==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-JAN-00 1DSP . COMPND 2 MOLECULE: CYTOCHROME C PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR J.HIRST,S.K.WILCOX,P.A.WILLIAMS,D.E.MCREE,D.B.GOODIN . 291 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12748.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 61.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 9 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 35.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 4 0 0 0 2 2 0 1 1 1 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 3 1 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 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 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 4 A L 0 0 125 0, 0.0 2,-0.4 0, 0.0 269,-0.0 0.000 360.0 360.0 360.0 112.8 12.2 15.2 23.9 2 5 A V - 0 0 101 2,-0.0 2,-0.5 269,-0.0 269,-0.1 -0.912 360.0-169.0-114.7 141.3 9.8 12.9 22.0 3 6 A H - 0 0 32 267,-0.4 269,-4.4 -2,-0.4 2,-0.5 -0.943 10.8-164.2-124.1 103.1 8.6 13.3 18.4 4 7 A V B -a 272 0A 71 -2,-0.5 269,-0.2 267,-0.2 2,-0.2 -0.751 21.8-121.3 -93.4 131.2 5.8 11.0 17.5 5 8 A A - 0 0 11 267,-3.4 2,-0.4 -2,-0.5 122,-0.2 -0.482 27.7-170.5 -65.3 133.8 5.0 10.5 13.8 6 9 A S - 0 0 76 120,-2.7 120,-0.2 -2,-0.2 3,-0.1 -0.924 21.0-129.3-133.6 106.5 1.4 11.5 12.8 7 10 A V - 0 0 54 -2,-0.4 3,-0.2 118,-0.2 121,-0.0 -0.267 35.6 -99.6 -53.5 133.6 0.2 10.6 9.4 8 11 A E > - 0 0 20 1,-0.2 3,-1.9 2,-0.1 -1,-0.1 -0.329 65.2 -72.8 -53.3 138.1 -1.3 13.5 7.5 9 12 A K T 3 S- 0 0 177 1,-0.3 -1,-0.2 89,-0.1 3,-0.1 -0.134 104.1 -21.2 -58.3 120.7 -5.1 13.1 7.9 10 13 A G T 3 S+ 0 0 75 1,-0.2 -1,-0.3 -3,-0.2 2,-0.1 0.367 98.1 136.2 68.3 2.0 -6.6 10.3 5.8 11 14 A R < + 0 0 75 -3,-1.9 -1,-0.2 3,-0.1 2,-0.2 -0.394 26.9 175.5 -79.0 156.4 -3.7 10.1 3.4 12 15 A S >> - 0 0 43 -3,-0.1 4,-1.8 -2,-0.1 3,-0.8 -0.746 49.8 -62.2-139.3-167.3 -2.2 6.8 2.2 13 16 A Y H 3> S+ 0 0 68 1,-0.3 4,-3.2 -2,-0.2 5,-0.2 0.859 127.5 55.6 -48.9 -46.5 0.4 5.4 -0.1 14 17 A E H 3> S+ 0 0 115 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.871 105.0 52.6 -61.1 -38.2 -1.4 6.7 -3.2 15 18 A D H <> S+ 0 0 20 -3,-0.8 4,-1.3 2,-0.2 -1,-0.2 0.916 113.6 43.2 -60.6 -44.4 -1.3 10.2 -1.9 16 19 A F H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 3,-0.4 0.937 108.4 56.9 -72.6 -40.4 2.4 10.0 -1.3 17 20 A Q H X S+ 0 0 14 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.827 104.3 56.3 -56.9 -30.5 3.1 8.3 -4.7 18 21 A K H X S+ 0 0 98 -4,-1.5 4,-2.3 -5,-0.2 -1,-0.2 0.903 107.1 47.2 -66.1 -41.3 1.4 11.3 -6.3 19 22 A V H X S+ 0 0 0 -4,-1.3 4,-2.4 -3,-0.4 -2,-0.2 0.928 110.6 52.4 -66.8 -45.0 3.8 13.6 -4.6 20 23 A Y H X S+ 0 0 0 -4,-2.6 4,-3.3 2,-0.2 5,-0.3 0.961 109.7 49.7 -47.3 -59.5 6.7 11.4 -5.7 21 24 A N H X S+ 0 0 22 -4,-2.5 4,-3.1 1,-0.3 5,-0.3 0.902 109.1 50.8 -54.9 -44.3 5.5 11.5 -9.3 22 25 A A H X S+ 0 0 18 -4,-2.3 4,-1.7 1,-0.2 -1,-0.3 0.924 113.2 45.8 -62.4 -40.7 5.2 15.3 -9.2 23 26 A I H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.960 114.4 48.0 -65.1 -46.0 8.7 15.6 -7.9 24 27 A A H X S+ 0 0 1 -4,-3.3 4,-1.7 1,-0.2 -2,-0.2 0.874 109.7 53.2 -62.3 -37.6 10.1 13.1 -10.4 25 28 A L H X S+ 0 0 47 -4,-3.1 4,-1.7 -5,-0.3 -1,-0.2 0.890 109.1 47.5 -66.7 -40.1 8.3 14.7 -13.3 26 29 A K H X S+ 0 0 46 -4,-1.7 4,-2.4 -5,-0.3 -1,-0.2 0.793 107.7 57.3 -72.3 -24.9 9.8 18.2 -12.5 27 30 A L H < S+ 0 0 24 -4,-1.5 12,-0.2 2,-0.2 -1,-0.2 0.862 109.6 45.9 -67.4 -40.5 13.2 16.6 -12.2 28 31 A R H < S+ 0 0 115 -4,-1.7 3,-0.4 -5,-0.2 -2,-0.2 0.874 118.1 42.4 -67.0 -38.0 12.8 15.3 -15.7 29 32 A E H < S+ 0 0 131 -4,-1.7 2,-0.7 1,-0.2 -2,-0.2 0.795 106.7 56.1 -90.8 -29.6 11.6 18.6 -17.0 30 33 A D >< + 0 0 50 -4,-2.4 3,-0.6 1,-0.2 9,-0.3 -0.427 69.6 142.4 -98.2 56.2 13.9 21.1 -15.3 31 34 A D T 3 + 0 0 73 -2,-0.7 -1,-0.2 -3,-0.4 7,-0.1 0.519 50.7 68.2 -77.1 -13.4 17.0 19.4 -16.7 32 35 A E T 3> + 0 0 92 -3,-0.2 4,-3.1 4,-0.1 3,-0.3 0.724 66.2 120.7 -90.1 -18.5 19.2 22.4 -17.5 33 36 A Y H <>>S+ 0 0 44 -3,-0.6 5,-2.6 2,-0.2 4,-1.0 -0.089 80.8 10.5 -45.9 137.2 19.9 23.6 -13.9 34 37 A D H >45S- 0 0 44 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.941 142.9 -46.5 56.5 53.1 23.6 23.6 -12.9 35 38 A N H 345S- 0 0 149 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.916 111.8 -50.8 55.5 46.9 24.9 23.0 -16.5 36 39 A Y H 3<5S+ 0 0 152 -4,-3.1 -1,-0.3 1,-0.1 -3,-0.2 0.684 109.5 116.8 69.4 16.2 22.5 20.2 -17.2 37 40 A I T <<5 - 0 0 16 -4,-1.0 3,-0.3 -3,-0.9 -3,-0.2 0.856 67.0-149.3 -74.6 -32.8 23.3 18.3 -14.0 38 41 A G < - 0 0 8 -5,-2.6 4,-0.4 1,-0.2 -7,-0.1 -0.291 27.8 -67.9 90.7 178.7 19.7 18.9 -12.9 39 42 A Y S > S+ 0 0 38 -9,-0.3 4,-2.1 -12,-0.2 5,-0.2 0.510 101.0 97.6 -90.3 -2.2 18.2 19.2 -9.4 40 43 A G H > S+ 0 0 3 -3,-0.3 4,-1.9 1,-0.2 5,-0.3 0.954 84.8 43.3 -52.7 -61.3 18.8 15.6 -8.2 41 44 A P H > S+ 0 0 15 0, 0.0 4,-2.6 0, 0.0 3,-0.3 0.921 112.6 51.6 -52.6 -49.9 22.0 16.2 -6.3 42 45 A V H > S+ 0 0 19 -4,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.899 109.2 54.2 -60.5 -33.7 20.9 19.4 -4.6 43 46 A L H X S+ 0 0 2 -4,-2.1 4,-2.1 -3,-0.2 -1,-0.2 0.894 108.6 44.9 -68.2 -36.6 17.7 17.6 -3.5 44 47 A V H X S+ 0 0 18 -4,-1.9 4,-2.1 -3,-0.3 -1,-0.2 0.899 112.2 54.2 -78.0 -26.9 19.5 14.7 -1.8 45 48 A R H X S+ 0 0 86 -4,-2.6 4,-2.9 -5,-0.3 -2,-0.2 0.929 107.1 50.5 -63.6 -39.5 21.9 17.2 -0.2 46 49 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 5,-0.3 0.939 108.8 51.9 -60.8 -43.6 18.9 19.1 1.2 47 50 A A H X S+ 0 0 0 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.905 112.7 45.7 -60.5 -36.5 17.5 15.9 2.6 48 51 A W H X S+ 0 0 52 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.941 111.8 50.6 -74.8 -43.7 20.8 15.2 4.3 49 52 A H H < S+ 0 0 8 -4,-2.9 4,-0.3 1,-0.2 -2,-0.2 0.836 109.6 49.1 -65.0 -34.1 21.3 18.7 5.7 50 53 A I H < S+ 0 0 3 -4,-2.4 12,-0.3 -5,-0.2 3,-0.3 0.816 119.8 39.7 -75.3 -24.9 17.8 18.9 7.2 51 54 A S H >< S+ 0 0 0 -4,-1.1 3,-1.7 -5,-0.3 -2,-0.2 0.813 102.6 71.0 -85.8 -31.2 18.4 15.5 8.9 52 55 A G T 3< S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.1 0.433 80.9 73.8 -70.9 -2.3 22.1 16.2 9.7 53 56 A T T 3 S+ 0 0 5 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.485 72.0 122.5 -84.1 -5.1 21.3 18.7 12.5 54 57 A W < - 0 0 22 -3,-1.7 2,-0.4 7,-0.2 7,-0.2 -0.291 47.0-160.6 -64.1 146.4 20.1 15.9 14.7 55 58 A D B >>> -B 60 0B 27 5,-2.0 4,-1.9 6,-0.1 3,-0.8 -0.946 8.0-158.2-126.1 108.8 21.7 15.3 18.1 56 59 A K T 345S+ 0 0 89 101,-2.3 102,-0.1 -2,-0.4 -1,-0.1 0.681 86.5 67.8 -57.7 -19.0 21.2 11.9 19.6 57 60 A H T 345S+ 0 0 139 100,-0.2 -1,-0.2 1,-0.2 -3,-0.0 0.883 122.9 5.5 -76.6 -41.8 21.8 13.2 23.1 58 61 A D T <45S- 0 0 78 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.2 0.327 97.1-116.2-124.2 11.3 18.7 15.4 23.5 59 62 A N T <5 + 0 0 24 -4,-1.9 2,-0.2 1,-0.2 -3,-0.2 0.761 63.3 148.0 58.6 31.3 16.8 14.6 20.3 60 63 A T B < +B 55 0B 37 -5,-0.6 -5,-2.0 -7,-0.1 -1,-0.2 -0.563 50.4 9.8 -87.7 161.5 17.0 18.2 18.9 61 64 A G S S+ 0 0 16 73,-0.4 3,-0.3 -7,-0.2 -7,-0.2 -0.215 73.7 125.9 65.0-158.5 17.2 18.9 15.2 62 65 A G S S- 0 0 5 -12,-0.3 3,-0.4 1,-0.2 5,-0.3 -0.230 78.0 -69.9 94.8 169.0 16.6 16.1 12.8 63 66 A S S > S+ 0 0 2 206,-0.4 3,-1.0 203,-0.3 -1,-0.2 0.662 105.3 91.0 -76.9 -11.0 14.1 16.0 9.9 64 67 A Y T 3 S+ 0 0 21 205,-0.4 38,-0.3 -3,-0.3 -1,-0.2 0.867 88.5 38.1 -56.7 -47.9 10.9 15.8 12.0 65 68 A G T 3 S- 0 0 7 -3,-0.4 65,-1.9 64,-0.2 -1,-0.2 0.510 90.2-134.9 -87.6 -6.5 10.0 19.5 12.4 66 69 A G X + 0 0 2 -3,-1.0 3,-1.5 -4,-0.2 4,-0.1 0.864 44.0 159.5 54.2 41.1 11.0 20.9 9.0 67 70 A T G > + 0 0 7 -5,-0.3 3,-2.8 1,-0.3 6,-0.4 0.651 51.0 88.7 -76.2 -9.2 12.7 23.8 10.6 68 71 A Y G 3 S+ 0 0 0 1,-0.3 -1,-0.3 5,-0.2 6,-0.1 0.746 77.3 69.6 -55.2 -24.4 14.8 24.5 7.5 69 72 A R G < S+ 0 0 76 -3,-1.5 -1,-0.3 4,-0.1 2,-0.2 0.730 84.3 87.6 -66.7 -19.2 11.8 26.7 6.5 70 73 A F S <> S- 0 0 32 -3,-2.8 4,-2.8 -4,-0.1 3,-0.5 -0.575 88.0-120.9 -85.6 147.0 12.7 29.1 9.3 71 74 A K H > S+ 0 0 117 1,-0.2 4,-2.0 -2,-0.2 -1,-0.1 0.799 107.0 61.0 -58.3 -32.8 15.2 31.9 8.5 72 75 A K H 4 S+ 0 0 83 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.967 116.0 31.5 -59.7 -49.8 17.8 30.8 11.1 73 76 A E H >4 S+ 0 0 4 -3,-0.5 3,-0.9 -6,-0.4 -2,-0.2 0.877 117.0 57.1 -75.1 -37.9 18.3 27.4 9.5 74 77 A F H 3< S+ 0 0 13 -4,-2.8 -1,-0.2 -7,-0.3 -2,-0.2 0.830 111.1 44.5 -61.6 -33.1 17.6 28.6 5.9 75 78 A N T 3< S+ 0 0 83 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.424 78.3 131.5 -98.1 3.2 20.5 31.2 6.3 76 79 A D X - 0 0 10 -3,-0.9 3,-2.4 -4,-0.3 4,-0.1 -0.314 61.4-135.1 -49.4 124.0 22.9 28.8 8.0 77 80 A P G > S+ 0 0 96 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.835 105.2 63.6 -61.2 -28.0 26.1 29.3 5.9 78 81 A S G 3 S+ 0 0 46 1,-0.3 -2,-0.1 3,-0.0 -3,-0.0 0.708 99.0 56.3 -66.1 -17.4 26.6 25.6 5.8 79 82 A N G X S+ 0 0 1 -3,-2.4 3,-2.5 -6,-0.1 4,-0.4 0.238 75.6 143.2 -97.6 13.3 23.3 25.5 3.8 80 83 A A T < + 0 0 29 -3,-1.5 -5,-0.1 1,-0.3 101,-0.1 -0.307 69.3 21.3 -56.7 129.6 24.6 27.8 1.2 81 84 A G T > S+ 0 0 7 99,-0.1 3,-1.2 100,-0.0 4,-0.4 0.084 93.8 101.3 100.1 -22.6 23.2 26.8 -2.2 82 85 A L T X> + 0 0 0 -3,-2.5 4,-1.8 1,-0.3 3,-1.6 0.734 59.7 81.9 -73.8 -14.4 20.3 24.8 -0.8 83 86 A Q H 3> S+ 0 0 63 -4,-0.4 4,-2.2 1,-0.3 -1,-0.3 0.850 84.8 61.3 -57.5 -33.3 17.9 27.6 -1.6 84 87 A N H <> S+ 0 0 70 -3,-1.2 4,-1.1 1,-0.2 -1,-0.3 0.815 104.5 47.0 -63.3 -29.0 17.7 26.3 -5.1 85 88 A G H <> S+ 0 0 0 -3,-1.6 4,-1.8 -4,-0.4 -2,-0.2 0.877 109.9 53.5 -79.3 -35.8 16.3 23.0 -3.9 86 89 A F H X S+ 0 0 41 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.911 109.5 47.9 -57.6 -46.1 13.8 24.7 -1.7 87 90 A K H < S+ 0 0 104 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.793 107.0 57.3 -71.6 -30.0 12.5 26.8 -4.6 88 91 A F H < S+ 0 0 4 -4,-1.1 4,-0.5 -5,-0.2 -1,-0.2 0.913 112.7 40.9 -58.4 -44.7 12.3 23.6 -6.8 89 92 A L H >X S+ 0 0 2 -4,-1.8 4,-2.1 1,-0.2 3,-1.1 0.824 93.8 83.8 -78.2 -31.6 10.0 22.1 -4.2 90 93 A E H 3X S+ 0 0 80 -4,-1.9 4,-2.2 1,-0.3 5,-0.2 0.837 90.0 49.1 -46.8 -50.0 7.9 25.2 -3.5 91 94 A P H 3> S+ 0 0 49 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.900 110.8 51.9 -59.5 -35.7 5.5 24.7 -6.4 92 95 A I H <> S+ 0 0 6 -3,-1.1 4,-2.1 -4,-0.5 -2,-0.2 0.898 107.7 51.2 -68.1 -35.8 5.0 21.1 -5.5 93 96 A H H < S+ 0 0 48 -4,-2.1 6,-0.2 1,-0.2 -1,-0.2 0.954 107.9 53.4 -65.5 -41.2 4.2 22.0 -1.9 94 97 A K H < S+ 0 0 147 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.896 110.6 46.9 -55.4 -43.5 1.6 24.5 -3.3 95 98 A E H < S+ 0 0 129 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.839 125.3 30.7 -72.1 -27.9 0.1 21.7 -5.3 96 99 A F S >< S+ 0 0 21 -4,-2.1 3,-1.6 -5,-0.1 -1,-0.3 -0.610 70.8 164.1-131.2 71.8 0.1 19.4 -2.3 97 100 A P T 3 + 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.641 64.8 71.2 -71.2 -12.3 -0.4 21.7 0.7 98 101 A W T 3 S+ 0 0 59 -3,-0.1 2,-0.2 -5,-0.1 -89,-0.1 0.725 76.9 93.9 -79.9 -15.8 -1.4 18.9 3.1 99 102 A I S < S- 0 0 3 -3,-1.6 -3,-0.1 -6,-0.2 2,-0.1 -0.539 79.8-117.5 -79.9 143.7 2.1 17.4 3.2 100 103 A S > - 0 0 13 -2,-0.2 4,-2.3 27,-0.2 5,-0.2 -0.374 19.9-118.1 -72.0 155.1 4.4 18.5 6.1 101 104 A S H > S+ 0 0 7 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.918 114.4 51.3 -58.1 -47.8 7.7 20.3 5.3 102 105 A G H > S+ 0 0 0 -38,-0.3 4,-2.0 1,-0.2 5,-0.2 0.889 110.7 48.1 -59.7 -41.4 9.7 17.6 6.9 103 106 A D H > S+ 0 0 0 24,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.909 113.9 47.6 -68.2 -35.8 8.0 14.9 4.9 104 107 A L H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.924 111.1 48.9 -72.5 -42.9 8.4 16.9 1.7 105 108 A F H X S+ 0 0 5 -4,-3.2 4,-1.2 1,-0.2 -2,-0.2 0.940 116.5 43.4 -61.1 -45.0 12.1 17.7 2.2 106 109 A S H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.883 112.7 50.6 -70.5 -35.4 12.9 14.1 3.0 107 110 A L H X S+ 0 0 0 -4,-2.1 4,-3.1 -5,-0.2 5,-0.2 0.872 103.0 61.4 -71.9 -29.2 10.8 12.6 0.2 108 111 A G H X S+ 0 0 1 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.910 106.3 47.6 -55.7 -40.5 12.5 15.0 -2.3 109 112 A G H X S+ 0 0 0 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.892 111.7 48.0 -70.1 -40.6 15.7 13.2 -1.3 110 113 A V H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.932 112.2 50.2 -64.4 -43.1 14.2 9.7 -1.7 111 114 A T H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.886 109.0 51.3 -60.3 -45.1 12.8 10.7 -5.1 112 115 A A H X S+ 0 0 0 -4,-2.0 4,-1.5 -5,-0.2 6,-0.2 0.937 110.3 48.1 -59.1 -51.8 16.1 12.1 -6.5 113 116 A V H <>S+ 0 0 0 -4,-1.9 5,-2.8 1,-0.2 3,-0.3 0.939 115.2 44.3 -59.1 -47.5 18.1 9.0 -5.5 114 117 A Q H ><5S+ 0 0 6 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.920 113.6 50.0 -64.7 -39.2 15.6 6.6 -7.1 115 118 A E H 3<5S+ 0 0 47 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.719 105.0 58.4 -74.3 -17.2 15.1 8.7 -10.2 116 119 A M T 3<5S- 0 0 15 -4,-1.5 79,-3.0 -3,-0.3 -1,-0.3 0.171 128.0 -99.8 -95.9 19.3 18.9 8.9 -10.6 117 120 A Q T < 5S+ 0 0 132 -3,-1.5 -3,-0.2 77,-0.2 -2,-0.2 0.679 78.6 139.8 74.7 23.3 18.9 5.1 -10.8 118 121 A G < - 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0 0 54 -34,-0.2 -4,-3.2 -4,-0.1 2,-0.3 -0.893 59.7-115.4-112.4 148.0 41.4 26.2 0.3 218 221 A E E +E 212 0E 104 -2,-0.4 2,-0.3 -6,-0.3 -6,-0.3 -0.635 40.5 162.6 -82.7 139.4 43.1 22.9 -0.2 219 222 A Q E -E 211 0E 8 -8,-2.5 -8,-2.8 -2,-0.3 2,-0.5 -0.953 41.6-105.1-143.9 160.5 41.4 20.1 -2.1 220 223 A W E -EF 210 228E 43 8,-2.6 8,-2.3 -2,-0.3 2,-0.3 -0.808 38.6-165.5 -88.5 125.3 42.6 16.9 -3.7 221 224 A D E -EF 209 227E 28 -12,-3.0 -12,-2.8 -2,-0.5 2,-0.3 -0.864 6.2-156.2-116.4 142.8 42.7 17.2 -7.5 222 225 A S E > -E 208 0E 9 4,-2.2 3,-1.5 -2,-0.3 -14,-0.1 -0.810 28.6-121.1-114.8 159.2 43.0 14.5 -10.1 223 226 A K T 3 S+ 0 0 115 -16,-0.5 -1,-0.1 -2,-0.3 -15,-0.1 0.817 112.0 67.6 -70.2 -23.4 44.2 14.7 -13.7 224 227 A S T 3 S- 0 0 67 -17,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.649 122.6-104.7 -64.7 -16.9 40.8 13.4 -14.8 225 228 A G S < S+ 0 0 50 -3,-1.5 -2,-0.1 1,-0.3 -36,-0.1 0.418 80.4 127.0 102.4 4.4 39.4 16.7 -13.5 226 229 A Y - 0 0 42 -38,-0.1 -4,-2.2 -40,-0.1 -1,-0.3 -0.372 41.0-154.6 -85.5 168.2 37.8 15.3 -10.3 227 230 A M E -F 221 0E 2 -40,-1.9 2,-0.4 -6,-0.2 -6,-0.2 -0.960 7.4-157.8-142.9 158.8 38.2 16.5 -6.8 228 231 A M E -F 220 0E 0 -8,-2.3 -8,-2.6 -2,-0.3 -40,-0.0 -0.993 21.3-126.6-133.8 139.2 38.0 15.2 -3.3 229 232 A L > - 0 0 25 -2,-0.4 4,-3.2 -10,-0.2 5,-0.3 -0.474 31.8-111.0 -73.4 152.4 37.4 17.1 -0.0 230 233 A P H > S+ 0 0 23 0, 0.0 4,-2.1 0, 0.0 -85,-0.2 0.899 123.9 52.7 -50.4 -40.6 40.0 16.5 2.7 231 234 A T H 4 S+ 0 0 17 -87,-1.8 4,-0.4 1,-0.2 -86,-0.1 0.900 110.3 47.8 -66.4 -34.8 37.2 14.8 4.6 232 235 A D H >4 S+ 0 0 8 -88,-0.3 3,-1.6 1,-0.2 4,-0.2 0.944 111.4 49.0 -65.3 -44.7 36.6 12.6 1.5 233 236 A Y H >X S+ 0 0 42 -4,-3.2 3,-2.0 1,-0.3 4,-0.5 0.845 96.8 70.8 -66.7 -29.2 40.3 11.8 1.1 234 237 A S H >X S+ 0 0 0 -4,-2.1 4,-1.7 -5,-0.3 3,-0.7 0.736 80.6 78.0 -60.6 -15.9 40.6 10.9 4.8 235 238 A L H <4 S+ 0 0 0 -3,-1.6 10,-0.3 -4,-0.4 -1,-0.3 0.764 99.3 39.9 -68.1 -20.7 38.5 7.8 4.0 236 239 A I H <4 S+ 0 0 35 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.496 109.5 61.5-103.3 -0.7 41.6 6.1 2.5 237 240 A Q H << S+ 0 0 119 -3,-0.7 -2,-0.2 -4,-0.5 -3,-0.1 0.791 92.8 71.6 -87.6 -32.4 43.9 7.4 5.2 238 241 A D S X S- 0 0 19 -4,-1.7 4,-2.7 1,-0.1 5,-0.2 -0.711 78.3-142.6 -84.9 132.2 42.1 5.7 8.0 239 242 A P H > S+ 0 0 86 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.811 99.1 49.2 -70.1 -29.8 42.7 1.9 8.0 240 243 A K H > S+ 0 0 105 2,-0.2 4,-1.2 1,-0.1 5,-0.1 0.945 114.9 43.8 -72.8 -46.6 39.1 1.0 9.1 241 244 A Y H >> S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 3,-0.6 0.950 108.2 59.7 -57.9 -50.7 37.5 3.3 6.5 242 245 A L H 3X S+ 0 0 42 -4,-2.7 4,-2.4 1,-0.3 5,-0.2 0.878 101.2 52.9 -51.8 -41.8 39.9 2.1 3.8 243 246 A S H 3X S+ 0 0 72 -4,-1.2 4,-1.6 2,-0.2 -1,-0.3 0.924 112.2 45.9 -64.1 -34.9 38.8 -1.5 4.0 244 247 A I H + 0 0 72 -3,-0.5 4,-2.2 -4,-0.3 -1,-0.2 -0.661 52.3 177.4-152.0 90.3 30.6 -4.7 -4.8 252 255 A Q H > S+ 0 0 128 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.910 85.9 49.9 -54.5 -48.0 28.0 -2.4 -6.3 253 256 A D H > S+ 0 0 96 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.939 108.7 50.7 -65.3 -44.9 25.0 -4.2 -4.9 254 257 A K H > S+ 0 0 60 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.945 111.4 49.8 -54.6 -48.9 26.4 -4.3 -1.3 255 258 A F H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.907 109.7 51.0 -56.5 -45.0 27.0 -0.6 -1.5 256 259 A F H X S+ 0 0 46 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.931 113.4 44.3 -60.9 -45.9 23.4 -0.0 -2.8 257 260 A K H X S+ 0 0 93 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.952 114.0 49.3 -62.5 -49.7 21.9 -2.0 0.0 258 261 A D H X S+ 0 0 9 -4,-3.0 4,-2.1 -5,-0.2 5,-0.2 0.910 111.4 49.1 -61.2 -40.6 24.1 -0.5 2.7 259 262 A F H X S+ 0 0 5 -4,-2.8 4,-2.9 -5,-0.3 5,-0.3 0.936 107.6 54.8 -65.3 -40.4 23.3 3.0 1.5 260 263 A S H X S+ 0 0 16 -4,-2.1 4,-2.0 1,-0.2 5,-0.2 0.944 110.0 46.4 -56.7 -50.5 19.6 2.4 1.4 261 264 A K H X S+ 0 0 120 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.914 115.5 45.5 -56.6 -45.8 19.6 1.3 5.0 262 265 A A H X S+ 0 0 3 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.873 111.0 51.1 -72.5 -33.1 21.7 4.2 6.2 263 266 A F H X S+ 0 0 5 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.916 111.4 48.0 -71.9 -38.2 19.9 6.9 4.4 264 267 A E H X S+ 0 0 33 -4,-2.0 4,-1.6 -5,-0.3 -2,-0.2 0.948 111.9 49.7 -65.6 -47.3 16.6 5.8 5.7 265 268 A K H X S+ 0 0 57 -4,-2.3 4,-1.0 -5,-0.2 3,-0.5 0.932 111.0 50.9 -53.4 -46.3 18.0 5.6 9.2 266 269 A L H < S+ 0 0 2 -4,-2.5 3,-0.4 1,-0.2 -203,-0.3 0.888 110.9 47.5 -57.9 -42.4 19.3 9.2 8.7 267 270 A L H < S+ 0 0 2 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.701 116.6 44.4 -74.1 -20.1 16.0 10.4 7.5 268 271 A E H >< S+ 0 0 33 -4,-1.6 3,-1.8 -3,-0.5 -1,-0.2 0.490 78.8 130.1-104.5 -4.1 14.2 8.8 10.5 269 272 A N T 3< S+ 0 0 19 -4,-1.0 -206,-0.4 -3,-0.4 -205,-0.4 -0.271 77.0 15.2 -55.4 135.0 16.5 9.7 13.3 270 273 A G T 3 S+ 0 0 16 1,-0.2 2,-0.5 -208,-0.1 -267,-0.4 0.319 98.9 120.4 84.1 -2.4 14.7 11.2 16.3 271 274 A I < - 0 0 19 -3,-1.8 2,-0.6 -269,-0.1 -1,-0.2 -0.806 52.2-148.7-103.8 131.3 11.3 10.1 15.2 272 275 A T B -a 4 0A 64 -269,-4.4 -267,-3.4 -2,-0.5 -3,-0.0 -0.880 10.2-158.9 -98.6 122.1 9.0 7.8 17.1 273 276 A F - 0 0 41 -2,-0.6 -269,-0.1 -269,-0.2 -267,-0.1 -0.882 18.8-127.0-102.5 115.4 6.8 5.6 15.0 274 277 A P > - 0 0 39 0, 0.0 3,-2.5 0, 0.0 -1,-0.0 -0.165 25.3-112.0 -55.2 150.6 3.6 4.3 16.8 275 278 A K T 3 S+ 0 0 194 1,-0.3 -2,-0.0 0, 0.0 0, 0.0 0.837 118.6 49.9 -58.5 -32.4 3.2 0.5 16.7 276 279 A D T 3 S+ 0 0 117 2,-0.0 -1,-0.3 3,-0.0 3,-0.1 0.247 82.3 122.5 -91.5 11.3 0.1 1.0 14.5 277 280 A A S < S- 0 0 23 -3,-2.5 -4,-0.1 1,-0.1 -151,-0.0 -0.338 74.3 -93.0 -64.6 155.8 1.9 3.3 12.0 278 281 A P - 0 0 54 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.370 44.9-100.2 -65.2 150.0 1.8 2.2 8.4 279 282 A S - 0 0 94 1,-0.1 -156,-0.1 -3,-0.1 -3,-0.0 -0.148 56.5 -75.0 -55.5 161.6 4.8 0.2 7.1 280 283 A P - 0 0 53 0, 0.0 2,-0.3 0, 0.0 -156,-0.2 -0.344 49.7-122.6 -59.9 144.6 7.4 2.1 5.1 281 284 A F B -C 123 0C 24 -158,-3.7 -158,-2.2 -3,-0.1 2,-0.5 -0.694 14.2-157.1 -86.7 143.2 6.4 3.0 1.5 282 285 A I - 0 0 65 -2,-0.3 2,-0.2 -160,-0.2 -162,-0.0 -0.942 19.6-149.4-113.8 106.1 8.4 1.8 -1.4 283 286 A F - 0 0 0 -2,-0.5 2,-0.2 -162,-0.3 -162,-0.1 -0.478 8.4-128.3 -78.5 143.7 7.7 4.2 -4.3 284 287 A K - 0 0 80 -2,-0.2 2,-0.1 1,-0.1 -1,-0.1 -0.635 27.6-117.5 -83.3 150.7 7.8 3.0 -7.9 285 288 A T > - 0 0 13 -2,-0.2 4,-1.4 1,-0.1 6,-0.2 -0.333 24.0-108.5 -79.4 166.8 9.9 5.1 -10.3 286 289 A L H >>>S+ 0 0 0 1,-0.2 5,-2.4 2,-0.2 4,-0.7 0.953 123.2 54.2 -56.2 -46.1 8.5 7.0 -13.4 287 290 A E H >45S+ 0 0 159 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.903 106.0 48.7 -52.3 -48.4 10.3 4.4 -15.4 288 291 A E H 345S+ 0 0 107 1,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.798 114.3 48.6 -70.0 -19.5 8.6 1.5 -13.6 289 292 A Q H <<5S- 0 0 63 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.428 109.5-121.7 -92.5 -5.0 5.3 3.3 -14.1 290 293 A G T <<5 0 0 67 -3,-1.1 -3,-0.2 -4,-0.7 -4,-0.1 0.840 360.0 360.0 65.4 29.1 5.8 3.9 -17.8 291 294 A L < 0 0 129 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.489 360.0 360.0 -99.6 360.0 5.4 7.7 -17.1