==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-SEP-07 2VCS . COMPND 2 MOLECULE: ASCORBATE PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GLYCINE MAX; . AUTHOR C.L.METCALFE,I.K.MACDONALD,K.A.BROWN,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) . 10903.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 65.1 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 . 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 . 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 . 6 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 40.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 3.6 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 0 4 0 1 0 1 1 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 0 108 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 8.3 35.9 39.1 15.6 2 3 A K + 0 0 66 2,-0.0 2,-0.5 1,-0.0 246,-0.2 -0.722 360.0 178.9 -98.2 131.6 37.3 42.2 17.4 3 4 A S - 0 0 91 244,-2.0 244,-0.1 -2,-0.4 245,-0.0 -0.875 25.7-151.0-122.6 94.4 40.9 43.3 17.5 4 5 A Y - 0 0 72 -2,-0.5 113,-0.1 1,-0.1 2,-0.0 -0.398 16.0-115.1 -74.1 141.6 40.8 46.5 19.6 5 6 A P - 0 0 56 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.303 27.2-107.2 -72.4 155.5 43.5 49.2 18.9 6 7 A T - 0 0 143 111,-0.1 2,-0.3 -2,-0.0 111,-0.0 -0.660 36.6-171.9 -75.6 134.7 46.1 50.2 21.4 7 8 A V - 0 0 37 -2,-0.3 5,-0.1 1,-0.0 0, 0.0 -0.941 29.2 -97.2-122.5 155.3 45.5 53.7 22.9 8 9 A S > - 0 0 65 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.157 31.2-110.4 -66.6 162.4 48.0 55.6 25.1 9 10 A A H > S+ 0 0 80 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.887 121.7 55.5 -56.9 -40.1 47.7 55.6 28.9 10 11 A D H > S+ 0 0 107 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.895 105.9 51.7 -62.4 -39.3 46.7 59.3 28.7 11 12 A Y H > S+ 0 0 25 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.951 111.2 46.2 -61.1 -48.5 43.9 58.3 26.4 12 13 A Q H X S+ 0 0 65 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.885 109.6 54.4 -66.1 -34.8 42.6 55.6 28.8 13 14 A K H X S+ 0 0 141 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.921 109.0 49.5 -58.1 -45.8 42.9 58.0 31.7 14 15 A A H X S+ 0 0 13 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.872 108.0 53.1 -62.2 -40.8 40.7 60.4 29.8 15 16 A V H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.941 111.6 46.6 -57.5 -46.6 38.1 57.7 29.0 16 17 A E H X S+ 0 0 79 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.930 115.7 44.0 -65.1 -45.3 37.9 56.9 32.7 17 18 A K H X S+ 0 0 122 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.890 113.8 50.6 -65.3 -43.6 37.6 60.6 33.7 18 19 A A H X S+ 0 0 0 -4,-3.0 4,-2.8 -5,-0.2 -2,-0.2 0.883 105.8 57.3 -61.8 -37.9 35.1 61.3 30.9 19 20 A K H X S+ 0 0 47 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.938 109.8 44.0 -59.1 -48.8 33.0 58.3 32.0 20 21 A K H X S+ 0 0 119 -4,-1.7 4,-1.9 2,-0.2 5,-0.2 0.949 114.5 48.5 -61.1 -50.6 32.7 59.8 35.6 21 22 A K H X S+ 0 0 88 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.869 110.1 52.8 -59.5 -40.0 31.9 63.3 34.3 22 23 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.4 0.876 105.5 55.2 -63.0 -37.9 29.3 61.9 31.8 23 24 A R H X S+ 0 0 81 -4,-1.9 4,-2.5 -5,-0.2 5,-0.2 0.971 112.1 41.6 -59.6 -53.8 27.6 60.0 34.7 24 25 A G H X S+ 0 0 47 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.916 118.8 46.3 -59.2 -45.3 27.1 63.2 36.8 25 26 A F H X S+ 0 0 44 -4,-2.3 4,-2.6 -5,-0.2 6,-0.2 0.921 114.1 44.7 -65.6 -49.1 26.2 65.3 33.7 26 27 A I H X>S+ 0 0 1 -4,-2.8 5,-1.3 2,-0.2 4,-1.1 0.908 115.7 48.6 -64.7 -42.8 23.6 62.9 32.2 27 28 A A H ><5S+ 0 0 60 -4,-2.5 3,-0.6 -5,-0.4 -2,-0.2 0.953 115.2 44.1 -62.4 -48.9 22.0 62.2 35.6 28 29 A E H 3<5S+ 0 0 137 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.891 116.6 45.6 -63.1 -42.0 21.7 65.9 36.4 29 30 A K H 3<5S- 0 0 89 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.584 99.0-136.3 -79.9 -11.2 20.5 66.9 33.0 30 31 A R T <<5 + 0 0 179 -4,-1.1 -3,-0.2 -3,-0.6 4,-0.2 0.817 66.8 125.8 58.4 34.3 17.9 64.0 32.8 31 32 A C >< + 0 0 10 -5,-1.3 4,-2.2 -6,-0.2 5,-0.2 0.181 17.4 119.1-112.0 18.5 19.1 63.4 29.3 32 33 A A H > S+ 0 0 3 -6,-0.5 4,-2.6 1,-0.2 5,-0.2 0.902 77.5 50.4 -49.6 -48.5 20.0 59.7 29.4 33 34 A P H > S+ 0 0 25 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.929 110.6 48.5 -59.3 -44.0 17.4 58.8 26.7 34 35 A L H > S+ 0 0 23 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.874 112.1 50.1 -62.3 -37.0 18.5 61.5 24.3 35 36 A M H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.877 110.0 49.6 -69.8 -38.8 22.2 60.4 24.8 36 37 A L H X S+ 0 0 13 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.938 111.5 49.7 -63.5 -45.3 21.3 56.8 24.1 37 38 A R H X S+ 0 0 65 -4,-2.9 4,-3.3 1,-0.2 5,-0.2 0.909 109.3 52.2 -55.0 -46.4 19.4 57.9 21.0 38 39 A L H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.908 111.6 45.4 -58.8 -46.3 22.5 59.9 20.0 39 40 A A H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.907 115.5 47.4 -62.2 -44.8 24.8 56.8 20.4 40 41 A W H X S+ 0 0 59 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.935 111.8 48.8 -63.1 -47.2 22.3 54.6 18.5 41 42 A A H < S+ 0 0 1 -4,-3.3 4,-0.3 1,-0.2 -1,-0.2 0.820 111.5 52.0 -64.4 -30.8 21.8 57.1 15.6 42 43 A S H < S+ 0 0 2 -4,-1.7 3,-0.5 -5,-0.2 12,-0.4 0.925 119.7 33.3 -65.7 -47.7 25.6 57.4 15.4 43 44 A A H >< S+ 0 0 0 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.794 102.9 73.2 -82.2 -30.2 26.1 53.6 15.1 44 45 A G T 3< S+ 0 0 2 -4,-3.0 -1,-0.2 1,-0.3 104,-0.1 0.475 81.4 72.4 -74.3 -4.0 23.0 52.5 13.3 45 46 A T T 3 + 0 0 4 -3,-0.5 -1,-0.3 -4,-0.3 2,-0.2 0.372 68.4 128.5 -88.1 0.7 24.1 53.9 9.9 46 47 A F < - 0 0 2 -3,-1.6 2,-0.6 7,-0.2 7,-0.2 -0.393 41.0-165.6 -63.5 129.4 26.7 51.1 9.5 47 48 A D B >> -A 52 0A 38 5,-2.5 4,-2.1 -2,-0.2 5,-1.2 -0.961 4.6-162.8-115.6 112.6 26.6 49.2 6.2 48 49 A K T 45S+ 0 0 91 99,-3.4 -1,-0.1 -2,-0.6 99,-0.1 0.859 85.3 57.4 -63.6 -38.3 28.6 46.0 6.4 49 50 A G T 45S+ 0 0 69 97,-0.3 -1,-0.2 1,-0.2 98,-0.1 0.836 122.7 24.3 -63.7 -35.9 28.9 45.5 2.6 50 51 A T T 45S- 0 0 85 -3,-0.4 -1,-0.2 2,-0.1 -2,-0.2 0.578 97.6-130.8-104.2 -15.4 30.5 48.9 2.0 51 52 A K T <5 + 0 0 146 -4,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.856 61.5 138.0 61.9 38.5 32.0 49.4 5.5 52 53 A T B < +A 47 0A 53 -5,-1.2 -5,-2.5 -7,-0.1 -1,-0.2 -0.785 45.2 10.3-114.6 159.3 30.5 52.9 5.5 53 54 A G S S+ 0 0 15 70,-0.3 -7,-0.2 -2,-0.3 -10,-0.1 -0.273 70.0 122.2 68.9-161.3 28.8 54.9 8.3 54 55 A G S S- 0 0 1 -12,-0.4 2,-2.3 -13,-0.2 4,-0.4 -0.387 76.8 -27.4 93.9-179.3 28.8 53.6 11.8 55 56 A P S S+ 0 0 0 0, 0.0 -12,-0.2 0, 0.0 42,-0.1 -0.372 85.1 124.5 -76.4 67.7 30.0 55.1 15.2 56 57 A F S S- 0 0 8 -2,-2.3 65,-2.4 -14,-0.3 37,-0.2 -0.090 85.0 -94.5-126.5 35.4 32.7 57.4 13.9 57 58 A G S > S+ 0 0 2 35,-0.2 3,-1.2 63,-0.2 4,-0.2 0.426 87.9 122.7 79.1 -0.1 31.8 60.9 15.2 58 59 A T G > + 0 0 3 -4,-0.4 3,-2.1 1,-0.2 6,-0.4 0.703 52.5 80.4 -73.8 -18.4 29.9 62.0 12.1 59 60 A I G 3 S+ 0 0 0 1,-0.3 -1,-0.2 5,-0.1 6,-0.1 0.748 82.4 65.8 -61.5 -23.5 26.7 62.7 13.9 60 61 A K G < S+ 0 0 64 -3,-1.2 -1,-0.3 4,-0.1 -2,-0.2 0.696 79.5 103.2 -69.9 -19.0 28.1 66.1 15.1 61 62 A H S X> S- 0 0 47 -3,-2.1 4,-2.4 -4,-0.2 3,-1.0 -0.496 77.2-135.0 -66.5 124.1 28.1 67.2 11.4 62 63 A P H 3> S+ 0 0 105 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.868 105.9 60.9 -42.9 -41.5 25.2 69.6 10.6 63 64 A A H 34 S+ 0 0 65 1,-0.2 4,-0.2 2,-0.2 -4,-0.1 0.866 109.4 39.5 -56.8 -41.4 24.6 67.5 7.4 64 65 A E H X4 S+ 0 0 0 -3,-1.0 3,-1.4 -6,-0.4 -1,-0.2 0.858 111.9 55.6 -79.0 -35.6 23.9 64.3 9.5 65 66 A L H 3< S+ 0 0 30 -4,-2.4 8,-0.2 1,-0.3 9,-0.2 0.815 100.8 63.1 -62.9 -27.5 22.0 66.2 12.2 66 67 A A T 3< S+ 0 0 73 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.615 74.3 113.9 -74.3 -15.5 19.8 67.4 9.3 67 68 A H S X S- 0 0 21 -3,-1.4 3,-2.0 -4,-0.2 -3,-0.0 -0.366 75.9-127.1 -57.4 134.1 18.7 63.9 8.5 68 69 A S G > S+ 0 0 82 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.849 109.5 58.6 -56.7 -35.2 14.9 63.7 9.2 69 70 A A G 3 S+ 0 0 49 1,-0.3 -1,-0.3 61,-0.1 -2,-0.1 0.690 103.0 56.7 -64.6 -19.1 15.5 60.6 11.5 70 71 A N G X S+ 0 0 2 -3,-2.0 3,-2.3 -6,-0.2 4,-0.3 0.166 71.2 148.3-103.2 14.7 17.8 62.7 13.6 71 72 A N T < S+ 0 0 66 -3,-1.5 101,-0.1 1,-0.3 -5,-0.1 -0.287 73.6 14.9 -51.2 127.2 15.4 65.6 14.5 72 73 A G T >> S+ 0 0 13 -7,-0.1 3,-1.2 99,-0.1 4,-0.7 0.210 92.0 107.7 90.6 -13.8 16.3 66.9 17.9 73 74 A L H <> + 0 0 0 -3,-2.3 4,-2.3 1,-0.3 5,-0.2 0.699 64.5 74.4 -72.2 -15.8 19.8 65.3 18.1 74 75 A D H 3> S+ 0 0 90 -4,-0.3 4,-2.5 1,-0.2 -1,-0.3 0.838 92.3 57.1 -58.6 -34.0 21.4 68.7 17.6 75 76 A I H <> S+ 0 0 42 -3,-1.2 4,-2.7 2,-0.2 -1,-0.2 0.906 106.0 48.7 -59.9 -45.4 20.3 69.3 21.3 76 77 A A H X S+ 0 0 0 -4,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.931 112.0 48.0 -60.6 -48.0 22.3 66.2 22.3 77 78 A V H X S+ 0 0 15 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.932 113.4 47.4 -60.8 -47.7 25.4 67.3 20.4 78 79 A R H >< S+ 0 0 158 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.908 109.3 54.5 -59.7 -45.5 25.1 70.9 21.9 79 80 A L H 3< S+ 0 0 30 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.876 112.7 43.0 -56.3 -41.0 24.6 69.5 25.5 80 81 A L H 3X S+ 0 0 0 -4,-1.9 4,-3.1 1,-0.2 5,-0.2 0.651 90.6 87.0 -81.9 -16.9 27.8 67.4 25.2 81 82 A E H S+ 0 0 88 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.927 116.4 45.1 -57.0 -45.1 31.3 71.7 26.8 83 84 A L H >4 S+ 0 0 11 -4,-0.4 3,-1.3 1,-0.2 4,-0.3 0.925 110.6 52.9 -61.3 -47.3 32.1 68.3 28.4 84 85 A K H >< S+ 0 0 10 -4,-3.1 3,-2.2 1,-0.3 6,-0.2 0.876 101.2 62.1 -55.6 -38.8 33.8 67.0 25.2 85 86 A A H 3< S+ 0 0 70 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.744 95.7 60.1 -61.8 -25.1 36.0 70.2 25.3 86 87 A E T << S+ 0 0 104 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.582 107.9 47.7 -74.6 -13.1 37.4 69.0 28.6 87 88 A F X + 0 0 10 -3,-2.2 3,-1.3 -4,-0.3 -1,-0.2 -0.513 62.1 158.7-128.7 64.3 38.6 65.9 26.9 88 89 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.797 72.1 63.4 -58.9 -28.8 40.4 67.1 23.7 89 90 A I T 3 S+ 0 0 81 -3,-0.1 2,-0.2 -79,-0.1 -78,-0.1 0.779 88.1 85.6 -67.1 -29.4 42.3 63.8 23.5 90 91 A L S < S- 0 0 6 -3,-1.3 2,-0.1 -6,-0.2 -3,-0.1 -0.511 81.9-120.2 -75.9 140.1 39.1 61.7 23.0 91 92 A S > - 0 0 13 27,-0.2 4,-2.4 -2,-0.2 5,-0.1 -0.438 18.5-125.5 -65.0 148.2 37.6 61.1 19.5 92 93 A Y H > S+ 0 0 43 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.883 113.6 61.4 -56.4 -39.2 34.0 62.4 19.2 93 94 A A H > S+ 0 0 2 1,-0.2 4,-1.7 -37,-0.2 -36,-0.2 0.943 109.2 38.2 -52.4 -56.4 33.4 58.8 18.0 94 95 A D H > S+ 0 0 2 24,-0.5 4,-2.9 2,-0.2 -1,-0.2 0.899 114.4 56.2 -60.6 -43.6 34.5 57.4 21.4 95 96 A F H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.919 108.3 45.3 -61.0 -45.7 32.9 60.2 23.3 96 97 A Y H X S+ 0 0 2 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.884 114.6 48.0 -67.2 -40.1 29.4 59.7 21.9 97 98 A Q H X S+ 0 0 1 -4,-1.7 4,-2.3 -5,-0.3 -1,-0.2 0.894 110.8 51.9 -66.2 -39.1 29.5 55.9 22.3 98 99 A L H X S+ 0 0 2 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.925 107.0 53.5 -59.7 -44.6 30.8 56.4 25.9 99 100 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.886 108.8 50.0 -55.7 -40.9 27.8 58.7 26.5 100 101 A G H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.915 111.2 47.4 -64.9 -45.8 25.5 56.0 25.3 101 102 A V H X S+ 0 0 5 -4,-2.3 4,-2.2 1,-0.2 11,-0.3 0.943 114.2 47.4 -60.9 -47.0 27.1 53.4 27.6 102 103 A V H X S+ 0 0 0 -4,-3.0 4,-3.2 1,-0.2 5,-0.3 0.895 106.2 59.1 -62.1 -42.2 26.9 55.8 30.5 103 104 A A H X S+ 0 0 0 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.895 108.6 44.3 -51.6 -46.8 23.2 56.6 29.6 104 105 A V H <>S+ 0 0 0 -4,-1.7 5,-2.8 -3,-0.2 -1,-0.2 0.911 115.5 49.3 -65.2 -44.8 22.3 52.9 30.1 105 106 A E H ><5S+ 0 0 35 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.941 108.8 48.9 -60.8 -50.4 24.3 52.7 33.3 106 107 A V H 3<5S+ 0 0 51 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.725 107.2 56.3 -70.2 -20.3 23.0 55.7 35.1 107 108 A T T 3<5S- 0 0 11 -4,-1.0 78,-3.2 -5,-0.3 -1,-0.3 0.353 129.3 -94.1 -89.3 3.0 19.4 54.7 34.4 108 109 A G T < 5S+ 0 0 49 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.2 0.591 81.2 135.8 98.8 14.6 20.0 51.3 36.1 109 110 A G < - 0 0 11 -5,-2.8 -1,-0.2 1,-0.2 77,-0.0 -0.169 61.1 -68.7 -87.0-179.7 20.9 49.3 33.1 110 111 A P - 0 0 17 0, 0.0 2,-0.9 0, 0.0 -1,-0.2 -0.226 50.7-105.5 -65.7 160.0 23.6 46.7 32.5 111 112 A E - 0 0 153 -3,-0.1 -9,-0.1 -6,-0.1 -10,-0.0 -0.810 36.4-151.4 -88.3 107.4 27.3 47.8 32.3 112 113 A V - 0 0 7 -2,-0.9 -7,-0.1 -11,-0.3 124,-0.1 -0.722 21.8-113.2 -84.8 123.0 28.1 47.6 28.6 113 114 A P - 0 0 61 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.209 34.0-155.8 -54.9 144.6 31.8 46.9 28.0 114 115 A F - 0 0 39 -3,-0.0 125,-0.0 -13,-0.0 -16,-0.0 -0.993 14.3-174.3-130.9 130.9 33.6 49.8 26.3 115 116 A H - 0 0 57 -2,-0.4 3,-0.2 -21,-0.0 2,-0.0 -0.990 18.5-141.5-123.2 125.4 36.7 49.8 24.2 116 117 A P + 0 0 14 0, 0.0 -104,-0.0 0, 0.0 -26,-0.0 -0.285 61.2 83.3 -79.1 169.1 38.3 53.0 23.1 117 118 A G + 0 0 14 1,-0.3 2,-0.1 -113,-0.1 130,-0.1 0.384 41.3 145.9 122.6 0.8 40.0 53.8 19.8 118 119 A R - 0 0 2 -3,-0.2 -24,-0.5 -27,-0.1 -1,-0.3 -0.452 41.2-138.1 -64.4 135.3 37.3 54.8 17.2 119 120 A E - 0 0 154 -2,-0.1 2,-0.6 -26,-0.1 -1,-0.1 -0.711 16.8-111.0 -94.8 148.8 38.6 57.4 14.8 120 121 A D - 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0 0 19 -4,-1.0 4,-2.8 1,-0.1 0, 0.0 -0.634 69.4-138.1 -79.9 130.7 7.3 37.8 14.1 214 215 A P T 4 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.794 104.2 36.0 -55.4 -33.2 7.9 34.1 14.7 215 216 A V T > S+ 0 0 71 2,-0.1 4,-0.7 3,-0.1 -5,-0.1 0.868 119.4 47.2 -87.5 -41.9 11.5 34.8 15.8 216 217 A F H >> S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 3,-0.7 0.900 101.9 64.6 -68.7 -40.2 11.1 38.1 17.6 217 218 A R H 3X S+ 0 0 90 -4,-2.8 4,-2.8 1,-0.3 5,-0.2 0.896 98.1 50.5 -55.9 -50.3 8.0 37.1 19.7 218 219 A P H 3> S+ 0 0 74 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.820 111.6 51.5 -57.7 -29.7 9.7 34.4 21.9 219 220 A L H S+ 0 0 69 -2,-0.4 4,-3.1 1,-0.2 5,-0.2 0.845 87.7 58.6 -67.1 -33.3 14.9 40.9 33.1 228 229 A D H > S+ 0 0 128 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.923 106.2 48.7 -57.5 -46.9 18.4 39.3 33.8 229 230 A A H > S+ 0 0 18 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.905 111.9 49.5 -59.6 -45.7 18.2 37.6 30.4 230 231 A F H X S+ 0 0 0 -4,-2.0 4,-3.6 -7,-0.2 5,-0.3 0.956 110.1 50.5 -56.1 -52.2 17.2 41.0 28.8 231 232 A F H X S+ 0 0 38 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.875 112.6 46.6 -56.3 -41.7 20.1 42.8 30.5 232 233 A A H X S+ 0 0 60 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.948 117.4 41.6 -65.3 -48.8 22.6 40.1 29.3 233 234 A D H X S+ 0 0 18 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.874 115.1 52.0 -70.6 -37.5 21.3 40.1 25.7 234 235 A Y H X S+ 0 0 4 -4,-3.6 4,-3.1 -5,-0.2 5,-0.3 0.932 108.5 50.3 -61.2 -49.4 21.0 43.9 25.7 235 236 A A H X S+ 0 0 16 -4,-2.5 4,-2.2 -5,-0.3 -2,-0.2 0.910 112.4 48.0 -57.0 -43.2 24.6 44.4 26.9 236 237 A E H X S+ 0 0 93 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.938 115.0 44.6 -59.9 -50.4 25.8 42.1 24.2 237 238 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.899 112.7 49.8 -66.6 -42.6 23.8 43.8 21.5 238 239 A H H X S+ 0 0 1 -4,-3.1 4,-3.1 2,-0.2 -1,-0.2 0.924 110.3 51.6 -65.4 -44.2 24.7 47.4 22.6 239 240 A Q H X S+ 0 0 40 -4,-2.2 4,-1.0 -5,-0.3 -2,-0.2 0.964 112.4 45.6 -54.0 -52.3 28.4 46.5 22.7 240 241 A K H >< S+ 0 0 69 -4,-2.3 3,-1.0 1,-0.2 4,-0.3 0.937 113.9 49.3 -57.3 -47.2 28.1 45.1 19.1 241 242 A L H >< S+ 0 0 4 -4,-3.0 3,-1.4 1,-0.3 -1,-0.2 0.930 109.6 50.9 -56.2 -49.8 26.2 48.2 17.9 242 243 A S H 3< S+ 0 0 0 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.654 114.8 45.6 -63.5 -17.0 28.7 50.6 19.5 243 244 A E T X< S+ 0 0 4 -3,-1.0 3,-2.4 -4,-1.0 -1,-0.3 0.239 74.9 141.4-114.6 9.5 31.5 48.7 17.7 244 245 A L T < S+ 0 0 8 -3,-1.4 5,-0.1 -4,-0.3 3,-0.1 -0.322 83.8 2.0 -53.7 127.1 30.1 48.3 14.2 245 246 A G T 3 S+ 0 0 20 1,-0.2 2,-0.5 -97,-0.2 4,-0.3 0.495 111.0 114.5 73.1 3.1 32.9 48.8 11.7 246 247 A F S < S- 0 0 10 -3,-2.4 -1,-0.2 2,-0.3 -128,-0.1 -0.927 85.5 -5.5-116.1 127.0 35.3 49.3 14.5 247 248 A A S S- 0 0 16 -2,-0.5 -244,-2.0 -245,-0.1 -1,-0.2 0.848 145.2 -22.4 61.2 36.6 38.2 46.8 15.3 248 249 A D 0 0 127 -3,-0.3 -2,-0.3 -246,-0.2 -3,-0.0 0.835 360.0 360.0 85.4 94.4 36.7 44.7 12.5 249 250 A A 0 0 56 -4,-0.3 -1,-0.2 -5,-0.1 -2,-0.1 -0.956 360.0 360.0-144.2 360.0 33.1 44.8 11.2