 A R H <> S+ 0 0 109 -3,-0.7 4,-2.7 -4,-0.5 5,-0.2 0.834 73.5 61.0 -53.0 -35.4 51.4 -11.2 6.2 44 51 A D H 3> S+ 0 0 82 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.908 105.7 46.0 -61.0 -41.3 54.3 -11.0 8.7 45 52 A Q H <> S+ 0 0 53 -3,-0.7 4,-2.2 2,-0.2 -2,-0.2 0.882 111.8 51.1 -71.5 -38.3 51.8 -10.0 11.5 46 53 A V H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.909 109.0 51.4 -67.5 -40.1 49.3 -12.7 10.6 47 54 A R H X S+ 0 0 105 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.915 108.9 51.5 -61.4 -39.9 52.1 -15.4 10.7 48 55 A A H >< S+ 0 0 40 -4,-1.8 3,-1.1 1,-0.2 4,-0.3 0.911 108.5 50.3 -62.4 -45.6 53.1 -14.1 14.1 49 56 A L H >< S+ 0 0 0 -4,-2.2 3,-2.1 1,-0.2 -1,-0.2 0.907 104.4 59.3 -58.4 -38.6 49.5 -14.4 15.3 50 57 A A H 3< S+ 0 0 21 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.688 94.8 64.7 -66.0 -15.8 49.4 -18.0 13.9 51 58 A Q T << S- 0 0 158 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.540 121.9 -92.6 -81.0 -7.7 52.3 -18.9 16.3 52 59 A G < - 0 0 39 -3,-2.1 2,-0.3 -4,-0.3 -1,-0.2 0.108 40.1-152.4 104.4 140.5 50.1 -18.3 19.3 53 60 A V - 0 0 13 28,-0.3 74,-0.2 1,-0.1 3,-0.1 -0.956 18.4-135.2-140.0 161.2 49.3 -15.2 21.5 54 61 A D S S+ 0 0 83 72,-2.1 32,-2.3 -2,-0.3 2,-0.4 0.816 89.4 21.2 -89.2 -29.5 48.2 -14.8 25.1 55 62 A L E -fg 86 127C 0 71,-1.7 73,-3.0 30,-0.2 2,-0.4 -0.993 59.6-163.7-141.7 142.7 45.6 -12.2 24.4 56 63 A F E -fg 87 128C 3 30,-2.7 32,-2.9 -2,-0.4 2,-0.6 -0.992 7.5-166.2-127.9 124.4 43.6 -11.1 21.4 57 64 A L E -fg 88 129C 0 71,-3.0 73,-2.9 -2,-0.4 2,-0.5 -0.937 3.9-165.2-116.0 111.7 41.8 -7.7 21.4 58 65 A A E +f 89 0C 0 30,-3.0 32,-2.8 -2,-0.6 33,-0.3 -0.856 12.5 177.4 -96.2 134.3 39.3 -7.1 18.7 59 66 A T + 0 0 5 -2,-0.5 2,-0.3 71,-0.4 35,-0.3 0.738 65.7 26.1-106.3 -28.1 38.0 -3.5 18.1 60 67 A T > - 0 0 21 34,-0.1 4,-1.9 33,-0.1 -1,-0.2 -0.958 61.5-134.0-138.6 154.2 35.7 -4.0 15.1 61 68 A G H > S+ 0 0 5 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.916 111.2 53.2 -67.6 -43.9 33.5 -6.7 13.6 62 69 A V H > S+ 0 0 65 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.897 108.5 51.5 -55.7 -43.2 34.8 -5.8 10.1 63 70 A G H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.888 107.3 50.6 -65.4 -40.2 38.4 -6.3 11.4 64 71 A V H X S+ 0 0 4 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.949 113.9 45.6 -60.8 -48.8 37.7 -9.7 12.9 65 72 A R H X S+ 0 0 102 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.939 112.7 50.1 -63.4 -44.5 36.2 -10.9 9.7 66 73 A D H X S+ 0 0 18 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.881 110.4 49.9 -61.8 -41.3 39.0 -9.4 7.6 67 74 A L H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.908 109.4 50.0 -64.3 -43.1 41.7 -11.0 9.7 68 75 A L H X S+ 0 0 32 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.916 111.2 50.3 -61.8 -40.1 40.1 -14.4 9.6 69 76 A E H X S+ 0 0 111 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.871 107.7 53.8 -63.4 -37.9 39.9 -14.1 5.7 70 77 A A H X S+ 0 0 1 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.916 105.9 53.1 -64.0 -39.9 43.6 -13.1 5.7 71 78 A G H <>S+ 0 0 1 -4,-2.3 5,-3.1 1,-0.2 4,-0.5 0.915 110.4 47.4 -59.7 -42.4 44.4 -16.3 7.6 72 79 A K H ><5S+ 0 0 148 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.936 110.5 50.9 -64.8 -43.4 42.6 -18.3 5.0 73 80 A A H 3<5S+ 0 0 76 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.828 113.3 46.6 -66.9 -29.3 44.3 -16.5 2.1 74 81 A L T 3<5S- 0 0 37 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.478 113.3-116.2 -90.0 -2.0 47.7 -17.2 3.6 75 82 A G T < 5 + 0 0 69 -3,-1.2 2,-0.3 -4,-0.5 -3,-0.2 0.868 68.1 139.9 71.0 35.5 47.0 -20.8 4.4 76 83 A L < - 0 0 36 -5,-3.1 2,-0.8 -6,-0.2 -1,-0.2 -0.828 55.5-127.7-117.5 148.2 47.3 -20.3 8.2 77 84 A D + 0 0 100 -2,-0.3 -5,-0.0 1,-0.2 -6,-0.0 -0.842 37.7 157.6 -93.9 109.7 45.3 -21.6 11.0 78 85 A L > + 0 0 6 -2,-0.8 4,-2.5 2,-0.1 5,-0.2 0.651 64.1 70.0-101.3 -22.4 44.1 -18.7 13.2 79 86 A E H > S+ 0 0 121 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.905 97.5 51.8 -64.7 -38.3 41.2 -20.4 14.8 80 87 A G H > S+ 0 0 25 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.967 114.0 40.8 -60.7 -58.0 43.5 -22.7 16.9 81 88 A P H > S+ 0 0 15 0, 0.0 4,-1.7 0, 0.0 -28,-0.3 0.923 116.7 50.7 -57.8 -43.5 45.7 -19.8 18.3 82 89 A L H < S+ 0 0 4 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.886 105.3 56.6 -64.7 -32.7 42.6 -17.6 18.8 83 90 A A H < S+ 0 0 56 -4,-2.3 -1,-0.2 -5,-0.2 -3,-0.1 0.864 110.5 44.9 -66.2 -33.9 40.8 -20.4 20.7 84 91 A K H < S+ 0 0 188 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.774 99.4 88.3 -81.5 -25.2 43.6 -20.6 23.1 85 92 A A S < S- 0 0 1 -4,-1.7 2,-0.6 -5,-0.2 -30,-0.2 -0.312 87.6-108.7 -73.2 157.6 44.0 -16.9 23.6 86 93 A F E -f 55 0C 78 -32,-2.3 -30,-2.7 19,-0.1 2,-0.5 -0.760 45.8-147.7 -79.0 124.7 42.1 -14.7 26.2 87 94 A R E -f 56 0C 19 -2,-0.6 19,-2.7 -32,-0.2 20,-1.1 -0.874 20.2-177.5-110.9 126.1 39.7 -12.8 23.8 88 95 A L E -fh 57 107C 0 -32,-2.9 -30,-3.0 -2,-0.5 2,-0.5 -0.927 9.0-161.5-116.5 140.6 38.5 -9.3 24.4 89 96 A A E -fh 58 108C 0 18,-2.0 20,-2.5 -2,-0.4 -30,-0.2 -0.979 16.0-145.1-119.3 134.3 36.0 -7.3 22.2 90 97 A R S S- 0 0 40 -32,-2.8 21,-2.8 -2,-0.5 22,-0.4 0.882 77.6 -17.5 -63.5 -34.5 35.9 -3.6 22.6 91 98 A G S > S- 0 0 8 -33,-0.3 4,-2.1 19,-0.2 3,-0.2 -0.872 85.8 -67.3-156.8-173.9 32.1 -3.6 21.9 92 99 A A H > S+ 0 0 51 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.777 119.8 54.6 -58.2 -37.8 29.1 -5.4 20.6 93 100 A K H > S+ 0 0 127 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.927 111.8 43.0 -67.7 -44.0 30.1 -5.5 16.9 94 101 A A H > S+ 0 0 1 -35,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.900 114.0 54.5 -65.4 -37.2 33.5 -7.1 17.5 95 102 A A H X S+ 0 0 11 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.916 107.0 49.2 -62.3 -41.3 31.8 -9.4 20.0 96 103 A R H X S+ 0 0 127 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.909 109.2 51.8 -67.2 -40.4 29.3 -10.6 17.4 97 104 A A H X S+ 0 0 3 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.911 111.5 47.5 -62.7 -40.9 31.9 -11.2 14.8 98 105 A L H <>S+ 0 0 2 -4,-2.1 5,-2.8 2,-0.2 3,-0.4 0.941 112.0 49.6 -63.8 -43.5 33.9 -13.3 17.2 99 106 A K H ><5S+ 0 0 132 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.916 109.0 52.5 -60.7 -43.8 30.8 -15.3 18.3 100 107 A E H 3<5S+ 0 0 144 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.780 107.3 52.8 -63.4 -26.8 29.9 -15.9 14.7 101 108 A A T 3<5S- 0 0 30 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.444 120.9-110.4 -86.3 -0.1 33.4 -17.3 14.1 102 109 A G T < 5S+ 0 0 58 -3,-1.8 -3,-0.2 -4,-0.2 -2,-0.1 0.754 94.9 106.0 75.6 27.8 32.9 -19.7 17.1 103 110 A L < - 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0 0 10 22,-2.5 25,-0.4 -2,-0.6 -71,-0.1 -0.558 27.9-151.4-113.2 172.0 43.3 -1.9 14.5 132 139 A Y - 0 0 23 2,-0.4 26,-2.7 -2,-0.2 22,-0.1 0.048 64.7 -77.0-138.4 26.1 41.5 0.0 11.8 133 140 A G S S+ 0 0 21 24,-0.3 24,-0.1 1,-0.2 21,-0.0 0.210 102.4 96.2 102.9 -15.8 43.9 2.8 10.9 134 141 A K S S- 0 0 41 25,-0.1 -2,-0.4 1,-0.0 -1,-0.2 -0.903 81.0-105.6-109.5 136.0 43.5 5.3 13.7 135 142 A P - 0 0 96 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.276 24.7-165.0 -60.1 144.5 46.0 5.2 16.7 136 143 A L > + 0 0 15 1,-0.1 4,-2.8 2,-0.1 5,-0.2 -0.610 20.8 163.2-125.8 69.4 44.7 3.8 19.9 137 144 A P H > + 0 0 80 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.840 69.4 57.1 -62.3 -32.4 47.3 5.0 22.3 138 145 A L H > S+ 0 0 83 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.956 114.0 40.5 -63.7 -43.5 45.4 4.5 25.5 139 146 A L H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.912 115.2 50.6 -69.4 -46.2 44.9 0.8 24.7 140 147 A E H X S+ 0 0 69 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.922 113.6 44.5 -61.8 -39.7 48.4 0.3 23.3 141 148 A N H X S+ 0 0 101 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.905 111.9 52.8 -71.2 -41.5 50.0 1.8 26.3 142 149 A A H X S+ 0 0 2 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.922 106.4 53.4 -62.2 -39.0 47.7 -0.1 28.7 143 150 A L H <>S+ 0 0 0 -4,-2.6 5,-2.1 1,-0.2 -1,-0.2 0.924 111.3 46.7 -61.5 -40.8 48.6 -3.4 27.1 144 151 A A H ><5S+ 0 0 58 -4,-1.6 3,-1.8 1,-0.2 -1,-0.2 0.926 110.7 51.6 -67.0 -41.3 52.3 -2.7 27.6 145 152 A E H 3<5S+ 0 0 143 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.853 105.3 57.6 -61.3 -34.8 51.7 -1.6 31.2 146 153 A R T 3<5S- 0 0 54 -4,-2.4 -23,-3.4 -5,-0.2 -1,-0.3 0.468 127.8 -96.6 -76.1 -3.7 49.9 -4.9 31.8 147 154 A G T < 5S+ 0 0 40 -3,-1.8 -22,-0.6 1,-0.3 2,-0.3 0.432 79.1 126.1 109.4 1.6 53.0 -6.9 30.7 148 155 A Y E < -i 125 0C 23 -5,-2.1 2,-0.5 -24,-0.2 -1,-0.3 -0.658 57.8-131.0-101.2 151.2 52.5 -7.7 27.0 149 156 A R E -i 126 0C 181 -24,-2.7 -22,-2.8 -2,-0.3 2,-0.4 -0.831 38.9-126.5 -83.9 131.6 54.4 -7.2 23.9 150 157 A V E -i 127 0C 36 -2,-0.5 -22,-0.2 -24,-0.2 -24,-0.0 -0.675 21.2-167.5 -88.8 129.5 51.8 -5.7 21.4 151 158 A L E -i 128 0C 20 -24,-2.8 -22,-2.4 -2,-0.4 2,-0.2 -0.941 18.0-152.3-112.4 101.3 51.4 -7.4 18.0 152 159 A P E -i 129 0C 51 0, 0.0 2,-0.4 0, 0.0 -22,-0.2 -0.576 12.2-170.8 -76.7 143.9 49.4 -4.9 15.9 153 160 A L E +i 130 0C 0 -24,-2.6 -22,-2.5 -2,-0.2 -86,-0.1 -0.965 5.9 178.2-135.2 114.8 47.1 -6.3 13.1 154 161 A M + 0 0 54 -2,-0.4 -22,-0.1 -24,-0.2 -24,-0.1 -0.787 9.0 168.3-121.2 96.1 45.6 -3.7 10.7 155 162 A P S S+ 0 0 2 0, 0.0 -118,-2.4 0, 0.0 2,-0.3 0.649 72.1 6.2 -83.0 -15.0 43.5 -5.4 8.0 156 163 A Y E -E 36 0B 7 -25,-0.4 2,-0.4 -120,-0.3 -120,-0.2 -0.976 69.0-135.1-157.0 166.7 42.0 -2.2 6.8 157 164 A R E -E 35 0B 111 -122,-2.8 -122,-2.3 -2,-0.3 2,-0.5 -0.988 3.0-154.9-135.7 132.1 42.3 1.5 7.4 158 165 A H E +E 34 0B 34 -26,-2.7 -124,-0.2 -2,-0.4 -26,-0.1 -0.882 28.8 179.7 -94.5 131.8 39.8 4.4 7.9 159 166 A L E -E 33 0B 54 -126,-2.7 -126,-2.7 -2,-0.5 -25,-0.1 -0.925 31.7 -99.2-128.9 156.9 41.5 7.6 6.9 160 167 A P E -E 32 0B 57 0, 0.0 -128,-0.3 0, 0.0 3,-0.1 -0.339 22.3-134.8 -70.0 154.9 40.2 11.1 6.8 161 168 A D > - 0 0 38 -130,-2.2 4,-2.7 1,-0.2 5,-0.2 -0.864 25.4-168.5-105.0 94.3 39.0 12.6 3.5 162 169 A P H > S+ 0 0 67 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.873 82.6 44.1 -54.5 -46.8 40.9 15.9 3.9 163 170 A E H > S+ 0 0 119 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.892 113.2 52.3 -65.2 -41.4 39.1 17.7 1.1 164 171 A G H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.883 108.8 50.9 -59.6 -40.0 35.7 16.3 2.2 165 172 A I H X S+ 0 0 1 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.918 110.0 49.0 -65.1 -45.1 36.4 17.6 5.7 166 173 A L H X S+ 0 0 49 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.912 110.6 50.9 -64.3 -35.4 37.3 21.1 4.4 167 174 A R H X S+ 0 0 120 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.895 111.9 46.9 -68.0 -41.8 34.1 21.2 2.2 168 175 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.924 110.4 52.5 -65.3 -44.1 32.0 20.2 5.2 169 176 A E H X S+ 0 0 7 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.943 109.8 49.2 -57.0 -43.2 33.6 22.8 7.4 170 177 A E H X S+ 0 0 93 -4,-2.5 4,-1.3 1,-0.2 6,-0.2 0.920 111.2 49.4 -62.8 -42.7 32.9 25.5 4.8 171 178 A A H X>S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.2 4,-0.8 0.925 112.2 48.2 -62.9 -43.1 29.3 24.4 4.6 172 179 A L H ><5S+ 0 0 0 -4,-2.9 3,-0.6 1,-0.2 -1,-0.2 0.903 114.0 45.5 -63.1 -41.3 28.8 24.4 8.4 173 180 A L H 3<5S+ 0 0 64 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.641 109.2 57.6 -76.3 -16.1 30.5 27.9 8.7 174 181 A R H 3<5S- 0 0 154 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.600 112.0-117.7 -86.5 -13.7 28.4 29.2 5.8 175 182 A G T <<5 + 0 0 45 -4,-0.8 -3,-0.2 -3,-0.6 -2,-0.1 0.717 69.8 143.2 79.2 21.9 25.1 28.3 7.5 176 183 A E < + 0 0 65 -5,-2.5 2,-0.3 -6,-0.2 -4,-0.2 0.705 60.5 34.4 -70.3 -19.0 24.6 26.0 4.5 177 184 A V - 0 0 2 -6,-0.5 -173,-0.2 -5,-0.1 3,-0.1 -0.918 59.8-148.7-136.5 158.1 22.9 23.3 6.7 178 185 A D S S+ 0 0 68 -175,-2.4 32,-2.6 -2,-0.3 2,-0.3 0.714 83.0 11.4 -95.3 -26.8 20.6 23.0 9.7 179 186 A A E -bc 4 210A 0 -176,-1.6 -174,-2.9 30,-0.3 2,-0.4 -0.978 59.1-150.1-150.8 156.0 21.9 19.8 11.2 180 187 A L E -bc 5 211A 0 30,-2.4 32,-3.0 -2,-0.3 2,-0.5 -0.991 13.2-149.4-134.4 126.2 24.7 17.3 10.8 181 188 A A E -bc 6 212A 0 -176,-3.0 -174,-2.6 -2,-0.4 2,-0.4 -0.830 9.4-170.1-101.5 131.1 24.5 13.6 11.4 182 189 A F E - c 0 213A 0 30,-2.5 32,-2.4 -2,-0.5 3,-0.1 -0.946 8.2-177.7-114.5 132.9 27.4 11.5 12.7 183 190 A V + 0 0 20 -2,-0.4 2,-0.3 1,-0.2 35,-0.1 0.488 69.5 30.3-111.0 0.1 27.2 7.8 12.7 184 191 A A S >> S- 0 0 30 1,-0.1 3,-1.3 34,-0.1 4,-0.9 -0.992 73.8-123.0-153.1 149.1 30.5 6.9 14.2 185 192 A A H >> S+ 0 0 24 -2,-0.3 4,-2.2 1,-0.3 3,-0.6 0.846 108.5 65.1 -59.4 -37.1 32.9 8.5 16.6 186 193 A I H 3> S+ 0 0 19 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.822 96.1 57.4 -61.2 -26.3 35.7 8.4 14.1 187 194 A Q H <> S+ 0 0 0 -3,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.896 107.0 48.4 -70.0 -36.0 33.8 10.8 11.9 188 195 A V H + 0 0 78 1,-0.1 4,-2.2 2,-0.1 3,-0.3 -0.722 67.4 174.5-133.6 82.3 39.3 26.5 12.4 198 205 A P H > S+ 0 0 49 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.836 81.0 56.3 -60.8 -33.0 38.2 24.0 15.1 199 206 A K H > S+ 0 0 159 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.923 109.0 45.3 -64.3 -42.7 37.0 26.7 17.4 200 207 A A H > S+ 0 0 23 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.872 111.6 53.8 -66.7 -34.5 34.7 28.2 14.8 201 208 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.928 108.2 49.4 -65.4 -42.2 33.5 24.7 14.0 202 209 A R H X S+ 0 0 82 -4,-2.5 4,-1.5 2,-0.2 5,-0.2 0.939 111.9 49.1 -60.1 -47.3 32.7 24.1 17.8 203 210 A E H X S+ 0 0 118 -4,-2.4 4,-2.5 1,-0.2 5,-0.4 0.932 111.7 49.0 -58.5 -43.6 30.8 27.4 17.8 204 211 A A H X>S+ 0 0 0 -4,-2.7 5,-2.9 1,-0.2 4,-2.4 0.922 112.4 46.9 -62.4 -43.7 28.9 26.4 14.7 205 212 A L H <5S+ 0 0 3 -4,-2.8 6,-0.7 1,-0.2 -1,-0.2 0.638 118.4 42.5 -76.7 -14.0 27.9 22.9 16.0 206 213 A N H <5S+ 0 0 75 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.781 131.0 17.6 -95.3 -32.1 26.8 24.4 19.4 207 214 A T H <5S+ 0 0 96 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.613 132.4 21.5-121.0 -12.1 25.0 27.5 18.2 208 215 A R T <5S+ 0 0 103 -4,-2.4 2,-0.4 -5,-0.4 -3,-0.2 0.648 115.8 41.5-129.2 -32.9 24.0 27.3 14.6 209 216 A V S S- 0 0 22 18,-2.7 4,-2.3 -2,-0.8 5,-0.1 0.171 80.2-104.0 107.8 141.4 25.3 6.0 19.3 216 223 A R H > S+ 0 0 111 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.829 120.4 55.7 -63.0 -34.0 26.4 7.0 22.8 217 224 A V H > S+ 0 0 51 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.916 107.7 48.4 -68.5 -38.5 30.1 6.6 21.8 218 225 A T H > S+ 0 0 6 -4,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.941 111.9 50.4 -64.9 -41.6 29.6 9.1 18.9 219 226 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.897 108.2 52.3 -64.5 -39.3 27.9 11.5 21.2 220 227 A D H X S+ 0 0 48 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.863 104.3 56.7 -67.5 -30.4 30.7 11.2 23.7 221 228 A A H X S+ 0 0 1 -4,-1.8 4,-0.9 1,-0.2 -1,-0.2 0.910 108.1 47.5 -64.9 -42.8 33.2 12.0 20.9 222 229 A L H ><>S+ 0 0 0 -4,-1.8 5,-2.6 1,-0.2 3,-0.9 0.924 110.4 52.3 -59.3 -45.2 31.4 15.3 20.2 223 230 A R H ><5S+ 0 0 147 -4,-2.3 3,-2.0 1,-0.3 -2,-0.2 0.886 102.4 58.2 -62.8 -35.5 31.3 16.1 23.9 224 231 A E H 3<5S+ 0 0 145 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.757 106.6 50.1 -65.8 -24.6 35.1 15.6 24.2 225 232 A W T <<5S- 0 0 69 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.298 128.1 -99.8 -92.9 8.2 35.5 18.3 21.6 226 233 A G T < 5S+ 0 0 37 -3,-2.0 2,-0.5 1,-0.3 -3,-0.2 0.690 84.5 123.5 85.9 17.9 33.2 20.7 23.5 227 234 A V < - 0 0 1 -5,-2.6 -1,-0.3 -6,-0.1 -2,-0.2 -0.950 48.6-151.8-115.1 127.1 30.0 20.0 21.4 228 235 A K - 0 0 146 -2,-0.5 -17,-0.4 -3,-0.1 -8,-0.1 -0.895 24.6-124.4 -95.4 120.3 26.8 18.9 22.9 229 236 A P - 0 0 8 0, 0.0 -17,-0.2 0, 0.0 3,-0.2 -0.318 6.1-145.6 -59.6 142.8 24.6 16.8 20.5 230 237 A F S S+ 0 0 52 -19,-2.6 2,-0.4 1,-0.3 -18,-0.2 0.836 86.0 13.0 -74.9 -38.7 21.2 18.2 20.0 231 238 A Y E -d 212 0A 50 -20,-1.3 -18,-2.6 2,-0.0 2,-0.5 -0.995 64.3-163.1-142.9 136.2 19.8 14.6 19.6 232 239 A V E -d 213 0A 29 -2,-0.4 2,-0.4 -20,-0.2 -18,-0.2 -0.984 8.6-160.6-121.3 121.9 21.3 11.2 20.2 233 240 A D E -d 214 0A 3 -20,-2.9 -18,-2.7 -2,-0.5 3,-0.2 -0.844 7.8-170.1-102.9 138.7 19.8 8.0 18.7 234 241 A E + 0 0 138 -2,-0.4 -1,-0.1 -20,-0.2 -20,-0.1 0.082 68.9 75.1-118.5 31.3 20.5 4.6 20.2 235 242 A T S S- 0 0 44 2,-0.2 -1,-0.1 -20,-0.0 3,-0.1 0.530 83.4-134.0-114.7 -14.0 19.1 2.3 17.6 236 243 A E + 0 0 92 1,-0.2 2,-0.5 -3,-0.2 3,-0.1 0.600 67.4 124.5 68.4 5.3 21.5 2.4 14.7 237 244 A R > - 0 0 157 1,-0.1 4,-1.9 2,-0.0 3,-0.5 -0.897 56.6-149.6-100.1 127.2 18.4 2.9 12.3 238 245 A L H > S+ 0 0 10 -2,-0.5 4,-2.3 1,-0.3 5,-0.2 0.802 99.4 58.1 -66.2 -22.8 18.7 6.0 10.1 239 246 A G H > S+ 0 0 15 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.882 106.5 48.1 -72.9 -35.6 14.9 6.2 10.1 240 247 A S H > S+ 0 0 24 -3,-0.5 4,-2.9 2,-0.2 5,-0.3 0.882 110.8 50.6 -70.2 -42.7 15.0 6.5 13.9 241 248 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.963 116.0 40.9 -57.8 -52.3 17.7 9.1 13.9 242 249 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.898 118.3 44.7 -67.5 -40.2 15.9 11.3 11.4 243 250 A Q H X S+ 0 0 109 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.890 112.5 51.1 -74.0 -37.4 12.4 10.8 12.8 244 251 A G H X S+ 0 0 17 -4,-2.9 4,-2.6 -5,-0.2 -2,-0.2 0.922 111.8 49.0 -64.3 -42.4 13.5 11.3 16.4 245 252 A F H X S+ 0 0 1 -4,-2.5 4,-2.8 -5,-0.3 5,-0.3 0.938 108.7 53.1 -59.7 -46.3 15.3 14.5 15.3 246 253 A K H X S+ 0 0 95 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.927 112.2 44.6 -56.6 -44.6 12.2 15.7 13.5 247 254 A R H X S+ 0 0 161 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.917 113.4 50.3 -67.5 -43.1 10.0 15.2 16.6 248 255 A A H X S+ 0 0 26 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.922 110.5 50.2 -60.7 -40.6 12.6 16.8 18.9 249 256 A L H X S+ 0 0 37 -4,-2.8 4,-1.6 1,-0.2 3,-0.5 0.953 113.4 44.7 -64.5 -47.1 12.9 19.8 16.7 250 257 A Q H X S+ 0 0 118 -4,-2.4 4,-2.8 -5,-0.3 -1,-0.2 0.891 105.4 60.9 -68.6 -35.4 9.2 20.3 16.5 251 258 A K H < S+ 0 0 123 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.842 105.5 50.8 -57.2 -34.8 8.7 19.8 20.3 252 259 A E H < S+ 0 0 123 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.910 111.4 45.3 -66.8 -46.8 10.9 22.7 20.7 253 260 A V H < 0 0 109 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.1 0.919 360.0 360.0 -59.4 -51.1 9.0 25.0 18.4 254 261 A A < 0 0 132 -4,-2.8 0, 0.0 0, 0.0 0, 0.0 -0.087 360.0 360.0 -68.2 360.0 5.6 24.1 19.7