==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 18-OCT-10 3P9Z . COMPND 2 MOLECULE: UROPORPHYRINOGEN III COSYNTHASE (HEMD); . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR B.NOCEK,A.STEIN,G.CHHOR,R.J.FENSKE,K.BUCK,A.JOACHIMIAK,MIDWE . 213 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12061.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 148 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 17.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.8 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 . 23 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 0 3 0 2 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 3 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 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 . 0 0 0 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 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 X 0 0 182 0, 0.0 2,-0.2 0, 0.0 213,-0.1 0.000 360.0 360.0 360.0 134.3 23.7 33.1 -1.5 2 2 A R - 0 0 67 212,-1.9 2,-0.3 211,-0.1 150,-0.1 -0.502 360.0-116.7 -80.1 140.7 20.8 31.1 0.0 3 3 A E - 0 0 93 147,-0.3 150,-3.3 -2,-0.2 2,-0.6 -0.605 20.8-141.4 -76.5 133.7 20.4 30.8 3.8 4 4 A I E -a 153 0A 13 -2,-0.3 12,-0.5 148,-0.2 2,-0.4 -0.861 21.3-173.2 -98.6 120.3 20.6 27.3 5.3 5 5 A V E -ab 154 16A 0 148,-3.3 150,-3.2 -2,-0.6 2,-0.4 -0.960 14.8-145.3-120.2 126.9 18.1 26.6 8.1 6 6 A W E -ab 155 17A 4 10,-2.5 12,-3.7 -2,-0.4 2,-0.6 -0.751 4.9-164.9 -88.0 131.6 18.0 23.5 10.3 7 7 A V E +ab 156 18A 0 148,-3.2 150,-1.7 -2,-0.4 151,-0.3 -0.936 50.8 112.8-115.3 100.8 14.6 22.3 11.4 8 8 A H S S- 0 0 23 10,-1.5 12,-0.3 -2,-0.6 13,-0.3 -0.821 79.4 -92.1-163.2 178.5 15.7 20.0 14.2 9 9 A S S S+ 0 0 37 -2,-0.2 2,-0.3 10,-0.1 10,-0.1 0.612 100.9 40.0 -92.6 -11.1 15.8 19.4 18.0 10 10 A Q S S- 0 0 100 8,-0.1 2,-0.1 2,-0.0 -1,-0.1 -0.986 87.8 -99.4-143.1 146.3 19.1 21.1 18.8 11 11 A R - 0 0 177 -2,-0.3 2,-0.6 6,-0.1 5,-0.1 -0.406 24.4-159.4 -66.3 133.3 20.9 24.3 17.7 12 12 A I > - 0 0 39 3,-0.5 3,-1.6 -2,-0.1 -6,-0.1 -0.850 37.3-113.5-114.6 88.3 23.6 23.7 15.1 13 13 A A T 3 S+ 0 0 64 -2,-0.6 3,-0.1 1,-0.3 -2,-0.0 -0.401 89.6 13.0 -64.7 140.6 25.8 26.8 15.5 14 14 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 -0.940 109.3 90.2 -93.9 16.0 26.3 29.1 13.6 15 15 A Y S < S- 0 0 70 -3,-1.6 -3,-0.5 1,-0.1 -10,-0.1 -0.459 85.8-103.1 -77.1 140.8 23.4 28.1 11.4 16 16 A K E -b 5 0A 59 -12,-0.5 -10,-2.5 -2,-0.2 2,-0.4 -0.338 44.9-165.9 -51.8 131.1 19.9 29.4 12.0 17 17 A T E -b 6 0A 21 -12,-0.2 2,-0.7 -3,-0.1 -10,-0.2 -0.992 17.2-151.2-131.3 130.6 17.9 26.6 13.7 18 18 A L E -b 7 0A 0 -12,-3.7 -10,-1.5 -2,-0.4 2,-0.8 -0.882 11.4-174.6 -98.3 113.8 14.2 26.2 14.2 19 19 A I + 0 0 53 -2,-0.7 -10,-0.1 -12,-0.2 -12,-0.1 -0.866 18.5 157.4-109.2 95.3 13.4 24.2 17.3 20 20 A L + 0 0 0 -2,-0.8 116,-3.0 -12,-0.3 2,-0.3 0.490 51.8 60.5-101.4 -7.8 9.6 23.9 17.1 21 21 A N E -E 135 0B 17 -13,-0.3 2,-0.3 114,-0.3 114,-0.2 -0.786 61.1-162.4-116.5 162.4 9.0 20.8 19.3 22 22 A E E -E 134 0B 90 112,-2.9 112,-3.4 -2,-0.3 2,-0.4 -0.988 19.5-118.5-146.0 151.9 9.7 20.1 22.9 23 23 A F E -E 133 0B 63 -2,-0.3 2,-0.5 110,-0.2 110,-0.2 -0.756 21.1-159.8 -93.8 131.8 10.0 17.0 25.1 24 24 A C E -E 132 0B 36 108,-2.9 108,-1.8 -2,-0.4 2,-0.4 -0.954 12.1-142.5-112.8 132.8 7.7 16.6 28.0 25 25 A Y E -E 131 0B 61 -2,-0.5 106,-0.2 106,-0.2 105,-0.1 -0.790 10.5-164.6-102.4 137.7 8.6 14.1 30.7 26 26 A Y - 0 0 72 104,-2.2 26,-0.1 -2,-0.4 3,-0.0 -0.979 26.9-115.3-119.9 127.7 6.3 11.8 32.7 27 27 A P - 0 0 92 0, 0.0 2,-0.8 0, 0.0 22,-0.1 -0.246 28.6-113.6 -58.5 145.2 7.4 10.1 35.9 28 28 A L + 0 0 7 1,-0.2 102,-0.1 21,-0.1 30,-0.0 -0.767 37.0 175.7 -81.6 112.2 7.7 6.4 36.0 29 29 A E + 0 0 92 -2,-0.8 -1,-0.2 2,-0.1 99,-0.0 0.793 46.4 99.2 -87.1 -34.8 4.9 5.2 38.3 30 30 A L S S- 0 0 43 1,-0.1 -2,-0.0 2,-0.1 98,-0.0 -0.154 78.5-117.9 -55.7 142.4 5.4 1.5 37.8 31 31 A D - 0 0 94 1,-0.1 -1,-0.1 3,-0.0 -2,-0.1 -0.762 21.0-157.4 -76.5 119.0 7.4 -0.7 40.3 32 32 A P > + 0 0 2 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.511 64.4 105.0 -81.7 0.5 10.4 -2.0 38.3 33 33 A T T 3 S+ 0 0 108 1,-0.3 -3,-0.0 3,-0.0 -2,-0.0 0.800 73.6 56.8 -46.2 -43.3 10.9 -5.1 40.6 34 34 A P T 3 S+ 0 0 83 0, 0.0 2,-0.4 0, 0.0 -1,-0.3 0.581 94.2 88.7 -67.7 -7.3 9.4 -7.7 38.2 35 35 A F < + 0 0 30 -3,-2.1 67,-0.2 1,-0.1 3,-0.1 -0.789 39.7 173.2-107.1 134.0 11.8 -6.8 35.4 36 36 A N S S+ 0 0 75 65,-1.4 2,-0.3 -2,-0.4 66,-0.2 0.263 75.6 44.8-112.2 9.8 15.3 -8.1 34.5 37 37 A A E -f 102 0B 0 64,-1.4 66,-2.4 28,-0.1 2,-0.4 -0.971 60.6-164.1-149.5 138.5 15.6 -6.2 31.2 38 38 A L E -fg 103 67B 0 28,-2.3 30,-2.8 -2,-0.3 2,-0.4 -0.897 9.1-159.3-113.0 151.0 15.0 -2.7 30.0 39 39 A I E -fg 104 68B 0 64,-2.5 66,-2.1 -2,-0.4 2,-0.3 -0.999 8.2-177.2-133.9 138.5 14.7 -1.6 26.5 40 40 A F E -fg 105 69B 0 28,-1.8 30,-1.1 -2,-0.4 66,-0.1 -0.959 18.4-179.8-127.5 143.4 15.1 1.9 25.0 41 41 A T S S+ 0 0 35 64,-0.5 2,-0.3 -2,-0.3 33,-0.1 0.502 76.0 41.1-111.9 -17.4 14.7 3.2 21.4 42 42 A S >> - 0 0 20 63,-0.3 3,-0.9 1,-0.1 4,-0.8 -0.980 68.1-135.0-133.6 145.8 15.5 6.8 22.2 43 43 A K H 3> S+ 0 0 78 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.748 103.7 72.2 -61.5 -22.3 18.0 8.8 24.3 44 44 A N H 3> S+ 0 0 24 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.812 91.7 54.0 -68.7 -28.7 15.0 10.9 25.3 45 45 A A H <> S+ 0 0 1 -3,-0.9 4,-1.7 2,-0.2 -1,-0.2 0.846 108.8 50.1 -69.8 -35.2 13.6 8.1 27.4 46 46 A V H X S+ 0 0 0 -4,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.955 111.3 47.3 -64.9 -49.2 17.0 7.9 29.2 47 47 A F H X S+ 0 0 64 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.852 108.7 56.1 -61.4 -36.7 17.0 11.7 29.9 48 48 A S H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.928 108.4 46.6 -58.5 -49.3 13.4 11.5 31.1 49 49 A L H X S+ 0 0 0 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.945 110.2 53.6 -60.6 -48.5 14.3 8.9 33.8 50 50 A L H < S+ 0 0 40 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.852 116.8 38.0 -50.9 -41.7 17.4 10.9 34.9 51 51 A E H >< S+ 0 0 135 -4,-1.8 3,-0.8 -5,-0.2 -2,-0.2 0.942 118.5 42.1 -80.1 -52.7 15.2 14.1 35.4 52 52 A T H 3< S+ 0 0 43 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.706 127.0 34.2 -71.6 -19.9 12.0 12.8 36.9 53 53 A L T >< S+ 0 0 16 -4,-1.8 3,-2.3 -5,-0.3 6,-0.5 0.167 79.7 157.2-121.6 15.6 13.8 10.3 39.2 54 54 A K T < S- 0 0 66 -3,-0.8 -3,-0.1 1,-0.3 4,-0.1 -0.154 78.3 -3.9 -49.4 131.8 17.0 12.2 40.1 55 55 A N T 3 S+ 0 0 107 1,-0.2 -1,-0.3 -5,-0.1 -5,-0.0 0.370 102.7 135.3 61.8 -0.8 18.5 10.9 43.4 56 56 A S <> - 0 0 35 -3,-2.3 4,-1.4 1,-0.1 3,-0.3 -0.385 65.7-128.7 -74.2 149.2 15.5 8.6 43.8 57 57 A P H > S+ 0 0 91 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.804 109.5 65.3 -66.0 -23.3 16.1 4.9 44.8 58 58 A K H > S+ 0 0 46 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.891 99.9 50.2 -63.0 -38.4 13.9 4.0 41.8 59 59 A L H > S+ 0 0 13 -6,-0.5 4,-2.5 -3,-0.3 -1,-0.2 0.897 107.9 52.0 -65.4 -43.8 16.5 5.4 39.5 60 60 A K H X S+ 0 0 127 -4,-1.4 4,-0.6 2,-0.2 -2,-0.2 0.927 109.7 50.4 -57.5 -46.3 19.3 3.4 41.2 61 61 A X H >< S+ 0 0 95 -4,-2.2 3,-1.1 1,-0.2 4,-0.3 0.922 111.8 47.7 -53.7 -50.8 17.1 0.2 40.7 62 62 A L H >< S+ 0 0 0 -4,-2.2 3,-1.1 1,-0.3 22,-0.3 0.850 107.2 55.1 -61.3 -37.9 16.7 1.1 37.1 63 63 A Q H 3< S+ 0 0 22 -4,-2.5 21,-0.6 1,-0.2 -1,-0.3 0.614 106.8 55.1 -70.0 -11.3 20.4 1.7 36.6 64 64 A N T << S+ 0 0 101 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.470 87.7 89.1 -98.3 -7.9 20.9 -1.8 38.0 65 65 A I S < S- 0 0 17 -3,-1.1 19,-0.3 -4,-0.3 -27,-0.1 -0.834 92.5-102.6 -97.8 122.1 18.7 -3.6 35.5 66 66 A P - 0 0 40 0, 0.0 -28,-2.3 0, 0.0 2,-0.4 -0.169 43.2-149.7 -47.2 127.5 20.4 -4.8 32.3 67 67 A A E -gh 38 85B 0 17,-3.0 19,-2.4 -30,-0.2 2,-0.3 -0.871 12.2-164.3-112.2 135.3 19.5 -2.4 29.5 68 68 A Y E -g 39 0B 14 -30,-2.8 -28,-1.8 -2,-0.4 2,-0.3 -0.827 6.2-168.9-114.0 150.3 19.2 -3.0 25.8 69 69 A A E -g 40 0B 6 -2,-0.3 -28,-0.2 -30,-0.2 3,-0.0 -0.969 24.4-140.6-140.2 157.7 19.1 -0.5 23.0 70 70 A L S S+ 0 0 83 -30,-1.1 2,-0.3 -2,-0.3 -29,-0.1 0.667 85.7 35.6 -94.5 -17.1 18.2 -0.6 19.3 71 71 A S S > S- 0 0 52 1,-0.1 4,-2.0 0, 0.0 5,-0.1 -0.928 79.8-116.8-135.2 158.1 20.9 1.8 18.1 72 72 A E H > S+ 0 0 78 -2,-0.3 4,-3.3 1,-0.2 5,-0.2 0.900 111.9 55.5 -59.6 -46.8 24.5 2.6 19.1 73 73 A P H > S+ 0 0 85 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.884 109.4 46.9 -54.4 -43.5 23.7 6.3 20.1 74 74 A T H > S+ 0 0 5 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.917 112.5 50.2 -66.5 -42.7 21.1 5.1 22.6 75 75 A A H X S+ 0 0 20 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.925 111.4 48.6 -57.7 -46.1 23.5 2.4 23.9 76 76 A K H X S+ 0 0 124 -4,-3.3 4,-3.4 2,-0.2 5,-0.2 0.911 109.7 52.1 -61.6 -42.2 26.2 5.1 24.3 77 77 A T H X S+ 0 0 15 -4,-2.4 4,-1.3 -5,-0.2 -2,-0.2 0.915 111.7 46.3 -59.9 -44.3 23.7 7.4 26.1 78 78 A L H <>S+ 0 0 0 -4,-2.4 5,-2.2 2,-0.2 3,-0.3 0.937 115.0 47.6 -59.2 -47.2 22.8 4.6 28.5 79 79 A Q H ><5S+ 0 0 120 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.928 110.6 50.9 -61.0 -49.8 26.5 3.8 29.0 80 80 A D H 3<5S+ 0 0 84 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.740 109.1 52.6 -61.3 -26.4 27.5 7.5 29.6 81 81 A H T 3<5S- 0 0 72 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.038 119.3 -99.7-108.5 28.5 24.8 8.0 32.2 82 82 A H T < 5S+ 0 0 150 -3,-1.4 -3,-0.2 1,-0.2 2,-0.2 0.644 71.4 143.6 73.2 20.6 25.6 5.0 34.5 83 83 A F < - 0 0 10 -5,-2.2 2,-0.9 -6,-0.2 -1,-0.2 -0.546 60.0-106.6 -82.0 155.7 23.0 2.5 33.4 84 84 A K - 0 0 87 -21,-0.6 -17,-3.0 -22,-0.3 2,-0.5 -0.768 36.7-154.8 -81.7 103.4 23.9 -1.2 33.3 85 85 A V B -h 67 0B 40 -2,-0.9 -17,-0.2 -19,-0.2 3,-0.1 -0.701 13.0-129.5 -87.6 123.6 24.2 -2.0 29.6 86 86 A A - 0 0 13 -19,-2.4 2,-0.3 -2,-0.5 -17,-0.1 -0.298 29.1 -93.2 -69.1 150.3 23.7 -5.6 28.6 87 87 A F + 0 0 157 1,-0.1 -1,-0.1 -19,-0.0 3,-0.1 -0.477 43.4 177.4 -56.6 122.0 26.0 -7.7 26.6 88 88 A X - 0 0 55 1,-0.3 -1,-0.1 -2,-0.3 8,-0.1 0.182 44.4 -97.4-120.5 17.3 24.8 -7.4 22.9 89 89 A G 0 0 42 4,-0.0 -1,-0.3 0, 0.0 4,-0.0 -0.070 360.0 360.0 96.3 168.1 27.4 -9.5 21.1 90 90 A E 0 0 235 -3,-0.1 -3,-0.0 -2,-0.0 0, 0.0 -0.529 360.0 360.0 -80.8 360.0 30.6 -9.0 19.2 91 ! 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 92 100 A E 0 0 170 0, 0.0 4,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -10.6 19.2 -9.9 16.7 93 101 A I >> + 0 0 16 1,-0.1 4,-0.9 2,-0.1 3,-0.6 0.613 360.0 82.0 -88.0 -10.2 18.8 -8.6 20.1 94 102 A F H >> S+ 0 0 31 1,-0.3 3,-0.8 2,-0.2 4,-0.6 0.879 86.5 54.1 -63.3 -35.1 15.4 -10.3 20.2 95 103 A P H >4 S+ 0 0 89 0, 0.0 3,-0.6 0, 0.0 -1,-0.3 0.819 103.5 56.6 -64.2 -31.9 16.9 -13.6 21.0 96 104 A L H <4 S+ 0 0 63 -3,-0.6 -2,-0.2 -4,-0.3 -3,-0.1 0.701 106.5 51.8 -71.4 -19.3 18.7 -12.1 24.0 97 105 A L H X< S+ 0 0 0 -4,-0.9 3,-1.8 -3,-0.8 27,-0.3 0.542 81.4 113.0 -94.9 -10.5 15.3 -11.0 25.2 98 106 A E T << S+ 0 0 46 -4,-0.6 3,-0.1 -3,-0.6 25,-0.1 -0.387 85.4 16.4 -61.7 139.1 13.7 -14.4 25.0 99 107 A K T 3 S+ 0 0 214 1,-0.2 2,-0.3 -2,-0.0 -1,-0.3 0.566 106.1 116.0 70.0 13.0 12.8 -15.7 28.5 100 108 A K < - 0 0 63 -3,-1.8 2,-0.7 -65,-0.0 24,-0.6 -0.788 69.0-127.1-108.5 153.2 13.2 -12.2 30.0 101 109 A S E - i 0 124B 34 -2,-0.3 -65,-1.4 -3,-0.1 -64,-1.4 -0.903 40.5-162.1 -94.6 109.4 10.7 -9.8 31.7 102 110 A V E -fi 37 125B 0 22,-2.7 24,-2.6 -2,-0.7 2,-0.6 -0.747 20.1-160.6-106.8 135.5 11.2 -6.6 29.7 103 111 A L E -fi 38 126B 4 -66,-2.4 -64,-2.5 -2,-0.4 2,-0.7 -0.964 11.7-156.4-113.1 116.4 10.3 -3.0 30.5 104 112 A Y E -fi 39 127B 6 22,-3.0 24,-2.5 -2,-0.6 2,-0.7 -0.838 2.0-156.5 -93.7 112.9 10.1 -0.8 27.4 105 113 A L E +fi 40 128B 0 -66,-2.1 -64,-0.5 -2,-0.7 -63,-0.3 -0.812 36.9 166.9 -92.3 112.8 10.6 2.9 28.4 106 114 A R E - i 0 129B 16 22,-2.6 24,-2.7 -2,-0.7 25,-1.1 -0.700 40.3 -94.8-132.6 168.8 8.9 4.7 25.5 107 115 A A E - i 0 131B 6 -2,-0.2 25,-0.2 2,-0.2 4,-0.1 -0.480 31.7-128.0 -76.2 153.1 7.5 7.7 23.7 108 116 A K S S+ 0 0 114 23,-2.0 24,-0.1 -2,-0.2 -1,-0.1 0.874 90.4 76.1 -66.7 -40.0 3.7 8.4 23.9 109 117 A E S S- 0 0 55 22,-0.2 2,-0.7 1,-0.1 -2,-0.2 -0.406 90.0-114.2 -79.6 151.2 3.6 8.7 20.1 110 118 A I + 0 0 138 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 -0.771 56.2 138.6 -86.8 113.0 3.7 5.7 17.8 111 119 A V S S+ 0 0 118 -2,-0.7 -1,-0.2 -4,-0.1 0, 0.0 0.635 79.3 4.9-116.9 -75.6 6.9 5.8 15.8 112 120 A S S S- 0 0 55 4,-0.0 5,-0.2 3,-0.0 -2,-0.1 0.571 82.3-140.7 -86.2 -9.5 8.6 2.4 15.3 113 121 A S >> + 0 0 39 1,-0.1 4,-1.4 3,-0.1 3,-1.0 0.915 34.3 169.2 34.7 57.4 5.8 0.4 17.1 114 122 A L H 3> + 0 0 2 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.775 67.8 72.0 -60.5 -25.0 8.4 -1.8 18.8 115 123 A D H 3> S+ 0 0 43 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.883 99.2 44.4 -58.2 -40.3 5.5 -3.1 20.9 116 124 A T H <> S+ 0 0 59 -3,-1.0 4,-2.9 2,-0.2 -1,-0.2 0.929 113.2 51.2 -68.7 -45.6 4.1 -5.0 17.9 117 125 A I H X S+ 0 0 56 -4,-1.4 4,-1.4 2,-0.2 -2,-0.2 0.899 112.3 46.4 -57.5 -44.3 7.6 -6.3 17.0 118 126 A L H <>S+ 0 0 0 -4,-3.1 5,-2.1 2,-0.2 3,-0.4 0.943 112.3 49.8 -62.8 -48.9 8.1 -7.5 20.5 119 127 A L H ><5S+ 0 0 130 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.895 108.8 53.6 -55.7 -43.0 4.7 -9.1 20.6 120 128 A E H 3<5S+ 0 0 155 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.820 107.8 50.3 -63.4 -31.0 5.5 -10.8 17.3 121 129 A H T 3<5S- 0 0 108 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.438 115.6-117.1 -86.8 2.9 8.7 -12.2 18.8 122 130 A G T < 5 + 0 0 67 -3,-1.4 2,-0.4 -4,-0.3 -3,-0.2 0.844 55.6 164.0 64.1 37.5 6.7 -13.6 21.8 123 131 A I < - 0 0 13 -5,-2.1 2,-0.9 -25,-0.1 -1,-0.2 -0.725 42.0-126.8 -88.8 132.8 8.6 -11.4 24.3 124 132 A D E + i 0 101B 92 -24,-0.6 -22,-2.7 -2,-0.4 2,-0.3 -0.710 53.8 152.1 -76.4 104.3 7.2 -11.0 27.8 125 133 A F E - i 0 102B 34 -2,-0.9 2,-0.3 -24,-0.2 -22,-0.2 -0.960 38.7-158.7-140.1 152.2 7.1 -7.1 28.1 126 134 A K E - i 0 103B 122 -24,-2.6 -22,-3.0 -2,-0.3 2,-0.4 -0.920 19.4-144.2-118.9 154.8 5.4 -4.1 29.6 127 135 A Q E - i 0 104B 76 -2,-0.3 2,-0.4 -24,-0.2 -22,-0.2 -0.952 12.0-172.5-118.0 138.8 5.5 -0.6 28.2 128 136 A A E - i 0 105B 19 -24,-2.5 -22,-2.6 -2,-0.4 2,-0.6 -0.987 21.7-135.4-131.3 127.1 5.6 2.7 30.1 129 137 A V E + i 0 106B 58 -2,-0.4 -22,-0.2 -24,-0.2 3,-0.1 -0.649 32.4 164.0 -73.0 114.1 5.3 6.1 28.4 130 138 A V E + 0 0 0 -24,-2.7 -104,-2.2 -2,-0.6 2,-0.3 0.486 59.4 19.9-114.9 -4.9 8.0 8.4 29.9 131 139 A Y E -Ei 25 107B 16 -25,-1.1 -23,-2.0 -106,-0.2 2,-0.3 -0.995 52.7-156.2-157.5 162.5 8.1 11.2 27.3 132 140 A E E -E 24 0B 47 -108,-1.8 -108,-2.9 -2,-0.3 2,-0.7 -0.995 18.2-138.5-139.9 137.5 6.2 12.9 24.6 133 141 A N E -E 23 0B 33 -2,-0.3 2,-0.3 -110,-0.2 -110,-0.2 -0.893 39.5-176.5 -96.3 112.5 7.6 15.0 21.7 134 142 A K E -E 22 0B 80 -112,-3.4 -112,-2.9 -2,-0.7 2,-0.1 -0.870 30.3-103.2-123.5 144.6 5.2 17.9 21.5 135 143 A L E -E 21 0B 44 -2,-0.3 -114,-0.3 -114,-0.2 2,-0.1 -0.405 41.4-119.8 -61.1 129.5 4.6 21.0 19.4 136 144 A K - 0 0 54 -116,-3.0 2,-0.9 -2,-0.1 -1,-0.1 -0.377 14.3-128.1 -66.7 149.6 5.7 24.3 21.0 137 145 A H - 0 0 154 -2,-0.1 2,-0.4 -116,-0.0 -1,-0.1 -0.882 36.0-167.4 -98.1 98.5 3.1 27.0 21.6 138 146 A L - 0 0 21 -2,-0.9 -118,-0.0 -118,-0.1 -3,-0.0 -0.765 15.0-130.0 -96.8 136.8 4.8 30.0 20.0 139 147 A T > - 0 0 75 -2,-0.4 4,-2.4 1,-0.1 5,-0.1 -0.246 31.5-104.7 -70.3 164.5 3.8 33.6 20.4 140 148 A L H > S+ 0 0 125 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.922 123.8 51.0 -55.1 -47.3 3.3 35.8 17.3 141 149 A S H > S+ 0 0 93 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.894 108.7 50.5 -58.9 -45.2 6.5 37.5 18.1 142 150 A E H > S+ 0 0 88 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.902 109.9 52.2 -59.2 -41.6 8.4 34.2 18.4 143 151 A Q H X S+ 0 0 44 -4,-2.4 4,-1.3 1,-0.2 3,-0.3 0.912 107.0 50.5 -62.0 -46.8 6.9 33.1 15.0 144 152 A N H < S+ 0 0 113 -4,-2.2 3,-0.2 1,-0.2 -1,-0.2 0.870 110.0 51.1 -61.5 -38.8 8.1 36.3 13.1 145 153 A A H < S+ 0 0 73 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.781 113.9 44.7 -66.2 -29.3 11.6 35.9 14.5 146 154 A L H < S+ 0 0 39 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.630 80.7 116.4 -93.4 -13.9 11.7 32.2 13.3 147 155 A K S < S- 0 0 94 -4,-1.3 -3,-0.0 -3,-0.2 22,-0.0 -0.361 70.2-120.6 -60.0 125.1 10.2 32.7 9.8 148 156 A P - 0 0 5 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.273 26.3-106.2 -62.3 152.1 12.9 31.7 7.3 149 157 A K > - 0 0 44 1,-0.1 3,-1.5 2,-0.1 -146,-0.0 -0.395 51.9 -82.3 -67.4 158.5 14.1 34.3 4.8 150 158 A E T 3 S+ 0 0 131 1,-0.2 -147,-0.3 -2,-0.1 -1,-0.1 -0.267 116.4 24.9 -60.5 151.9 12.8 33.7 1.2 151 159 A K T 3 S+ 0 0 130 1,-0.2 -1,-0.2 -149,-0.1 24,-0.1 0.487 89.1 157.5 67.9 6.4 14.8 31.2 -0.9 152 160 A S < - 0 0 0 -3,-1.5 24,-1.9 -150,-0.1 2,-0.6 -0.217 43.7-129.6 -55.0 145.4 16.0 29.5 2.3 153 161 A I E -ac 4 176A 0 -150,-3.3 -148,-3.3 22,-0.2 2,-0.5 -0.922 26.8-156.2 -96.0 121.2 17.2 25.9 2.2 154 162 A L E -ac 5 177A 0 22,-2.6 24,-3.0 -2,-0.6 2,-0.7 -0.880 5.9-154.4-110.1 122.0 15.4 24.0 5.0 155 163 A I E -ac 6 178A 0 -150,-3.2 -148,-3.2 -2,-0.5 2,-0.6 -0.828 7.4-163.6 -97.1 110.9 16.8 20.8 6.6 156 164 A F E -ac 7 179A 0 22,-3.3 24,-1.9 -2,-0.7 -148,-0.2 -0.855 9.4-178.2 -97.3 121.2 14.2 18.5 8.1 157 165 A T + 0 0 17 -150,-1.7 2,-0.3 -2,-0.6 -1,-0.1 0.457 67.0 4.2-100.6 -3.4 15.7 15.9 10.4 158 166 A A S > S- 0 0 33 -151,-0.3 4,-1.5 1,-0.1 3,-0.2 -0.952 74.9-103.6-168.3 161.7 12.5 14.1 11.3 159 167 A I H > S+ 0 0 69 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.900 116.7 60.9 -58.0 -44.9 8.8 14.0 10.5 160 168 A S H > S+ 0 0 33 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.886 105.6 49.2 -53.7 -38.3 7.8 15.8 13.8 161 169 A H H > S+ 0 0 11 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.890 111.0 47.4 -69.6 -42.0 9.9 18.7 12.6 162 170 A A H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 5,-0.2 0.937 113.4 49.9 -59.7 -48.6 8.3 18.9 9.1 163 171 A K H X S+ 0 0 136 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.924 112.3 46.2 -55.9 -49.6 4.9 18.6 10.8 164 172 A A H X S+ 0 0 3 -4,-2.5 4,-1.4 -5,-0.2 -1,-0.2 0.884 111.0 53.1 -64.7 -40.0 5.6 21.4 13.2 165 173 A F H >X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 3,-0.7 0.961 110.2 46.6 -58.7 -50.0 7.1 23.6 10.5 166 174 A L H 3< S+ 0 0 47 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.794 104.7 62.6 -68.5 -27.8 4.0 23.3 8.3 167 175 A H H 3< S+ 0 0 128 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.910 120.0 23.2 -56.2 -41.8 1.8 24.0 11.3 168 176 A Y H << S+ 0 0 41 -4,-1.4 2,-0.4 -3,-0.7 -2,-0.2 0.762 120.0 46.0-100.4 -29.0 3.3 27.4 11.6 169 177 A F S < S- 0 0 14 -4,-2.8 2,-0.2 -5,-0.2 -1,-0.1 -0.946 71.5-118.8-130.8 138.9 4.7 28.5 8.3 170 178 A E - 0 0 139 -2,-0.4 2,-1.1 1,-0.1 -3,-0.0 -0.471 31.5-126.8 -63.3 135.7 3.7 28.5 4.6 171 179 A F - 0 0 40 -2,-0.2 2,-0.1 -5,-0.1 -1,-0.1 -0.826 29.6-146.1 -87.9 101.3 6.1 26.4 2.5 172 180 A L > - 0 0 20 -2,-1.1 3,-1.5 1,-0.1 -3,-0.0 -0.381 15.7-124.6 -65.7 142.9 7.0 28.9 -0.1 173 181 A E T 3 S+ 0 0 110 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.815 111.3 58.4 -59.0 -30.0 7.7 27.6 -3.6 174 182 A N T 3 S+ 0 0 54 2,-0.1 -1,-0.3 -21,-0.0 2,-0.1 0.520 85.5 95.2 -82.9 -6.4 11.1 29.2 -3.5 175 183 A Y < - 0 0 7 -3,-1.5 2,-0.5 -24,-0.1 -22,-0.2 -0.511 68.2-143.9 -71.1 152.9 12.2 27.3 -0.3 176 184 A T E -c 153 0A 27 -24,-1.9 -22,-2.6 -2,-0.1 2,-0.3 -0.987 12.6-148.6-119.5 120.4 14.2 24.1 -1.0 177 185 A A E -cd 154 195A 3 17,-0.5 19,-2.2 -2,-0.5 2,-0.4 -0.666 8.7-165.0 -86.4 139.5 13.5 21.2 1.4 178 186 A I E -cd 155 196A 0 -24,-3.0 -22,-3.3 -2,-0.3 2,-0.4 -0.987 6.4-156.5-119.7 135.5 16.1 18.7 2.4 179 187 A S E -cd 156 197A 0 17,-3.1 19,-2.4 -2,-0.4 -22,-0.2 -0.924 17.4-143.2-112.6 138.1 15.2 15.4 4.1 180 188 A I S S- 0 0 26 -24,-1.9 2,-0.3 -2,-0.4 22,-0.2 0.845 84.3 -15.8 -62.8 -34.9 17.5 13.4 6.3 181 189 A G S > S- 0 0 15 20,-0.1 4,-2.2 16,-0.1 3,-0.4 -0.929 81.5 -82.7-160.6 178.5 16.0 10.1 4.9 182 190 A N H > S+ 0 0 102 -2,-0.3 4,-3.4 1,-0.2 5,-0.3 0.753 117.1 63.4 -70.8 -25.7 12.9 8.9 2.9 183 191 A T H > S+ 0 0 95 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.949 111.8 39.4 -62.9 -42.5 10.5 8.6 5.9 184 192 A T H > S+ 0 0 2 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.950 118.1 49.0 -65.1 -49.1 10.8 12.4 6.3 185 193 A A H X S+ 0 0 5 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.872 110.7 49.1 -60.5 -40.9 10.8 13.0 2.5 186 194 A L H X S+ 0 0 97 -4,-3.4 4,-1.7 2,-0.2 -1,-0.2 0.807 109.2 53.0 -75.0 -28.3 7.8 10.8 1.9 187 195 A Y H X S+ 0 0 39 -4,-1.4 4,-1.4 -5,-0.3 -2,-0.2 0.957 111.1 46.9 -64.3 -51.8 5.9 12.5 4.6 188 196 A L H <>S+ 0 0 0 -4,-2.5 5,-2.9 1,-0.2 3,-0.3 0.898 110.4 52.6 -53.4 -43.7 6.7 15.9 3.0 189 197 A Q H ><5S+ 0 0 130 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.864 103.0 57.5 -64.9 -34.9 5.7 14.5 -0.4 190 198 A E H 3<5S+ 0 0 150 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.857 106.2 51.4 -58.8 -34.8 2.3 13.4 1.1 191 199 A Q T 3<5S- 0 0 86 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.357 128.1-103.5 -82.8 3.6 1.9 17.1 1.9 192 200 A G T < 5S+ 0 0 63 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.643 81.4 130.8 82.6 15.2 2.7 18.1 -1.7 193 201 A I < - 0 0 16 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.2 -0.890 45.9-149.7-111.5 117.5 6.3 19.1 -0.8 194 202 A P + 0 0 101 0, 0.0 -17,-0.5 0, 0.0 2,-0.3 -0.423 22.3 172.0 -75.3 153.8 9.3 18.0 -2.8 195 203 A S E -d 177 0A 31 -19,-0.1 2,-0.3 -2,-0.1 -17,-0.2 -0.983 32.0-119.0-154.8 157.5 12.7 17.6 -1.2 196 204 A Y E -d 178 0A 138 -19,-2.2 -17,-3.1 -2,-0.3 2,-0.5 -0.747 32.6-133.8 -93.2 149.0 16.2 16.3 -1.8 197 205 A I E -d 179 0A 77 -2,-0.3 -17,-0.2 -19,-0.2 -16,-0.1 -0.887 16.1-112.9-111.6 132.7 17.4 13.5 0.4 198 206 A A - 0 0 8 -19,-2.4 8,-0.1 -2,-0.5 7,-0.1 -0.182 26.2-121.6 -51.3 148.7 20.8 13.2 2.1 199 207 A K S S+ 0 0 204 6,-0.3 -1,-0.1 1,-0.1 -19,-0.0 0.721 100.9 17.5 -72.1 -23.0 23.0 10.4 0.8 200 208 A K S S- 0 0 154 2,-0.2 2,-2.2 -20,-0.1 -1,-0.1 -0.947 94.6-106.0-138.5 150.5 23.2 8.9 4.4 201 209 A P S S+ 0 0 106 0, 0.0 2,-0.3 0, 0.0 -20,-0.1 -0.404 80.0 113.0 -83.5 69.0 20.8 9.7 7.1 202 210 A S S > S- 0 0 36 -2,-2.2 4,-1.6 -22,-0.2 -2,-0.2 -0.909 76.5-120.3-130.1 158.6 23.2 11.9 9.2 203 211 A L H > S+ 0 0 60 -2,-0.3 4,-1.8 2,-0.2 5,-0.2 0.879 115.1 57.6 -61.8 -38.9 23.3 15.6 10.0 204 212 A E H > S+ 0 0 145 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.918 106.2 46.6 -58.6 -48.7 26.7 15.7 8.2 205 213 A A H > S+ 0 0 17 1,-0.2 4,-2.1 2,-0.2 -6,-0.3 0.821 108.3 57.8 -64.2 -31.5 25.2 14.4 5.0 206 214 A C H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.870 108.2 46.1 -63.8 -40.6 22.3 16.9 5.2 207 215 A L H X S+ 0 0 40 -4,-1.8 4,-3.4 2,-0.2 5,-0.3 0.901 108.3 54.7 -70.9 -40.4 24.8 19.8 5.4 208 216 A E H X S+ 0 0 142 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.958 112.8 44.7 -54.9 -49.4 26.9 18.5 2.4 209 217 A L H X S+ 0 0 36 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.938 113.6 49.4 -59.6 -49.6 23.7 18.4 0.4 210 218 A A H >< S+ 0 0 0 -4,-2.5 3,-1.4 1,-0.2 4,-0.5 0.919 111.2 49.3 -56.1 -46.5 22.6 21.8 1.6 211 219 A L H >< S+ 0 0 56 -4,-3.4 3,-0.8 1,-0.3 -1,-0.2 0.825 102.5 60.8 -66.0 -32.8 26.0 23.4 0.8 212 220 A S H 3< S+ 0 0 91 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.654 112.1 41.8 -64.9 -13.6 26.0 21.9 -2.7 213 221 A L T << 0 0 56 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.459 360.0 360.0-112.3 -5.0 22.9 24.0 -3.3 214 222 A R < 0 0 142 -3,-0.8 -212,-1.9 -4,-0.5 -2,-0.1 0.742 360.0 360.0 -69.6 360.0 23.7 27.3 -1.6