==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-NOV-12 3ZCY . COMPND 2 MOLECULE: ASCORBATE PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GLYCINE MAX; . AUTHOR A.GUMIERO,E.L.RAVEN,P.C.E.MOODY . 249 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11559.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 1 0.4 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 . 10 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 39.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.2 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 1 3 0 1 0 2 0 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 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 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 2 A G 0 0 109 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 18.8 80.4 4.8 15.5 2 3 A K + 0 0 68 247,-0.1 2,-0.5 2,-0.0 246,-0.2 -0.769 360.0 178.7 -98.9 127.5 83.5 3.7 17.4 3 4 A S - 0 0 86 244,-2.6 244,-0.0 -2,-0.5 -1,-0.0 -0.882 22.4-151.4-120.9 99.1 84.7 0.1 17.7 4 5 A Y - 0 0 71 -2,-0.5 113,-0.1 1,-0.1 -2,-0.0 -0.458 15.6-118.4 -78.4 137.8 87.9 0.1 19.7 5 6 A P - 0 0 58 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.227 26.3-107.4 -70.3 158.5 90.5 -2.6 19.1 6 7 A T - 0 0 141 111,-0.1 2,-0.3 0, 0.0 111,-0.0 -0.684 35.4-170.5 -80.9 135.7 91.6 -5.2 21.7 7 8 A V - 0 0 27 -2,-0.3 5,-0.1 1,-0.1 0, 0.0 -0.932 29.5 -95.3-123.3 157.4 95.1 -4.7 23.1 8 9 A S > - 0 0 65 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.149 31.3-111.5 -66.6 162.7 97.0 -7.1 25.3 9 10 A A H > S+ 0 0 78 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.868 121.4 56.1 -61.3 -36.0 97.0 -6.9 29.1 10 11 A D H > S+ 0 0 118 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.894 105.8 51.5 -62.2 -40.3 100.7 -5.9 28.9 11 12 A Y H > S+ 0 0 27 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.941 110.1 47.7 -60.2 -48.4 99.7 -3.0 26.6 12 13 A Q H X S+ 0 0 110 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.851 109.6 54.2 -62.7 -36.4 97.0 -1.8 29.0 13 14 A K H X S+ 0 0 144 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.909 108.5 48.7 -62.1 -43.9 99.5 -2.0 31.9 14 15 A A H X S+ 0 0 12 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.882 108.1 55.2 -63.8 -40.5 102.0 0.2 29.9 15 16 A V H X S+ 0 0 8 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.950 110.0 45.7 -56.6 -48.5 99.2 2.7 29.2 16 17 A E H X S+ 0 0 99 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.909 115.4 45.7 -63.8 -42.0 98.5 3.0 32.9 17 18 A K H X S+ 0 0 111 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.882 113.0 50.0 -69.4 -39.4 102.2 3.4 33.9 18 19 A A H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.890 106.0 57.3 -65.0 -39.7 102.8 5.8 31.1 19 20 A K H X S+ 0 0 48 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.931 109.8 43.9 -56.8 -48.5 99.9 7.9 32.2 20 21 A K H X S+ 0 0 123 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.929 114.7 48.5 -62.1 -47.0 101.3 8.3 35.7 21 22 A K H X S+ 0 0 99 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.877 110.1 52.9 -63.6 -37.3 104.9 9.0 34.4 22 23 A L H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 5,-0.4 0.889 105.2 55.6 -64.6 -39.8 103.4 11.6 31.9 23 24 A R H X S+ 0 0 84 -4,-2.0 4,-2.4 -5,-0.2 5,-0.2 0.969 111.8 41.6 -54.8 -56.2 101.6 13.4 34.8 24 25 A G H X S+ 0 0 45 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.920 117.8 47.0 -59.8 -46.9 104.8 13.9 36.8 25 26 A F H X S+ 0 0 59 -4,-2.3 4,-2.8 2,-0.2 6,-0.2 0.937 114.2 44.7 -60.7 -51.4 106.9 14.8 33.8 26 27 A I H X>S+ 0 0 1 -4,-2.7 5,-1.3 2,-0.2 4,-1.1 0.913 115.1 48.8 -65.2 -42.2 104.5 17.3 32.2 27 28 A A H <5S+ 0 0 61 -4,-2.4 3,-0.5 -5,-0.4 -1,-0.2 0.944 115.1 43.9 -61.3 -49.0 103.8 18.9 35.6 28 29 A E H <5S+ 0 0 148 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.901 116.3 46.2 -62.7 -42.5 107.5 19.3 36.5 29 30 A K H <5S- 0 0 101 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.605 99.6-134.6 -80.4 -9.8 108.5 20.5 33.0 30 31 A R T <5 + 0 0 179 -4,-1.1 -3,-0.2 -3,-0.5 4,-0.2 0.829 67.2 125.8 60.9 35.0 105.6 23.0 32.8 31 32 A C >< + 0 0 10 -5,-1.3 4,-2.2 -6,-0.2 5,-0.2 0.134 16.8 119.3-115.2 20.2 104.9 21.9 29.3 32 33 A A H > S+ 0 0 2 -6,-0.4 4,-2.9 1,-0.2 5,-0.2 0.902 78.0 50.0 -51.1 -45.4 101.2 20.9 29.4 33 34 A P H > S+ 0 0 27 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.930 110.0 49.3 -65.9 -40.9 100.3 23.5 26.7 34 35 A L H > S+ 0 0 30 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.895 114.2 47.4 -61.2 -38.1 103.0 22.4 24.3 35 36 A M H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.885 111.0 49.5 -70.4 -40.4 101.9 18.7 24.8 36 37 A L H X S+ 0 0 9 -4,-2.9 4,-2.7 -5,-0.2 5,-0.3 0.946 112.5 49.6 -61.6 -46.7 98.2 19.5 24.3 37 38 A R H X S+ 0 0 98 -4,-2.9 4,-2.7 -5,-0.2 5,-0.3 0.907 109.1 51.6 -56.9 -45.0 99.1 21.4 21.1 38 39 A L H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.936 113.8 43.8 -55.7 -49.5 101.2 18.4 19.9 39 40 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.920 116.5 45.5 -61.9 -47.1 98.3 16.0 20.4 40 41 A A H X S+ 0 0 33 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.911 115.1 46.2 -68.6 -43.9 95.6 18.3 19.0 41 42 A Y H < S+ 0 0 32 -4,-2.7 4,-0.4 -5,-0.3 -1,-0.2 0.901 112.6 50.5 -65.5 -42.3 97.7 19.2 15.9 42 43 A S H >< S+ 0 0 6 -4,-2.3 3,-0.9 -5,-0.3 12,-0.5 0.920 116.2 41.4 -61.1 -46.1 98.7 15.6 15.2 43 44 A A H >< S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.857 106.2 66.7 -68.0 -33.1 95.1 14.5 15.5 44 45 A G T 3< S+ 0 0 10 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.485 77.9 79.9 -73.6 -3.5 93.9 17.5 13.5 45 46 A T T < + 0 0 23 -3,-0.9 -1,-0.3 -4,-0.4 2,-0.2 0.394 68.5 121.7 -81.7 4.5 95.6 16.5 10.3 46 47 A F < - 0 0 7 -3,-1.3 2,-0.5 7,-0.3 7,-0.2 -0.450 44.7-166.7 -72.2 138.4 92.7 14.1 9.6 47 48 A D B >> -A 52 0A 52 5,-2.1 4,-1.9 -2,-0.2 5,-1.0 -0.963 8.5-159.1-126.7 114.3 90.7 14.5 6.4 48 49 A K T 45S+ 0 0 103 99,-3.5 -1,-0.1 -2,-0.5 99,-0.1 0.792 87.4 56.3 -65.8 -31.1 87.5 12.5 6.4 49 50 A G T 45S+ 0 0 66 97,-0.2 -1,-0.2 98,-0.2 98,-0.1 0.967 121.7 25.0 -65.3 -55.1 87.1 12.5 2.6 50 51 A T T 45S- 0 0 87 2,-0.1 -2,-0.2 0, 0.0 -1,-0.2 0.613 99.1-135.0 -84.2 -14.7 90.4 10.9 1.8 51 52 A K T <5 + 0 0 153 -4,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.841 59.2 134.3 59.6 37.9 90.6 9.2 5.2 52 53 A T B < +A 47 0A 70 -5,-1.0 -5,-2.1 -7,-0.1 -1,-0.2 -0.762 43.6 16.4-116.3 161.9 94.3 10.2 5.5 53 54 A G + 0 0 23 -2,-0.3 -7,-0.3 -7,-0.2 -10,-0.1 -0.279 63.7 129.9 72.3-162.6 96.2 11.8 8.4 54 55 A G S S- 0 0 0 -12,-0.5 2,-2.1 -13,-0.2 4,-0.4 -0.537 75.2 -29.4 104.3-178.1 95.0 11.8 12.0 55 56 A P S S+ 0 0 1 0, 0.0 -12,-0.2 0, 0.0 42,-0.1 -0.448 87.3 124.5 -76.5 71.3 96.6 10.7 15.3 56 57 A F S S- 0 0 6 -2,-2.1 65,-2.5 -14,-0.3 37,-0.2 -0.065 86.1 -91.6-129.9 34.5 99.0 8.1 13.9 57 58 A G S S+ 0 0 9 63,-0.2 63,-0.1 35,-0.2 35,-0.1 0.655 79.3 137.4 73.8 19.4 102.5 8.9 15.0 58 59 A T + 0 0 17 -4,-0.4 2,-0.7 1,-0.2 -1,-0.1 0.713 61.2 57.7 -76.2 -24.5 103.3 11.0 11.9 59 60 A I S S+ 0 0 4 65,-0.1 2,-0.3 -21,-0.1 -1,-0.2 -0.909 78.2 138.9-105.0 105.4 105.0 13.8 13.7 60 61 A K - 0 0 71 -2,-0.7 18,-0.1 2,-0.2 4,-0.1 -0.867 45.2 -29.7-141.6 177.4 107.9 12.4 15.7 61 62 A H S S+ 0 0 83 1,-0.3 3,-0.0 -2,-0.3 13,-0.0 -0.546 123.4 28.6 -79.7 131.0 111.6 13.0 16.7 62 63 A P S S- 0 0 94 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.367 91.0-173.2 -90.7 128.5 113.3 14.4 14.9 63 64 A A - 0 0 20 11,-0.2 2,-0.3 -4,-0.1 3,-0.1 -0.395 16.3-162.4 -78.5 154.2 110.5 16.5 13.3 64 65 A E + 0 0 167 -2,-0.1 7,-0.1 1,-0.1 3,-0.1 -0.757 38.5 135.0-132.7 89.3 110.9 18.9 10.4 65 66 A L + 0 0 17 -2,-0.3 2,-4.5 5,-0.1 6,-0.1 0.761 20.4 166.0-102.3 -37.1 107.9 21.2 10.3 66 67 A A + 0 0 87 4,-0.2 5,-0.1 -3,-0.1 2,-0.1 0.102 35.9 114.0 57.4 -32.9 110.0 24.4 9.7 67 68 A H S > S- 0 0 122 -2,-4.5 4,-0.9 1,-0.1 3,-0.1 -0.386 80.4 -88.6 -73.8 147.6 106.8 26.4 8.8 68 69 A S T 4 S+ 0 0 76 1,-0.2 2,-1.5 2,-0.2 104,-0.3 -0.175 113.0 19.7 -47.8 149.0 105.5 29.3 10.8 69 70 A A T 4 S+ 0 0 30 102,-0.8 103,-0.2 99,-0.2 -1,-0.2 -0.573 115.6 67.6 79.3 -65.9 103.1 28.1 13.5 70 71 A N T >4 S+ 0 0 7 -2,-1.5 3,-1.6 -5,-0.1 4,-0.3 0.586 73.1 106.2 -64.6 -14.6 104.2 24.5 13.6 71 72 A N T 3< + 0 0 49 -4,-0.9 101,-0.1 1,-0.2 100,-0.1 -0.377 69.3 47.0 -61.3 149.7 107.6 25.3 15.0 72 73 A G T >> S+ 0 0 2 99,-0.1 4,-1.9 -2,-0.0 3,-0.6 -0.210 87.2 88.5 104.6 -39.1 107.8 24.3 18.6 73 74 A L H <> S+ 0 0 0 -3,-1.6 4,-2.1 1,-0.3 5,-0.2 0.804 82.4 60.3 -64.5 -26.6 106.3 20.9 17.9 74 75 A D H 3> S+ 0 0 64 -4,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.870 104.5 49.5 -62.0 -39.2 109.9 19.6 17.3 75 76 A I H <> S+ 0 0 54 -3,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.927 108.0 54.5 -63.3 -45.7 110.7 20.6 20.8 76 77 A A H X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.929 110.1 44.5 -55.5 -50.6 107.6 18.7 22.1 77 78 A V H X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.885 112.3 51.7 -65.7 -38.5 108.5 15.5 20.5 78 79 A R H < S+ 0 0 127 -4,-1.7 3,-0.4 1,-0.2 -1,-0.2 0.907 107.6 53.8 -63.8 -41.2 112.1 15.7 21.6 79 80 A L H < S+ 0 0 18 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.849 112.4 44.2 -58.5 -37.2 111.0 16.3 25.2 80 81 A L H X S+ 0 0 0 -4,-1.5 4,-2.7 -5,-0.2 5,-0.2 0.665 90.5 87.3 -85.1 -17.6 108.9 13.2 25.2 81 82 A E H X S+ 0 0 43 -4,-1.2 4,-2.1 -3,-0.4 -1,-0.2 0.877 85.7 49.6 -58.5 -45.7 111.4 10.8 23.5 82 83 A P H 4 S+ 0 0 91 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.926 115.5 44.5 -58.9 -42.8 113.3 9.6 26.6 83 84 A L H >4 S+ 0 0 15 -4,-0.4 3,-1.8 1,-0.2 4,-0.3 0.928 110.4 54.3 -64.9 -44.2 110.0 8.8 28.4 84 85 A K H >< S+ 0 0 9 -4,-2.7 3,-2.3 1,-0.3 6,-0.2 0.888 99.9 62.4 -56.5 -38.4 108.5 7.1 25.3 85 86 A A T 3< S+ 0 0 69 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.697 94.1 62.3 -61.7 -20.6 111.7 4.9 25.2 86 87 A E T < S+ 0 0 119 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.577 107.2 45.8 -79.3 -9.5 110.6 3.5 28.6 87 88 A F X + 0 0 9 -3,-2.3 3,-1.5 -4,-0.3 -1,-0.2 -0.512 62.4 159.5-131.0 65.2 107.4 2.2 26.9 88 89 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.781 72.4 65.0 -59.2 -26.7 108.5 0.5 23.7 89 90 A I T 3 S+ 0 0 82 -3,-0.1 2,-0.2 -79,-0.1 -78,-0.1 0.772 87.5 84.1 -67.8 -23.3 105.3 -1.5 23.6 90 91 A L S < S- 0 0 5 -3,-1.5 2,-0.1 -6,-0.2 -3,-0.1 -0.564 83.1-120.8 -82.2 143.1 103.2 1.7 23.1 91 92 A S > - 0 0 15 -2,-0.2 4,-2.4 27,-0.2 5,-0.1 -0.474 18.6-125.1 -71.8 150.7 102.6 3.2 19.7 92 93 A Y H > S+ 0 0 42 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.898 112.6 60.5 -58.9 -40.2 103.8 6.8 19.3 93 94 A A H > S+ 0 0 2 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.922 109.6 39.0 -54.4 -51.1 100.3 7.5 18.1 94 95 A D H > S+ 0 0 2 24,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.902 113.7 56.8 -63.3 -43.3 98.8 6.4 21.4 95 96 A F H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.903 108.1 45.6 -59.7 -44.8 101.6 7.9 23.5 96 97 A Y H X S+ 0 0 5 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.871 113.8 48.4 -69.5 -37.7 101.1 11.4 22.1 97 98 A Q H X S+ 0 0 3 -4,-1.5 4,-2.2 -5,-0.3 -2,-0.2 0.888 110.2 52.4 -68.9 -36.7 97.3 11.3 22.5 98 99 A L H X S+ 0 0 3 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.905 107.3 53.0 -62.4 -39.4 97.8 10.1 26.0 99 100 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.870 108.0 50.5 -63.0 -38.5 100.1 13.0 26.7 100 101 A G H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.909 110.9 48.3 -65.8 -42.8 97.4 15.4 25.4 101 102 A V H X S+ 0 0 3 -4,-2.2 4,-2.1 2,-0.2 11,-0.3 0.929 113.6 47.3 -60.8 -45.3 94.8 13.9 27.7 102 103 A V H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 5,-0.3 0.898 106.0 59.0 -64.6 -40.5 97.3 14.1 30.6 103 104 A A H X S+ 0 0 0 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.912 108.8 44.7 -54.7 -45.0 98.1 17.8 29.8 104 105 A V H <>S+ 0 0 0 -4,-1.8 5,-2.8 1,-0.2 3,-0.3 0.928 115.3 48.7 -65.2 -44.3 94.5 18.7 30.2 105 106 A E H ><5S+ 0 0 37 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.922 108.5 49.8 -64.9 -45.6 94.1 16.7 33.4 106 107 A V H 3<5S+ 0 0 50 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.707 107.1 55.5 -73.5 -18.0 97.2 18.0 35.2 107 108 A T T 3<5S- 0 0 14 -4,-1.0 78,-2.5 -3,-0.3 -1,-0.3 0.378 129.0 -96.6 -89.7 3.7 96.3 21.6 34.6 108 109 A G T < 5S+ 0 0 50 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.2 0.560 79.5 134.7 98.3 10.4 92.9 20.9 36.2 109 110 A G < - 0 0 12 -5,-2.8 -1,-0.2 -6,-0.2 77,-0.0 -0.087 61.7 -64.6 -81.9-174.3 90.8 20.2 33.2 110 111 A P - 0 0 18 0, 0.0 2,-1.0 0, 0.0 -1,-0.2 -0.232 51.6-103.7 -68.7 161.0 88.2 17.5 32.6 111 112 A E - 0 0 157 -3,-0.1 -9,-0.1 -7,-0.1 -10,-0.1 -0.766 36.9-154.3 -88.3 100.1 89.1 13.8 32.5 112 113 A V - 0 0 7 -2,-1.0 -7,-0.1 -11,-0.3 124,-0.1 -0.653 22.2-115.5 -79.3 122.6 89.0 13.0 28.7 113 114 A P - 0 0 58 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.295 32.4-155.3 -59.8 145.1 88.3 9.3 28.2 114 115 A F - 0 0 40 -3,-0.0 125,-0.0 -13,-0.0 -16,-0.0 -0.983 14.1-174.1-129.6 132.7 91.2 7.4 26.5 115 116 A H - 0 0 59 -2,-0.4 3,-0.2 -21,-0.0 2,-0.1 -0.991 18.4-141.6-124.8 127.7 91.2 4.2 24.4 116 117 A P + 0 0 20 0, 0.0 -104,-0.0 0, 0.0 -26,-0.0 -0.319 60.8 86.9 -81.8 168.1 94.4 2.6 23.2 117 118 A G + 0 0 13 1,-0.3 2,-0.2 -113,-0.1 130,-0.1 0.442 41.3 144.8 126.5 3.0 95.1 0.9 19.9 118 119 A R - 0 0 2 -3,-0.2 -24,-0.4 -27,-0.1 2,-0.3 -0.484 40.9-138.4 -67.7 137.8 96.2 3.5 17.4 119 120 A E - 0 0 151 -2,-0.2 2,-0.6 -26,-0.1 -1,-0.0 -0.773 15.9-113.3-101.3 145.3 98.8 2.2 15.0 120 121 A D - 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0 0 66 -2,-0.2 4,-1.8 1,-0.1 -1,-0.1 -0.399 26.2-105.6 -95.0 172.6 80.5 19.9 14.9 152 153 A D H > S+ 0 0 52 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.886 122.7 53.3 -63.4 -40.5 80.0 23.6 15.5 153 154 A Q H > S+ 0 0 59 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.915 106.5 52.1 -58.7 -44.4 79.9 22.9 19.2 154 155 A D H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.873 105.2 56.9 -60.4 -38.8 83.2 21.0 19.1 155 156 A I H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.934 110.5 41.9 -59.5 -47.8 84.8 24.0 17.3 156 157 A V H X S+ 0 0 0 -4,-1.7 4,-0.8 2,-0.2 -2,-0.2 0.947 117.0 47.4 -66.0 -48.3 83.9 26.4 20.1 157 158 A A H >< S+ 0 0 0 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.934 112.5 48.6 -58.8 -47.5 84.8 24.0 22.9 158 159 A L H >< S+ 0 0 20 -4,-3.0 3,-2.3 1,-0.3 -1,-0.2 0.820 100.2 64.9 -65.6 -31.5 88.2 23.0 21.3 159 160 A S H >< S+ 0 0 14 -4,-1.7 3,-1.7 1,-0.3 -1,-0.3 0.786 88.5 72.1 -59.0 -25.6 89.1 26.6 20.7 160 161 A G G X< + 0 0 0 -3,-1.2 3,-2.0 -4,-0.8 -1,-0.3 0.541 69.9 87.8 -68.4 -7.3 89.1 26.8 24.5 161 162 A G G X S+ 0 0 11 -3,-2.3 3,-1.6 1,-0.3 -1,-0.3 0.785 75.1 71.7 -57.2 -26.6 92.3 24.7 24.4 162 163 A H G < + 0 0 62 -3,-1.7 16,-0.5 1,-0.3 -1,-0.3 0.484 68.6 91.6 -68.3 -2.6 93.9 28.1 24.2 163 164 A T G < S+ 0 0 0 -3,-2.0 2,-0.4 15,-0.1 21,-0.3 0.745 89.8 49.0 -66.8 -19.9 93.0 28.6 27.8 164 165 A I S < S+ 0 0 6 -3,-1.6 19,-0.2 -4,-0.2 2,-0.1 -0.930 104.4 11.0-115.0 148.3 96.4 27.2 28.6 165 166 A G - 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