==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-AUG-02 1ML2 . COMPND 2 MOLECULE: CYTOCHROME C PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR B.BHASKAR,C.E.IMMOOS,H.SHIMIZU,P.J.FARMER,T.L.POULOS . 294 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13559.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 5.4 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 . 42 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 35.0 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 3 0 0 0 3 1 0 1 1 0 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 2 2 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 . 3 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 1 A T 0 0 187 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-132.0 22.1 51.1 54.2 2 2 A T - 0 0 112 1,-0.1 59,-0.1 0, 0.0 0, 0.0 -0.353 360.0 -79.9 -65.9 146.4 24.8 51.7 51.5 3 3 A P - 0 0 82 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.168 50.8-136.5 -48.7 135.2 25.8 48.6 49.5 4 4 A L - 0 0 58 57,-0.7 2,-0.5 -3,-0.1 0, 0.0 -0.754 4.7-135.0-100.9 144.9 28.3 46.4 51.5 5 5 A V - 0 0 110 -2,-0.3 2,-0.7 269,-0.0 269,-0.1 -0.852 12.3-158.0-100.5 128.9 31.4 44.8 50.1 6 6 A H E -a 274 0A 25 267,-0.6 269,-3.2 -2,-0.5 2,-0.5 -0.885 7.7-166.3-111.2 104.2 32.1 41.1 51.0 7 7 A V E -a 275 0A 66 -2,-0.7 269,-0.2 267,-0.2 2,-0.1 -0.777 25.1-118.7 -93.2 125.5 35.7 40.2 50.6 8 8 A A - 0 0 11 267,-2.8 2,-0.5 -2,-0.5 122,-0.2 -0.390 29.6-167.8 -61.6 131.9 36.5 36.5 50.7 9 9 A S - 0 0 75 120,-2.7 120,-0.2 -2,-0.1 3,-0.1 -0.947 21.5-125.4-128.7 109.5 38.8 35.7 53.6 10 10 A V - 0 0 51 -2,-0.5 3,-0.2 118,-0.2 5,-0.0 -0.253 37.9 -98.2 -54.2 130.7 40.5 32.2 53.6 11 11 A E > - 0 0 21 1,-0.2 3,-2.5 2,-0.1 -1,-0.1 -0.316 60.5 -83.5 -52.5 125.6 39.8 30.4 56.8 12 12 A K T 3 S- 0 0 196 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 -0.012 107.0 -7.4 -38.8 117.4 42.9 30.9 58.9 13 13 A G T 3 S+ 0 0 74 1,-0.2 2,-0.3 -3,-0.2 -1,-0.3 0.605 99.3 135.7 69.7 14.2 45.6 28.4 58.0 14 14 A R < + 0 0 86 -3,-2.5 2,-0.2 87,-0.1 -1,-0.2 -0.732 27.3 177.6 -98.3 145.0 43.4 26.4 55.7 15 15 A S >> - 0 0 60 -2,-0.3 4,-1.5 -3,-0.1 3,-0.8 -0.750 49.7 -78.0-132.7 179.0 44.5 25.1 52.3 16 16 A Y H 3> S+ 0 0 82 1,-0.3 4,-2.3 -2,-0.2 5,-0.3 0.888 125.7 58.8 -45.9 -48.6 43.1 22.9 49.5 17 17 A E H 3> S+ 0 0 118 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.883 102.6 53.0 -50.6 -45.4 43.9 19.7 51.4 18 18 A D H <> S+ 0 0 27 -3,-0.8 4,-1.3 1,-0.2 -1,-0.2 0.920 112.0 44.7 -58.7 -45.4 41.6 20.9 54.3 19 19 A F H X S+ 0 0 0 -4,-1.5 4,-2.7 1,-0.2 -1,-0.2 0.819 107.2 57.2 -71.7 -30.9 38.7 21.5 52.0 20 20 A Q H X S+ 0 0 14 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.855 105.4 54.0 -66.4 -32.2 39.2 18.2 50.1 21 21 A K H X S+ 0 0 106 -4,-1.6 4,-2.0 -5,-0.3 -1,-0.2 0.888 108.9 47.0 -66.9 -39.2 38.8 16.5 53.5 22 22 A V H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.922 111.8 50.9 -66.8 -44.8 35.5 18.3 54.0 23 23 A Y H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.951 110.1 50.3 -55.5 -50.3 34.4 17.4 50.5 24 24 A N H X S+ 0 0 23 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.879 108.1 52.3 -57.8 -40.1 35.3 13.8 51.3 25 25 A A H X S+ 0 0 12 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.935 112.6 45.1 -62.3 -45.7 33.3 13.8 54.6 26 26 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.946 114.7 48.5 -61.6 -48.6 30.3 15.1 52.7 27 27 A A H X S+ 0 0 2 -4,-3.1 4,-1.5 1,-0.2 -2,-0.2 0.853 111.0 50.4 -61.0 -38.1 30.8 12.5 49.9 28 28 A L H X S+ 0 0 80 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.886 111.2 47.9 -69.5 -37.9 31.2 9.7 52.4 29 29 A K H X S+ 0 0 47 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.856 107.3 56.6 -70.9 -33.8 28.0 10.6 54.3 30 30 A L H < S+ 0 0 22 -4,-2.3 12,-0.3 1,-0.2 -1,-0.2 0.895 110.4 45.4 -61.9 -38.1 26.2 10.9 50.9 31 31 A R H < S+ 0 0 133 -4,-1.5 3,-0.3 -5,-0.2 -2,-0.2 0.894 115.4 47.6 -70.5 -40.7 27.2 7.3 50.3 32 32 A E H < S+ 0 0 134 -4,-2.1 2,-1.8 1,-0.2 3,-0.2 0.910 103.8 56.9 -68.7 -48.5 26.3 6.2 53.8 33 33 A D >< + 0 0 45 -4,-2.9 3,-0.6 1,-0.2 9,-0.4 -0.420 67.5 146.2 -86.2 63.0 22.8 7.7 54.2 34 34 A D T 3 + 0 0 74 -2,-1.8 -1,-0.2 -3,-0.3 -2,-0.1 0.631 56.1 63.5 -74.6 -19.3 21.5 5.9 51.1 35 35 A E T 3> + 0 0 122 -3,-0.2 4,-2.1 4,-0.1 3,-0.5 0.678 69.9 123.8 -83.2 -18.3 17.9 5.4 52.2 36 36 A Y H <>>S+ 0 0 44 -3,-0.6 5,-2.6 1,-0.2 4,-1.0 -0.107 80.4 4.7 -48.3 135.6 16.9 9.0 52.5 37 37 A D H >45S- 0 0 36 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.936 140.2 -46.3 52.6 57.7 13.8 10.0 50.4 38 38 A N H 345S- 0 0 146 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.914 113.2 -51.2 51.7 49.3 13.0 6.4 49.2 39 39 A Y H 3<5S+ 0 0 144 -4,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.598 109.0 117.6 66.2 18.3 16.6 5.8 48.3 40 40 A I T <<5 - 0 0 18 -3,-1.1 3,-0.3 -4,-1.0 -3,-0.2 0.858 67.9-145.5 -76.7 -34.1 17.2 8.9 46.2 41 41 A G < - 0 0 10 -5,-2.6 4,-0.4 1,-0.2 -7,-0.1 -0.183 26.4 -72.0 90.9 170.1 19.8 10.0 48.8 42 42 A Y S > S+ 0 0 39 -9,-0.4 4,-1.7 -12,-0.3 5,-0.2 0.436 102.4 97.2 -81.7 -2.6 20.7 13.5 50.0 43 43 A G H > S+ 0 0 5 -3,-0.3 4,-1.7 1,-0.2 3,-0.3 0.943 83.9 45.1 -53.0 -56.2 22.4 14.6 46.8 44 44 A P H > S+ 0 0 14 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.922 112.4 49.3 -56.4 -49.1 19.5 16.5 45.3 45 45 A V H > S+ 0 0 17 -4,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.818 109.2 54.2 -64.4 -27.1 18.4 18.3 48.5 46 46 A L H X S+ 0 0 2 -4,-1.7 4,-2.0 -3,-0.3 -1,-0.2 0.874 109.1 47.5 -72.3 -36.3 22.0 19.4 49.0 47 47 A V H X S+ 0 0 6 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.923 112.3 50.4 -68.5 -42.8 22.1 20.9 45.5 48 48 A R H X S+ 0 0 74 -4,-2.6 4,-3.2 1,-0.2 -2,-0.2 0.921 109.3 51.3 -59.6 -44.3 18.8 22.6 46.2 49 49 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.906 109.5 49.6 -59.9 -43.5 20.1 24.0 49.5 50 50 A A H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.918 115.3 44.2 -62.6 -43.0 23.1 25.4 47.7 51 51 A W H X S+ 0 0 54 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.927 113.8 49.7 -67.7 -45.0 21.0 27.0 45.1 52 52 A Y H < S+ 0 0 8 -4,-3.2 4,-0.4 2,-0.2 -2,-0.2 0.932 111.9 46.0 -61.7 -49.7 18.4 28.4 47.5 53 53 A T H >< S+ 0 0 2 -4,-2.5 3,-0.9 1,-0.2 12,-0.6 0.910 118.9 42.1 -62.2 -41.2 20.8 30.0 49.9 54 54 A S H >< S+ 0 0 1 -4,-1.7 3,-1.8 -5,-0.3 -1,-0.2 0.844 105.6 66.0 -72.9 -32.1 22.8 31.6 47.0 55 55 A G T 3< S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.524 81.8 76.9 -67.1 -6.8 19.5 32.5 45.3 56 56 A T T < S+ 0 0 2 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.1 0.592 73.6 116.9 -78.0 -10.4 18.6 34.9 48.1 57 57 A W < - 0 0 21 -3,-1.8 2,-0.4 7,-0.2 7,-0.2 -0.205 49.7-161.9 -62.2 146.4 21.1 37.3 46.5 58 58 A D B >>> -B 63 0B 30 5,-1.8 4,-1.5 1,-0.1 3,-0.9 -0.956 8.7-157.8-132.2 110.6 20.1 40.7 45.1 59 59 A K T 345S+ 0 0 90 101,-2.1 -1,-0.1 -2,-0.4 102,-0.1 0.754 86.7 69.1 -59.7 -25.5 22.5 42.4 42.7 60 60 A H T 345S+ 0 0 137 1,-0.2 -1,-0.2 100,-0.2 100,-0.0 0.864 123.7 5.3 -65.0 -38.0 21.0 45.8 43.4 61 61 A D T <45S- 0 0 59 -3,-0.9 -57,-0.7 2,-0.1 -1,-0.2 0.243 96.3-118.8-130.0 10.5 22.2 46.1 47.0 62 62 A N T <5 + 0 0 25 -4,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.816 62.0 148.9 52.3 37.6 24.4 43.0 47.4 63 63 A T B < +B 58 0B 42 -5,-0.8 -5,-1.8 -7,-0.1 -1,-0.2 -0.697 50.0 9.0 -96.2 152.2 22.2 41.6 50.2 64 64 A G S S+ 0 0 11 -2,-0.3 3,-0.2 -7,-0.2 -7,-0.2 -0.345 72.2 121.9 77.5-161.4 21.8 37.8 50.6 65 65 A G S S- 0 0 3 -12,-0.6 4,-0.4 1,-0.2 3,-0.2 -0.340 80.6 -64.4 93.0-179.8 23.8 35.3 48.6 66 66 A S S S+ 0 0 1 206,-0.4 3,-0.5 203,-0.3 -1,-0.2 0.703 108.4 88.5 -80.1 -21.7 26.1 32.6 50.0 67 67 A Y S S+ 0 0 23 205,-0.4 38,-0.3 -3,-0.2 64,-0.2 0.872 90.5 37.8 -44.6 -60.8 28.6 34.9 51.7 68 68 A G S S- 0 0 11 -4,-0.2 65,-1.8 -3,-0.2 -1,-0.2 0.732 81.4-152.8 -70.0 -25.2 27.2 35.3 55.1 69 69 A G + 0 0 8 -3,-0.5 2,-0.5 -4,-0.4 63,-0.1 0.703 58.5 117.5 59.1 19.3 25.8 31.8 55.6 70 70 A T + 0 0 29 66,-0.2 68,-1.9 63,-0.1 2,-0.3 -0.956 37.7 163.3-125.0 116.2 23.2 33.3 57.9 71 71 A Y E -c 138 0C 34 -2,-0.5 2,-0.5 66,-0.2 66,-0.1 -0.867 34.9-145.6-132.5 164.1 19.5 33.1 57.1 72 72 A R E -c 139 0C 132 66,-1.6 68,-1.9 -2,-0.3 2,-0.5 -0.939 26.8-150.9-127.6 101.5 16.0 33.4 58.5 73 73 A F > - 0 0 22 -2,-0.5 3,-2.1 66,-0.2 5,-0.2 -0.658 24.0-107.0 -84.6 126.4 13.7 31.0 56.9 74 74 A K G > S- 0 0 80 -2,-0.5 3,-1.1 1,-0.3 4,-0.3 -0.166 99.0 -4.6 -49.3 129.2 10.0 31.9 56.6 75 75 A K G > S- 0 0 116 1,-0.2 3,-1.7 2,-0.2 -1,-0.3 0.736 118.3 -78.9 55.2 26.7 7.8 29.9 59.0 76 76 A E G < S- 0 0 148 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.913 95.4 -44.9 49.0 50.2 10.8 27.8 60.1 77 77 A F G < S+ 0 0 47 -3,-1.1 -1,-0.3 1,-0.1 7,-0.3 0.516 115.1 115.8 73.9 6.8 10.6 25.7 57.0 78 78 A N < + 0 0 120 -3,-1.7 -1,-0.1 -4,-0.3 -3,-0.1 -0.231 54.9 91.9 -99.0 43.8 6.8 25.3 57.3 79 79 A D S >> S- 0 0 22 -5,-0.2 4,-2.4 -2,-0.1 3,-0.8 -0.981 83.9-121.6-134.6 145.2 6.2 27.2 54.1 80 80 A P T 34 S+ 0 0 81 0, 0.0 -1,-0.0 0, 0.0 104,-0.0 0.724 110.1 62.0 -60.1 -17.8 5.8 25.8 50.5 81 81 A S T 34 S+ 0 0 46 1,-0.1 104,-0.1 -7,-0.0 103,-0.0 0.862 123.1 12.1 -75.9 -36.8 8.8 28.0 49.5 82 82 A N T X4 S+ 0 0 0 -3,-0.8 3,-2.1 -8,-0.2 4,-0.3 0.427 85.0 133.9-122.8 -2.3 11.4 26.4 51.7 83 83 A A T 3< S+ 0 0 8 -4,-2.4 -5,-0.1 101,-0.4 -6,-0.1 -0.294 74.1 28.4 -54.8 127.5 9.8 23.2 53.1 84 84 A G T >> S+ 0 0 1 -7,-0.3 3,-1.7 100,-0.1 4,-0.5 -0.022 88.8 99.4 110.9 -29.4 12.3 20.3 52.8 85 85 A L H X> + 0 0 0 -3,-2.1 4,-1.7 1,-0.3 3,-0.9 0.772 68.6 73.3 -61.9 -25.3 15.5 22.4 53.1 86 86 A Q H 3> S+ 0 0 49 -4,-0.3 4,-2.4 1,-0.3 -1,-0.3 0.786 88.0 63.7 -60.9 -24.1 15.8 21.5 56.8 87 87 A N H <> S+ 0 0 35 -3,-1.7 4,-1.9 2,-0.2 -1,-0.3 0.888 102.3 48.0 -66.7 -37.4 16.8 18.0 55.6 88 88 A G H S+ 0 0 59 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.844 110.9 53.9 -58.2 -33.5 27.5 16.5 61.6 95 95 A I H > S+ 0 0 6 -4,-0.5 4,-1.9 -3,-0.3 -2,-0.2 0.921 107.4 49.4 -67.1 -43.0 29.9 17.7 58.9 96 96 A H H < S+ 0 0 48 -4,-2.4 -1,-0.2 1,-0.2 6,-0.2 0.830 108.7 54.2 -65.8 -31.9 30.2 21.1 60.5 97 97 A K H < S+ 0 0 175 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.877 109.1 47.1 -69.7 -37.5 30.9 19.5 63.9 98 98 A E H < S+ 0 0 130 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.826 126.2 30.7 -72.3 -31.7 33.8 17.4 62.5 99 99 A F >< + 0 0 20 -4,-1.9 3,-1.4 -5,-0.1 -1,-0.3 -0.632 69.8 165.3-126.7 72.5 35.2 20.6 60.8 100 100 A P T 3 + 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.715 68.7 69.2 -60.9 -21.5 34.2 23.5 63.1 101 101 A W T 3 S+ 0 0 58 -3,-0.1 2,-0.2 -4,-0.1 -89,-0.1 0.685 77.1 94.7 -73.0 -20.6 36.6 25.8 61.3 102 102 A I S < S- 0 0 3 -3,-1.4 -3,-0.1 -6,-0.2 2,-0.0 -0.514 79.9-116.6 -77.1 140.1 34.8 26.0 58.0 103 103 A S > - 0 0 13 27,-0.2 4,-2.2 -2,-0.2 5,-0.1 -0.327 20.4-118.3 -70.4 157.9 32.4 28.9 57.5 104 104 A S H > S+ 0 0 17 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.897 114.4 51.6 -64.5 -40.9 28.6 28.2 57.1 105 105 A G H > S+ 0 0 0 -38,-0.3 4,-2.2 1,-0.2 5,-0.3 0.911 110.0 48.8 -62.8 -43.3 28.6 29.7 53.7 106 106 A D H > S+ 0 0 0 24,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.916 113.5 47.9 -63.0 -41.5 31.5 27.6 52.5 107 107 A L H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.940 111.5 48.2 -65.3 -48.0 29.8 24.5 53.9 108 108 A F H X S+ 0 0 23 -4,-2.9 4,-1.2 1,-0.2 -2,-0.2 0.933 118.0 40.7 -59.2 -47.6 26.4 25.1 52.3 109 109 A S H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 3,-0.3 0.907 113.0 53.6 -69.3 -40.5 27.9 25.9 48.9 110 110 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 -5,-0.3 5,-0.2 0.834 102.3 60.7 -63.2 -31.0 30.5 23.1 49.1 111 111 A G H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.910 106.0 46.5 -61.7 -41.0 27.6 20.7 49.9 112 112 A G H X S+ 0 0 0 -4,-1.2 4,-2.3 -3,-0.3 -2,-0.2 0.923 113.6 47.4 -66.7 -45.6 26.1 21.6 46.5 113 113 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.931 112.8 49.3 -61.3 -46.6 29.4 21.2 44.7 114 114 A T H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 5,-0.3 0.931 110.5 50.6 -59.6 -46.6 30.1 17.9 46.3 115 115 A A H X S+ 0 0 0 -4,-2.3 4,-1.7 -5,-0.2 6,-0.2 0.924 109.8 49.8 -58.8 -47.1 26.6 16.5 45.6 116 116 A V H <>S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.2 82,-0.3 0.944 115.1 43.2 -58.5 -49.1 26.9 17.4 41.9 117 117 A Q H ><5S+ 0 0 6 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.911 112.3 50.9 -65.8 -43.5 30.3 15.8 41.4 118 118 A E H 3<5S+ 0 0 49 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.791 104.8 59.2 -65.9 -26.1 29.5 12.6 43.4 119 119 A M T 3<5S- 0 0 14 -4,-1.7 79,-3.2 -5,-0.3 -1,-0.3 0.085 128.8 -98.8 -88.8 23.3 26.4 12.2 41.3 120 120 A Q T < 5S+ 0 0 131 -3,-1.6 -3,-0.2 77,-0.2 -2,-0.2 0.662 79.7 139.2 70.4 20.9 28.6 12.1 38.2 121 121 A G < - 0 0 14 -5,-2.5 -1,-0.2 -6,-0.2 3,-0.1 -0.085 59.9 -64.7 -82.3-173.4 28.0 15.7 37.3 122 122 A P - 0 0 12 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.330 56.7 -96.9 -72.1 154.6 30.6 18.2 35.9 123 123 A K - 0 0 71 -3,-0.1 164,-0.1 -6,-0.1 162,-0.0 -0.533 40.0-155.5 -68.8 138.6 33.6 19.3 38.0 124 124 A I - 0 0 0 -2,-0.2 162,-0.3 162,-0.1 -7,-0.1 -0.941 12.2-131.6-122.5 109.4 32.6 22.6 39.6 125 125 A P - 0 0 28 0, 0.0 2,-0.4 0, 0.0 160,-0.2 -0.319 30.5-167.4 -57.1 140.5 35.5 25.0 40.6 126 126 A W B -D 284 0D 2 158,-2.5 158,-3.2 145,-0.0 2,-0.4 -0.995 11.0-155.6-136.6 140.6 34.8 26.2 44.1 127 127 A R - 0 0 52 -2,-0.4 3,-0.2 156,-0.2 2,-0.1 -0.931 8.8-145.3-119.4 140.4 36.5 29.0 46.2 128 128 A C + 0 0 8 -2,-0.4 -118,-0.2 1,-0.1 -120,-0.0 -0.363 59.2 90.2 -91.9 175.1 36.7 29.3 50.0 129 129 A G + 0 0 0 1,-0.3 -120,-2.7 -120,-0.2 -1,-0.1 0.398 40.1 145.2 119.9 -5.3 36.6 32.5 52.0 130 130 A R - 0 0 3 -122,-0.2 2,-0.5 -3,-0.2 -1,-0.3 -0.441 38.2-146.6 -64.7 140.4 32.9 33.1 52.8 131 131 A V - 0 0 55 -64,-0.2 -1,-0.1 -28,-0.1 -121,-0.0 -0.953 13.8-115.8-118.4 127.1 32.7 34.6 56.3 132 132 A D - 0 0 64 -2,-0.5 -63,-0.2 1,-0.1 -64,-0.1 -0.314 26.4-166.2 -57.5 133.2 29.8 34.0 58.7 133 133 A T > + 0 0 33 -65,-1.8 3,-1.6 3,-0.1 -1,-0.1 -0.593 9.9 176.9-123.9 69.8 27.9 37.2 59.4 134 134 A P T 3 S+ 0 0 89 0, 0.0 -64,-0.0 0, 0.0 -65,-0.0 -0.360 73.8 40.0 -66.3 159.8 25.7 36.7 62.5 135 135 A E T 3 S+ 0 0 200 1,-0.0 2,-0.2 0, 0.0 -2,-0.0 0.272 109.2 71.5 82.4 -13.3 23.8 39.9 63.4 136 136 A D S < S+ 0 0 75 -3,-1.6 2,-0.2 -68,-0.1 -66,-0.2 -0.662 70.8 168.7-133.4 76.4 23.3 40.4 59.6 137 137 A T - 0 0 42 -2,-0.2 -66,-0.2 -68,-0.1 -68,-0.0 -0.600 28.7-139.7 -93.8 152.4 20.8 37.8 58.6 138 138 A T E -c 71 0C 17 -68,-1.9 -66,-1.6 -2,-0.2 2,-0.2 -0.936 13.0-146.1-113.7 112.6 19.0 37.4 55.3 139 139 A P E -c 72 0C 46 0, 0.0 -66,-0.2 0, 0.0 -69,-0.0 -0.538 7.4-144.7 -73.3 143.7 15.3 36.4 55.5 140 140 A D >> + 0 0 1 -68,-1.9 3,-2.8 -2,-0.2 4,-0.7 0.612 51.9 138.0 -84.8 -10.4 14.3 34.3 52.5 141 141 A N T 34 S- 0 0 83 -69,-0.5 -68,-0.0 1,-0.3 -69,-0.0 -0.060 84.5 -17.8 -41.1 116.1 10.8 35.8 52.4 142 142 A G T 34 S+ 0 0 78 1,-0.1 -1,-0.3 2,-0.0 4,-0.1 0.556 108.8 107.7 60.8 12.3 9.8 36.5 48.8 143 143 A R T <4 + 0 0 47 -3,-2.8 -2,-0.1 2,-0.1 -1,-0.1 0.697 65.0 65.9 -92.9 -20.2 13.4 36.2 47.5 144 144 A L S < S- 0 0 17 -4,-0.7 -88,-0.1 1,-0.1 -2,-0.0 -0.693 93.4 -90.6-100.2 156.8 13.2 32.9 45.7 145 145 A P - 0 0 45 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.268 28.9-124.5 -69.8 147.9 11.0 32.2 42.6 146 146 A D - 0 0 77 1,-0.1 3,-0.3 -4,-0.1 -65,-0.0 -0.622 11.3-145.0 -85.4 148.4 7.4 31.0 42.5 147 147 A A S S+ 0 0 22 -2,-0.2 87,-1.3 1,-0.2 2,-0.5 0.633 88.6 72.3 -89.8 -15.4 6.8 27.8 40.5 148 148 A D S S+ 0 0 91 85,-0.2 2,-0.2 84,-0.1 -1,-0.2 -0.256 83.4 97.7 -94.9 46.2 3.4 28.8 39.1 149 149 A K - 0 0 65 -2,-0.5 88,-0.2 -3,-0.3 2,-0.1 -0.730 64.7-115.9-126.9 176.2 4.8 31.4 36.7 150 150 A D > - 0 0 83 -2,-0.2 4,-2.2 86,-0.1 5,-0.1 -0.342 40.6 -85.1-104.4-173.9 5.7 31.8 33.0 151 151 A A H > S+ 0 0 9 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.874 123.9 55.5 -60.8 -41.9 8.8 32.5 31.0 152 152 A D H > S+ 0 0 106 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.906 109.6 48.0 -59.7 -40.1 8.6 36.3 31.3 153 153 A Y H > S+ 0 0 57 2,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.934 112.5 48.3 -64.4 -47.5 8.6 35.8 35.1 154 154 A V H X S+ 0 0 5 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.931 112.3 48.5 -59.2 -47.8 11.5 33.5 35.1 155 155 A R H X S+ 0 0 39 -4,-2.9 4,-0.7 1,-0.2 -2,-0.2 0.944 115.8 43.3 -59.3 -49.6 13.5 35.7 32.8 156 156 A T H >X S+ 0 0 92 -4,-2.4 3,-0.8 -5,-0.2 4,-0.6 0.913 111.5 54.9 -63.7 -43.7 12.9 38.8 34.9 157 157 A F H >< S+ 0 0 21 -4,-3.1 3,-1.7 1,-0.2 4,-0.4 0.950 107.0 48.9 -54.8 -53.6 13.4 36.9 38.2 158 158 A F H ><>S+ 0 0 10 -4,-2.4 5,-2.3 1,-0.3 3,-0.8 0.629 93.1 75.2 -65.6 -13.9 16.9 35.7 37.3 159 159 A Q H X<5S+ 0 0 99 -3,-0.8 3,-1.4 -4,-0.7 -1,-0.3 0.833 89.6 60.8 -66.2 -26.5 18.0 39.2 36.2 160 160 A R T <<5S+ 0 0 41 -3,-1.7 -101,-2.1 -4,-0.6 -1,-0.2 0.774 105.6 46.2 -69.2 -24.5 18.2 39.9 39.9 161 161 A L T < 5S- 0 0 0 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.238 119.3-114.9 -98.7 10.5 20.8 37.1 40.1 162 162 A N T < 5 + 0 0 84 -3,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.854 67.3 144.7 57.6 40.5 22.6 38.6 37.1 163 163 A M < - 0 0 7 -5,-2.3 -1,-0.2 -8,-0.1 -2,-0.1 -0.904 35.2-151.9-110.8 137.5 21.8 35.5 35.0 164 164 A N > - 0 0 86 -2,-0.4 4,-2.5 -5,-0.0 5,-0.2 -0.275 40.2 -81.5 -95.2-175.0 21.1 35.5 31.2 165 165 A D H > S+ 0 0 38 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.916 128.9 45.0 -54.0 -50.1 19.0 33.2 29.1 166 166 A R H > S+ 0 0 78 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.905 113.7 50.1 -63.3 -41.0 21.7 30.6 28.7 167 167 A E H > S+ 0 0 41 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.880 111.3 49.4 -65.1 -38.4 22.6 30.7 32.3 168 168 A V H X S+ 0 0 2 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.949 112.8 45.2 -65.4 -50.3 19.0 30.3 33.4 169 169 A V H X S+ 0 0 0 -4,-2.4 4,-0.6 1,-0.2 -2,-0.2 0.895 114.1 50.2 -62.6 -40.1 18.4 27.3 31.1 170 170 A A H >< S+ 0 0 0 -4,-2.4 3,-1.2 -5,-0.2 -1,-0.2 0.935 110.2 49.3 -64.6 -46.2 21.6 25.6 32.2 171 171 A L H >< S+ 0 0 16 -4,-2.3 3,-1.9 1,-0.3 -1,-0.2 0.892 103.4 60.5 -61.3 -38.3 20.9 26.1 35.9 172 172 A M H >< S+ 0 0 21 -4,-2.2 3,-2.2 1,-0.3 -1,-0.3 0.693 84.1 80.3 -63.7 -17.9 17.4 24.6 35.5 173 173 A G G X< S+ 0 0 0 -3,-1.2 3,-1.6 -4,-0.6 29,-0.3 0.668 72.2 80.1 -62.6 -15.3 19.0 21.4 34.3 174 174 A A G X S+ 0 0 19 -3,-1.9 3,-2.4 1,-0.3 -1,-0.3 0.690 70.8 81.2 -65.0 -17.2 19.6 20.6 37.9 175 175 A H G < + 0 0 50 -3,-2.2 16,-0.4 1,-0.3 -1,-0.3 0.480 66.7 83.6 -69.5 2.2 16.0 19.5 38.1 176 176 A A G < S+ 0 0 0 -3,-1.6 -1,-0.3 23,-0.2 2,-0.3 0.795 86.2 79.2 -69.7 -22.6 17.2 16.3 36.6 177 177 A L S < S- 0 0 7 -3,-2.4 19,-0.2 -4,-0.1 18,-0.1 -0.614 98.6 -26.5 -91.9 143.0 17.9 15.7 40.3 178 178 A G S S- 0 0 3 17,-2.7 13,-0.6 -2,-0.3 14,-0.4 -0.247 73.7-101.6 64.4-144.6 15.5 14.7 43.0 179 179 A K E -E 190 0E 43 11,-0.2 2,-0.3 12,-0.1 -3,-0.0 -0.982 23.3 -91.6-168.9 170.7 11.8 15.5 42.9 180 180 A T E -E 189 0E 10 9,-2.4 9,-2.1 -2,-0.3 2,-0.5 -0.756 35.4-149.3 -93.9 145.3 9.0 17.7 44.2 181 181 A H >>> - 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