==== 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 OXIDOREDUCTASE 02-NOV-05 2D5I . COMPND 2 MOLECULE: AZO REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.ITO,M.TANOKURA . 200 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10133.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 148 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 3.0 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 . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 20 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 0 0 0 0 1 1 0 0 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 1 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 1 A S 0 0 72 0, 0.0 35,-1.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-165.3 66.5 6.9 26.8 2 2 A K E -a 36 0A 79 33,-0.2 86,-2.1 83,-0.0 85,-2.0 -0.973 360.0-153.6-120.6 134.0 65.5 9.6 24.3 3 3 A V E -ab 37 88A 1 33,-2.5 35,-2.5 -2,-0.4 2,-0.6 -0.904 1.0-157.4-114.2 124.9 65.6 8.9 20.6 4 4 A L E -ab 38 89A 0 84,-3.6 86,-4.4 -2,-0.5 2,-0.6 -0.920 7.4-166.8-102.6 126.5 66.1 11.6 17.9 5 5 A V E -ab 39 90A 0 33,-3.0 35,-2.8 -2,-0.6 2,-0.6 -0.931 2.3-171.4-112.8 111.5 64.9 10.9 14.4 6 6 A L E -ab 40 91A 1 84,-3.6 86,-3.0 -2,-0.6 2,-0.4 -0.913 3.8-166.2-103.2 119.5 66.0 13.1 11.6 7 7 A K E +a 41 0A 26 33,-2.4 35,-2.3 -2,-0.6 36,-0.3 -0.842 15.3 168.0-101.1 144.3 64.3 12.6 8.2 8 8 A S + 0 0 0 -2,-0.4 95,-0.3 34,-0.2 96,-0.3 0.458 30.1 123.3-143.1 2.2 65.8 14.2 5.1 9 9 A S - 0 0 3 1,-0.1 3,-0.4 94,-0.1 34,-0.1 -0.289 49.4-150.5 -58.9 146.5 64.1 12.7 2.0 10 10 A I S S+ 0 0 92 1,-0.2 -1,-0.1 33,-0.1 0, 0.0 0.272 86.3 78.4 -99.8 13.5 62.3 15.0 -0.6 11 11 A L S > S- 0 0 96 1,-0.2 3,-1.8 2,-0.0 4,-0.2 0.299 74.8-165.3-111.0 8.7 59.9 12.2 -1.4 12 12 A A G > S+ 0 0 68 -3,-0.4 3,-1.7 1,-0.3 -1,-0.2 -0.135 71.3 2.5 51.5-127.1 57.6 12.4 1.6 13 13 A G G 3 S+ 0 0 62 1,-0.3 -1,-0.3 5,-0.1 -2,-0.0 0.730 131.5 59.6 -67.0 -25.8 55.3 9.3 2.0 14 14 A Y G < S+ 0 0 202 -3,-1.8 -1,-0.3 4,-0.0 -2,-0.2 0.550 81.3 120.8 -76.1 -8.4 56.9 7.6 -0.9 15 15 A S <> - 0 0 1 -3,-1.7 4,-2.1 -4,-0.2 5,-0.1 -0.364 52.3-157.9 -63.6 125.0 60.4 7.8 0.8 16 16 A Q H > S+ 0 0 42 2,-0.2 4,-2.2 -2,-0.2 -1,-0.1 0.899 96.0 48.6 -65.0 -44.2 62.2 4.5 1.4 17 17 A S H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.830 110.9 51.5 -69.9 -33.6 64.3 6.0 4.3 18 18 A N H > S+ 0 0 9 2,-0.2 4,-2.8 -6,-0.2 5,-0.2 0.913 107.5 51.5 -68.9 -41.5 61.2 7.5 5.9 19 19 A Q H X S+ 0 0 84 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.955 113.5 46.6 -60.9 -40.1 59.4 4.2 5.8 20 20 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.838 110.6 51.0 -66.2 -33.1 62.5 2.7 7.5 21 21 A S H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.882 109.8 51.7 -68.8 -42.1 62.7 5.5 10.1 22 22 A D H X S+ 0 0 65 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.908 108.7 49.0 -61.6 -46.7 59.1 4.9 10.8 23 23 A Y H X S+ 0 0 37 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.905 108.8 54.2 -56.1 -45.7 59.7 1.2 11.4 24 24 A F H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.966 108.3 49.8 -53.1 -54.8 62.6 2.1 13.6 25 25 A V H X S+ 0 0 11 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.926 109.9 49.6 -47.4 -53.9 60.3 4.2 15.7 26 26 A E H X S+ 0 0 116 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.954 112.4 48.8 -54.6 -48.6 57.6 1.4 16.0 27 27 A Q H X S+ 0 0 36 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.857 110.9 48.9 -62.7 -35.4 60.2 -1.0 17.1 28 28 A W H X S+ 0 0 8 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.939 110.4 50.3 -71.1 -46.2 61.7 1.3 19.7 29 29 A R H < S+ 0 0 155 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.832 113.1 49.9 -54.6 -34.2 58.2 2.1 21.2 30 30 A E H < S+ 0 0 140 -4,-2.0 3,-0.5 -5,-0.2 -2,-0.2 0.959 120.9 30.0 -72.6 -52.8 57.6 -1.6 21.4 31 31 A K H < S+ 0 0 115 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.771 133.5 28.4 -82.4 -24.6 60.8 -2.7 23.1 32 32 A H >< + 0 0 58 -4,-2.7 3,-1.1 -5,-0.2 -1,-0.2 -0.601 67.4 164.9-139.1 65.5 61.5 0.5 25.2 33 33 A S T 3 S+ 0 0 103 -3,-0.5 -1,-0.1 1,-0.3 -4,-0.1 0.581 70.0 64.3 -72.8 -12.3 58.1 2.1 25.9 34 34 A A T 3 S+ 0 0 102 2,-0.1 -1,-0.3 0, 0.0 -5,-0.1 0.871 86.6 99.9 -63.0 -35.5 59.3 4.4 28.7 35 35 A D < - 0 0 32 -3,-1.1 2,-0.3 -7,-0.2 -33,-0.2 -0.028 68.7-136.5 -64.0 141.3 61.5 6.2 26.0 36 36 A E E -a 2 0A 112 -35,-1.1 -33,-2.5 2,-0.0 2,-0.4 -0.799 16.4-155.4 -96.6 153.2 60.5 9.5 24.4 37 37 A I E -a 3 0A 31 -2,-0.3 2,-0.4 -35,-0.2 -33,-0.2 -0.985 7.4-166.0-132.4 131.1 60.9 10.0 20.7 38 38 A T E -a 4 0A 37 -35,-2.5 -33,-3.0 -2,-0.4 2,-0.5 -0.990 5.1-163.3-120.8 130.3 61.3 13.1 18.7 39 39 A V E -a 5 0A 68 -2,-0.4 2,-0.5 -35,-0.2 -33,-0.2 -0.949 5.9-176.1-115.4 119.6 60.9 13.3 15.0 40 40 A R E -a 6 0A 29 -35,-2.8 -33,-2.4 -2,-0.5 2,-0.8 -0.978 10.5-159.2-116.1 118.9 62.2 16.2 12.9 41 41 A D E > -a 7 0A 35 -2,-0.5 4,-2.4 -35,-0.2 -33,-0.2 -0.883 1.8-167.0 -96.4 101.7 61.5 16.1 9.2 42 42 A L T 4>S+ 0 0 0 -35,-2.3 5,-0.5 -2,-0.8 -34,-0.2 0.496 87.9 52.0 -75.0 -8.5 64.0 18.5 7.6 43 43 A A T 45S+ 0 0 34 -36,-0.3 -1,-0.2 3,-0.1 -35,-0.1 0.844 115.1 39.0 -85.6 -47.1 62.0 18.4 4.3 44 44 A A T 45S+ 0 0 71 1,-0.3 -2,-0.2 2,-0.0 -36,-0.0 0.790 129.9 33.6 -71.0 -27.2 58.6 19.3 5.9 45 45 A N T <5S- 0 0 95 -4,-2.4 -1,-0.3 2,-0.0 -2,-0.0 -0.766 97.0-155.3-125.7 74.8 60.3 21.8 8.3 46 46 A P T 5 - 0 0 95 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.290 9.0-141.0 -65.2 139.0 63.1 23.0 6.1 47 47 A I < - 0 0 8 -5,-0.5 59,-0.1 56,-0.3 60,-0.1 -0.733 33.8-109.9 -88.6 138.8 66.4 24.5 7.5 48 48 A P - 0 0 51 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.244 35.0 -94.0 -69.2 154.8 67.7 27.5 5.4 49 49 A V - 0 0 85 1,-0.1 2,-0.8 60,-0.0 5,-0.2 -0.586 39.1-112.2 -58.7 133.8 70.7 27.3 3.2 50 50 A L + 0 0 54 -2,-0.3 2,-0.2 4,-0.1 -1,-0.1 -0.626 53.6 163.3 -68.6 107.3 74.0 28.6 4.8 51 51 A D > - 0 0 61 -2,-0.8 4,-2.1 0, 0.0 5,-0.2 -0.535 54.6 -78.2-117.7-174.4 74.8 31.8 2.9 52 52 A G T 4 S+ 0 0 75 1,-0.2 4,-0.3 2,-0.2 -2,-0.1 0.644 128.1 42.2 -55.5 -24.3 77.1 34.8 3.4 53 53 A E T >> S+ 0 0 62 2,-0.1 3,-0.9 3,-0.1 4,-0.7 0.855 112.9 48.7 -92.5 -50.2 74.7 36.4 5.8 54 54 A L G >4 S+ 0 0 3 1,-0.2 3,-0.7 -5,-0.2 4,-0.5 0.793 100.1 67.2 -64.3 -28.2 73.6 33.4 7.9 55 55 A V G >< S+ 0 0 45 -4,-2.1 3,-1.4 1,-0.2 4,-0.3 0.876 93.3 60.2 -62.9 -31.0 77.2 32.3 8.4 56 56 A G G X4 S+ 0 0 15 -3,-0.9 3,-1.2 -4,-0.3 -1,-0.2 0.822 94.8 63.5 -62.6 -30.9 77.8 35.5 10.5 57 57 A A G << S+ 0 0 3 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.680 98.5 56.5 -61.2 -22.5 75.1 34.3 12.9 58 58 A L G < S+ 0 0 20 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.499 88.7 87.9 -96.6 -5.0 77.2 31.3 13.8 59 59 A R S < S- 0 0 150 -3,-1.2 54,-0.0 -4,-0.3 0, 0.0 -0.844 88.8-109.4 -97.7 134.9 80.3 33.2 14.9 60 60 A P + 0 0 126 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.257 61.3 148.2 -62.9 123.2 80.6 34.3 18.5 61 61 A S - 0 0 79 -4,-0.1 4,-0.1 2,-0.1 -5,-0.0 -0.983 56.8-150.1-150.6 163.7 80.2 38.1 18.3 62 62 A D S S+ 0 0 165 -2,-0.3 -1,-0.1 2,-0.1 3,-0.0 0.019 70.3 112.2-117.3 19.6 79.0 41.2 20.1 63 63 A A S S- 0 0 56 1,-0.1 -2,-0.1 0, 0.0 2,-0.1 -0.660 81.5 -97.0 -85.3 140.4 78.2 42.8 16.7 64 64 A P - 0 0 127 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.407 37.7-138.2 -57.0 142.9 74.5 43.3 16.0 65 65 A L - 0 0 42 1,-0.1 -8,-0.0 -2,-0.1 -4,-0.0 -0.824 13.9-117.4-106.9 140.7 72.9 40.7 13.9 66 66 A T > - 0 0 52 -2,-0.3 4,-2.3 -13,-0.1 5,-0.2 -0.144 40.2 -96.7 -67.1 161.8 70.4 41.3 11.1 67 67 A P H > S+ 0 0 93 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.916 127.1 48.6 -49.5 -45.5 66.9 39.9 11.5 68 68 A R H > S+ 0 0 99 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.854 110.3 51.9 -65.7 -38.3 67.7 36.8 9.4 69 69 A Q H > S+ 0 0 28 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.889 109.7 49.3 -61.6 -43.2 70.9 36.3 11.4 70 70 A Q H X S+ 0 0 114 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.925 112.8 47.0 -60.3 -44.2 69.0 36.4 14.7 71 71 A E H X S+ 0 0 136 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.895 112.9 48.8 -68.3 -35.7 66.5 34.0 13.4 72 72 A A H X S+ 0 0 3 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.843 110.7 51.5 -76.9 -37.3 69.2 31.6 12.1 73 73 A L H X S+ 0 0 44 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.875 110.8 46.8 -58.2 -47.9 71.0 31.8 15.4 74 74 A A H X S+ 0 0 60 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.864 114.2 48.1 -64.1 -34.0 67.9 30.9 17.4 75 75 A L H X S+ 0 0 37 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.952 110.8 51.4 -75.0 -44.5 67.2 28.1 15.0 76 76 A S H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.898 111.5 47.9 -49.2 -51.7 70.9 27.0 15.3 77 77 A D H X S+ 0 0 79 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.833 110.9 50.6 -62.4 -39.5 70.5 27.0 19.1 78 78 A E H X S+ 0 0 97 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.955 110.5 49.0 -65.3 -43.1 67.3 25.1 19.0 79 79 A L H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.879 115.0 44.8 -62.0 -34.4 68.7 22.3 16.7 80 80 A I H X S+ 0 0 7 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.886 110.6 51.1 -83.6 -42.7 71.8 21.9 18.9 81 81 A A H X S+ 0 0 59 -4,-1.9 4,-3.0 -5,-0.2 -1,-0.2 0.971 112.9 48.5 -54.6 -56.0 70.0 21.9 22.2 82 82 A E H X S+ 0 0 32 -4,-2.5 4,-0.6 2,-0.2 -2,-0.2 0.929 112.6 48.1 -48.6 -44.8 67.6 19.1 20.7 83 83 A L H >< S+ 0 0 5 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.960 114.8 44.2 -66.3 -51.6 70.6 17.1 19.4 84 84 A K H 3< S+ 0 0 81 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.855 106.8 63.2 -60.2 -32.9 72.5 17.3 22.8 85 85 A A H 3< S+ 0 0 49 -4,-3.0 2,-0.3 -5,-0.3 -1,-0.2 0.648 96.0 70.9 -72.1 -7.1 69.2 16.5 24.6 86 86 A H << - 0 0 10 -3,-1.4 -83,-0.2 -4,-0.6 3,-0.1 -0.753 59.3-157.6-118.2 154.6 68.9 13.0 23.0 87 87 A D S S+ 0 0 66 -85,-2.0 46,-2.2 -2,-0.3 2,-0.5 0.837 82.5 42.0 -93.7 -40.5 70.8 9.8 23.5 88 88 A V E S-bc 3 133A 10 -86,-2.1 -84,-3.6 44,-0.2 2,-0.6 -0.947 71.0-161.4-115.8 121.3 70.2 7.8 20.3 89 89 A I E -bc 4 134A 1 44,-3.7 46,-2.5 -2,-0.5 2,-0.6 -0.922 2.2-166.0-114.0 113.2 70.3 9.8 17.1 90 90 A V E -bc 5 135A 0 -86,-4.4 -84,-3.6 -2,-0.6 2,-0.6 -0.915 6.4-170.8-103.3 123.2 68.7 8.3 14.0 91 91 A I E -bc 6 136A 2 44,-2.2 46,-2.4 -2,-0.6 2,-0.7 -0.900 13.9-154.2-119.0 109.0 69.6 9.9 10.7 92 92 A A E + c 0 137A 0 -86,-3.0 46,-0.2 -2,-0.6 -84,-0.1 -0.761 19.4 178.4 -81.3 115.5 67.9 9.1 7.4 93 93 A A - 0 0 0 44,-2.3 -1,-0.1 -2,-0.7 63,-0.1 -0.673 5.4-174.3-122.9 73.1 70.4 9.9 4.7 94 94 A P - 0 0 2 0, 0.0 7,-0.6 0, 0.0 2,-0.6 -0.372 29.2-120.3 -59.6 144.7 69.1 9.1 1.2 95 95 A M E +E 100 0B 21 44,-2.1 2,-0.4 5,-0.2 46,-0.3 -0.854 32.9 178.4 -94.8 125.9 71.7 9.6 -1.5 96 96 A Y E > S-E 99 0B 59 3,-2.4 3,-1.7 -2,-0.6 44,-0.0 -0.993 73.7 -13.6-128.2 122.2 71.0 12.2 -4.2 97 97 A N T 3 S- 0 0 154 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.894 127.0 -57.4 53.7 47.6 73.6 12.8 -6.9 98 98 A F T 3 S+ 0 0 125 1,-0.2 -1,-0.3 -3,-0.0 2,-0.2 0.563 125.4 83.8 62.6 9.7 76.3 11.0 -4.8 99 99 A N E < S-E 96 0B 75 -3,-1.7 -3,-2.4 1,-0.1 -1,-0.2 -0.709 87.5 -92.2-124.8 173.8 75.7 13.3 -1.8 100 100 A I E -E 95 0B 6 -2,-0.2 -5,-0.2 -5,-0.2 -1,-0.1 -0.379 61.7 -76.9 -71.5 170.5 73.3 13.5 1.0 101 101 A S > - 0 0 1 -7,-0.6 4,-2.1 1,-0.1 3,-0.4 -0.399 31.7-124.2 -69.4 149.5 70.2 15.6 0.6 102 102 A T H > S+ 0 0 79 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.843 111.9 65.2 -63.9 -30.6 70.5 19.4 0.8 103 103 A Q H > S+ 0 0 56 -95,-0.3 4,-0.8 1,-0.2 -56,-0.3 0.916 108.1 37.2 -60.9 -40.2 67.8 19.1 3.5 104 104 A L H > S+ 0 0 0 -3,-0.4 4,-2.4 -96,-0.3 3,-0.4 0.898 113.4 57.0 -74.0 -45.0 70.2 17.2 5.8 105 105 A K H X S+ 0 0 76 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.896 102.7 54.3 -53.8 -45.7 73.2 19.3 4.8 106 106 A N H X S+ 0 0 17 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.824 107.8 51.8 -61.2 -34.7 71.5 22.5 5.8 107 107 A Y H >X S+ 0 0 4 -4,-0.8 4,-1.5 -3,-0.4 3,-0.8 0.952 111.1 46.9 -65.9 -47.4 70.9 20.9 9.3 108 108 A F H 3X S+ 0 0 3 -4,-2.4 4,-2.5 1,-0.2 3,-0.2 0.904 107.8 56.1 -60.3 -46.4 74.6 20.0 9.5 109 109 A D H 3< S+ 0 0 45 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.709 113.2 41.6 -57.8 -23.9 75.7 23.6 8.4 110 110 A L H << S+ 0 0 1 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.640 116.0 49.8 -93.9 -15.0 73.7 25.1 11.3 111 111 A V H < S+ 0 0 1 -4,-1.5 2,-0.8 -3,-0.2 -2,-0.2 0.819 88.6 83.2 -93.9 -32.5 74.7 22.4 13.8 112 112 A A < + 0 0 30 -4,-2.5 2,-0.3 -5,-0.2 -1,-0.1 -0.670 61.0 156.0 -80.1 105.3 78.5 22.5 13.2 113 113 A R >>> - 0 0 31 -2,-0.8 4,-2.5 -37,-0.0 3,-2.3 -0.960 44.6-116.9-143.5 124.0 79.7 25.5 15.4 114 114 A A B 345S+f 118 0C 44 -2,-0.3 5,-0.2 1,-0.3 -2,-0.0 -0.280 102.0 12.8 -62.3 133.5 83.0 26.3 17.0 115 115 A G T 345S+ 0 0 58 3,-2.5 -1,-0.3 1,-0.1 4,-0.2 0.419 127.1 59.0 74.3 0.0 82.9 26.3 20.8 116 116 A V T <45S+ 0 0 39 -3,-2.3 -2,-0.2 2,-0.6 -1,-0.1 0.628 123.9 6.4-121.7 -55.0 79.3 24.7 20.8 117 117 A T T <5S+ 0 0 0 -4,-2.5 11,-2.3 1,-0.2 12,-0.8 0.516 139.0 14.6-108.9 -11.4 79.5 21.3 19.1 118 118 A F E < -fG 114 127C 17 -5,-1.2 -3,-2.5 9,-0.3 -2,-0.6 -0.939 64.0-164.8-145.4 172.3 83.3 21.2 18.6 119 119 A R E - G 0 126C 123 7,-1.5 7,-2.5 -2,-0.3 2,-0.1 -0.971 25.1-113.4-154.4 145.1 86.3 23.2 19.9 120 120 A Y + 0 0 166 -2,-0.3 2,-0.3 5,-0.2 3,-0.1 -0.465 41.0 174.3 -81.0 159.2 89.9 23.5 18.9 121 121 A T > - 0 0 49 -2,-0.1 3,-1.3 1,-0.1 -2,-0.0 -0.992 49.2 -99.7-165.9 147.8 92.6 22.1 21.2 122 122 A E T 3 S+ 0 0 187 -2,-0.3 2,-0.6 1,-0.3 -1,-0.1 0.907 124.4 49.3 -36.0 -49.3 96.4 21.4 21.7 123 123 A N T 3 S- 0 0 126 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 -0.297 126.4 -84.4 -98.4 46.0 95.6 17.8 20.6 124 124 A G S < S- 0 0 34 -3,-1.3 -1,-0.3 -2,-0.6 -3,-0.1 -0.147 74.5 -29.4 83.8 178.6 93.5 18.6 17.4 125 125 A P - 0 0 83 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.367 64.7-155.6 -53.7 140.4 89.8 19.5 16.9 126 126 A E E -G 119 0C 75 -7,-2.5 -7,-1.5 -2,-0.1 2,-0.2 -0.989 9.8-126.5-132.3 137.7 87.5 17.9 19.6 127 127 A G E -G 118 0C 15 -2,-0.4 -9,-0.3 -9,-0.2 37,-0.2 -0.553 14.8-171.0 -82.5 138.8 83.8 17.0 19.5 128 128 A L + 0 0 42 -11,-2.3 2,-1.0 35,-0.2 36,-0.2 0.336 67.7 87.7-106.1 -4.6 81.4 18.3 22.1 129 129 A V S S+ 0 0 1 34,-3.1 3,-0.3 -12,-0.8 2,-0.3 -0.842 71.4 167.3 -90.4 99.4 78.3 16.3 21.2 130 130 A T + 0 0 96 -2,-1.0 35,-0.1 1,-0.2 -2,-0.1 -0.751 37.4 34.3-116.4 161.0 79.3 13.3 23.4 131 131 A G S S+ 0 0 76 33,-0.3 2,-0.3 -2,-0.3 -1,-0.2 0.737 82.8 135.4 74.6 23.7 77.8 10.1 24.8 132 132 A K - 0 0 30 32,-0.3 35,-0.5 -3,-0.3 2,-0.5 -0.809 48.1-149.3-107.7 148.6 75.6 9.4 21.7 133 133 A K E -c 88 0A 41 -46,-2.2 -44,-3.7 -2,-0.3 2,-0.4 -0.968 22.3-163.7-104.5 125.1 74.7 6.3 19.7 134 134 A A E -cd 89 168A 0 33,-2.8 35,-2.1 -2,-0.5 2,-0.5 -0.925 9.2-166.9-105.6 136.2 73.9 7.3 16.0 135 135 A I E -cd 90 169A 0 -46,-2.5 -44,-2.2 -2,-0.4 2,-0.5 -0.988 9.2-157.9-117.3 122.0 72.1 5.0 13.5 136 136 A V E -cd 91 170A 0 33,-2.7 35,-3.0 -2,-0.5 2,-0.8 -0.854 2.7-162.6 -99.5 122.3 72.3 6.1 9.9 137 137 A I E -cd 92 171A 0 -46,-2.4 -44,-2.3 -2,-0.5 2,-0.6 -0.920 16.8-176.0-106.2 104.9 69.5 4.7 7.5 138 138 A T E - d 0 172A 0 33,-3.3 35,-2.3 -2,-0.8 2,-0.3 -0.912 7.9-169.6-116.4 118.6 70.8 5.3 4.0 139 139 A S E + d 0 173A 13 -2,-0.6 -44,-2.1 33,-0.2 2,-0.3 -0.739 8.1 178.0-104.3 141.2 68.8 4.5 0.9 140 140 A R - 0 0 4 33,-2.7 36,-1.9 -2,-0.3 35,-0.3 -0.996 33.6-138.4-143.0 148.8 70.2 4.4 -2.6 141 141 A G S S+ 0 0 31 -2,-0.3 36,-1.7 -46,-0.3 37,-0.5 0.908 91.7 34.0 -65.3 -47.6 68.9 3.7 -6.1 142 142 A G S S- 0 0 24 33,-0.2 33,-2.3 34,-0.1 2,-0.6 -0.106 97.2 -90.8 -90.7-166.7 72.0 1.8 -7.2 143 143 A I + 0 0 114 31,-0.2 -2,-0.1 1,-0.1 7,-0.0 -0.924 57.2 143.0-117.3 111.6 74.4 -0.5 -5.4 144 144 A H > + 0 0 31 -2,-0.6 3,-1.8 5,-0.1 6,-0.4 0.599 19.5 134.9-124.9 -16.9 77.3 1.4 -3.9 145 145 A K T 3 S+ 0 0 94 1,-0.3 4,-0.1 4,-0.1 -2,-0.0 -0.021 81.2 0.4 -57.4 142.5 78.1 -0.2 -0.6 146 146 A D T 3 S+ 0 0 153 1,-0.2 -1,-0.3 4,-0.1 -2,-0.0 0.626 113.4 107.6 54.7 17.5 81.8 -0.9 0.2 147 147 A G S X S- 0 0 29 -3,-1.8 3,-1.4 1,-0.0 -1,-0.2 -0.682 85.9-100.8-118.9 175.8 82.7 0.6 -3.2 148 148 A P T 3 S+ 0 0 119 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.515 113.2 63.3 -74.7 -9.0 84.3 3.8 -4.4 149 149 A T T 3 S+ 0 0 61 -5,-0.3 2,-1.2 1,-0.2 3,-0.3 0.426 79.4 93.9 -96.7 7.5 81.1 5.6 -5.4 150 150 A D < + 0 0 11 -3,-1.4 -1,-0.2 -6,-0.4 -4,-0.1 -0.601 35.9 141.5-100.7 81.0 80.0 5.5 -1.8 151 151 A L > + 0 0 99 -2,-1.2 4,-2.0 -53,-0.2 5,-0.2 0.728 61.1 72.7 -83.2 -22.5 81.2 8.9 -0.6 152 152 A V H > S+ 0 0 1 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.884 95.3 50.3 -58.2 -45.5 78.1 9.4 1.5 153 153 A T H > S+ 0 0 29 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.948 112.0 43.7 -65.8 -50.4 79.1 6.8 4.2 154 154 A P H > S+ 0 0 64 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.883 114.4 53.2 -63.5 -35.0 82.7 8.0 4.9 155 155 A Y H X S+ 0 0 72 -4,-2.0 4,-3.4 1,-0.2 5,-0.3 0.937 108.3 47.8 -66.7 -46.1 81.4 11.7 4.9 156 156 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.873 113.4 48.7 -58.2 -42.4 78.8 11.0 7.5 157 157 A S H X S+ 0 0 60 -4,-1.8 4,-1.9 2,-0.2 5,-0.2 0.905 114.7 46.0 -60.7 -45.2 81.3 9.1 9.6 158 158 A T H X S+ 0 0 101 -4,-2.8 4,-2.9 -5,-0.2 -2,-0.2 0.971 116.0 43.3 -63.4 -51.8 83.7 12.0 9.2 159 159 A F H X S+ 0 0 26 -4,-3.4 4,-1.3 1,-0.2 6,-0.2 0.930 117.8 44.4 -64.1 -44.9 81.2 14.8 9.9 160 160 A L H <>S+ 0 0 4 -4,-2.3 5,-3.2 -5,-0.3 4,-0.2 0.884 113.1 51.3 -65.9 -38.7 79.5 13.0 12.9 161 161 A G H ><5S+ 0 0 25 -4,-1.9 3,-2.0 3,-0.2 -34,-0.2 0.943 105.0 60.1 -64.4 -45.5 82.9 12.0 14.4 162 162 A F H 3<5S+ 0 0 72 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.825 106.8 42.4 -46.6 -47.3 84.0 15.6 14.1 163 163 A I T 3<5S- 0 0 2 -4,-1.3 -34,-3.1 -3,-0.2 -1,-0.3 0.390 132.7 -90.1 -87.4 6.2 81.2 16.9 16.4 164 164 A G T < 5S+ 0 0 16 -3,-2.0 2,-1.1 -4,-0.2 -33,-0.3 0.410 89.4 124.1 109.9 -3.4 81.8 14.0 18.7 165 165 A I < + 0 0 2 -5,-3.2 -1,-0.2 -6,-0.2 -2,-0.1 -0.764 19.3 149.3 -96.1 94.5 79.5 11.2 17.5 166 166 A T + 0 0 115 -2,-1.1 2,-1.0 -34,-0.2 -1,-0.2 0.572 49.1 81.9-107.4 -11.6 81.9 8.4 16.9 167 167 A D + 0 0 73 -35,-0.5 -33,-2.8 -3,-0.2 2,-0.4 -0.779 62.0 155.1 -97.8 95.7 79.6 5.5 17.6 168 168 A V E -d 134 0A 25 -2,-1.0 2,-0.4 -35,-0.2 -33,-0.2 -0.986 27.4-166.1-129.2 129.5 77.7 5.1 14.3 169 169 A K E -d 135 0A 75 -35,-2.1 -33,-2.7 -2,-0.4 2,-0.4 -0.950 16.5-144.8-115.5 128.5 76.0 2.1 12.8 170 170 A F E -d 136 0A 50 -2,-0.4 2,-0.4 -35,-0.2 -33,-0.2 -0.825 10.5-166.7 -96.1 132.6 75.0 2.2 9.2 171 171 A V E -d 137 0A 2 -35,-3.0 -33,-3.3 -2,-0.4 2,-0.4 -0.995 14.9-153.2-116.1 132.6 71.9 0.5 7.8 172 172 A F E +d 138 0A 39 -2,-0.4 2,-0.4 -35,-0.2 -33,-0.2 -0.861 23.1 178.6-116.6 133.5 71.7 0.2 4.0 173 173 A A E +d 139 0A 0 -35,-2.3 -33,-2.7 -2,-0.4 2,-0.2 -0.903 30.7 162.8-131.8 92.1 68.7 0.0 1.6 174 174 A E + 0 0 29 -2,-0.4 -31,-0.2 -35,-0.2 -33,-0.2 -0.715 42.1 44.5-113.9 171.4 70.3 -0.2 -1.8 175 175 A G > + 0 0 0 -33,-2.3 3,-1.7 -35,-0.3 -34,-0.2 0.658 62.0 141.7 70.5 17.6 69.1 -1.2 -5.3 176 176 A I G > + 0 0 33 -36,-1.9 3,-1.6 -34,-0.3 7,-0.3 0.841 63.4 61.5 -57.3 -39.7 65.9 0.7 -5.0 177 177 A A G 3 S+ 0 0 84 -36,-1.7 -1,-0.3 1,-0.3 -35,-0.1 0.547 86.2 76.4 -68.9 -9.1 65.9 1.8 -8.7 178 178 A Y G < S- 0 0 165 -3,-1.7 -1,-0.3 -37,-0.5 3,-0.2 0.569 110.0 -96.4 -79.8 -4.9 65.8 -1.8 -9.9 179 179 A G <> - 0 0 20 -3,-1.6 4,-2.7 -4,-0.2 -1,-0.3 -0.587 48.2 -49.7 117.4 175.4 62.1 -1.9 -9.1 180 180 A P H > S+ 0 0 116 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.729 126.8 54.5 -60.6 -28.1 59.6 -2.9 -6.5 181 181 A E H > S+ 0 0 183 2,-0.2 4,-2.4 -3,-0.2 5,-0.2 0.945 115.2 40.1 -72.8 -49.5 61.0 -6.4 -5.9 182 182 A M H > S+ 0 0 79 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.915 114.3 53.3 -64.4 -35.4 64.5 -5.0 -5.2 183 183 A A H X S+ 0 0 13 -4,-2.7 4,-2.3 -7,-0.3 -2,-0.2 0.917 110.2 49.3 -63.7 -43.2 62.9 -2.2 -3.2 184 184 A A H X S+ 0 0 59 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.906 110.8 48.6 -65.7 -39.8 61.0 -4.8 -1.1 185 185 A K H X S+ 0 0 117 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.914 110.2 52.1 -61.3 -43.7 64.1 -6.8 -0.5 186 186 A A H X S+ 0 0 7 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.926 110.3 48.7 -56.2 -44.5 66.1 -3.7 0.6 187 187 A Q H X S+ 0 0 17 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.925 112.2 47.9 -63.9 -47.9 63.3 -2.8 3.0 188 188 A S H X S+ 0 0 75 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.940 115.0 46.2 -59.8 -47.0 63.3 -6.4 4.4 189 189 A D H X S+ 0 0 81 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.941 115.2 46.0 -61.9 -40.7 67.2 -6.4 4.7 190 190 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.888 108.9 55.1 -71.5 -44.0 67.3 -3.0 6.3 191 191 A K H X S+ 0 0 72 -4,-3.0 4,-2.4 -5,-0.2 -1,-0.2 0.890 106.3 51.8 -56.7 -39.2 64.5 -3.9 8.7 192 192 A A H X S+ 0 0 58 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.883 109.0 51.2 -62.4 -41.1 66.5 -7.0 10.0 193 193 A A H X S+ 0 0 35 -4,-1.6 4,-1.3 1,-0.2 -2,-0.2 0.928 111.5 47.5 -60.1 -41.6 69.5 -4.7 10.6 194 194 A I H >X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 3,-0.6 0.927 106.7 57.9 -67.2 -43.1 67.3 -2.3 12.5 195 195 A D H 3X S+ 0 0 57 -4,-2.4 4,-2.3 1,-0.3 -1,-0.2 0.918 107.1 47.2 -55.4 -43.3 65.8 -5.2 14.5 196 196 A S H 3< S+ 0 0 72 -4,-2.1 4,-0.5 1,-0.2 -1,-0.3 0.746 111.0 50.9 -73.5 -19.8 69.2 -6.3 15.8 197 197 A I H << S+ 0 0 18 -4,-1.3 -2,-0.2 -3,-0.6 -1,-0.2 0.877 114.7 44.4 -73.9 -40.9 70.2 -2.7 16.8 198 198 A V H < S+ 0 0 3 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.929 114.4 46.8 -71.5 -44.6 67.0 -2.2 18.7 199 199 A S < 0 0 87 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.582 360.0 360.0 -78.6 -10.7 67.1 -5.6 20.4 200 200 A A 0 0 115 -4,-0.5 -1,-0.2 -5,-0.2 -4,-0.1 -0.582 360.0 360.0 -78.3 360.0 70.9 -5.1 21.3