==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE(H2O2(A)) 04-MAY-94 1CCG . COMPND 2 MOLECULE: CYTOCHROME C PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR D.E.MCREE,G.M.JENSEN,M.M.FITZGERALD,H.A.SIEGEL,D.B.GOODIN . 291 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12898.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 65.3 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 . 16 5.5 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 . 10 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 15.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 36.1 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 3 1 0 0 2 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 . 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 . 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 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 0 128 0, 0.0 2,-0.4 0, 0.0 269,-0.0 0.000 360.0 360.0 360.0 132.9 12.2 78.1 113.7 2 5 A V - 0 0 109 2,-0.0 2,-0.5 269,-0.0 269,-0.1 -0.942 360.0-166.5-110.2 139.4 13.8 77.3 110.3 3 6 A H - 0 0 29 -2,-0.4 269,-2.9 267,-0.1 2,-0.3 -0.887 8.8-162.1-126.1 97.4 14.7 73.6 109.8 4 7 A V B -a 272 0A 74 -2,-0.5 2,-0.5 267,-0.2 269,-0.2 -0.640 22.0-117.7 -86.5 134.4 16.9 73.2 106.8 5 8 A A - 0 0 11 267,-2.8 2,-0.6 -2,-0.3 122,-0.2 -0.616 30.4-169.4 -71.4 121.3 17.2 69.8 105.2 6 9 A S - 0 0 74 120,-2.3 120,-0.2 -2,-0.5 3,-0.1 -0.908 19.5-129.0-116.5 113.1 20.8 68.4 105.4 7 10 A V - 0 0 48 -2,-0.6 2,-0.1 118,-0.1 3,-0.1 -0.236 36.1 -99.1 -56.2 137.0 21.6 65.3 103.4 8 11 A E > - 0 0 21 1,-0.1 3,-2.4 2,-0.1 -1,-0.1 -0.416 60.1 -90.6 -58.7 123.1 23.4 62.5 105.5 9 12 A K T 3 S+ 0 0 173 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 -0.159 102.6 0.5 -53.9 116.6 26.9 63.1 104.6 10 13 A G T 3 S+ 0 0 77 1,-0.2 -1,-0.3 -3,-0.1 2,-0.3 0.302 95.9 130.0 96.4 -6.3 28.1 61.2 101.6 11 14 A R < + 0 0 86 -3,-2.4 -1,-0.2 87,-0.1 2,-0.2 -0.531 29.2 178.7 -94.3 142.4 24.8 59.3 100.8 12 15 A S >> - 0 0 51 -2,-0.3 4,-1.3 -5,-0.0 3,-0.7 -0.605 50.5 -72.7-117.6-171.1 23.1 59.1 97.4 13 16 A Y H 3> S+ 0 0 65 1,-0.2 4,-2.7 -2,-0.2 5,-0.2 0.898 125.9 57.4 -50.7 -45.9 20.0 57.4 96.0 14 17 A E H 3> S+ 0 0 111 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.848 101.9 55.2 -61.8 -31.2 21.5 53.9 96.2 15 18 A D H <> S+ 0 0 25 -3,-0.7 4,-1.2 2,-0.2 -1,-0.2 0.961 111.6 43.1 -65.4 -46.6 22.1 54.2 99.9 16 19 A F H X S+ 0 0 0 -4,-1.3 4,-2.5 1,-0.2 3,-0.4 0.908 107.8 59.4 -66.5 -40.2 18.5 55.0 100.6 17 20 A Q H X S+ 0 0 14 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.883 103.6 53.4 -59.1 -32.6 17.2 52.3 98.2 18 21 A K H X S+ 0 0 107 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.849 107.7 49.1 -66.0 -36.7 19.1 49.8 100.4 19 22 A V H X S+ 0 0 0 -4,-1.2 4,-2.3 -3,-0.4 -2,-0.2 0.928 112.7 48.9 -69.2 -38.5 17.3 51.0 103.5 20 23 A Y H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.976 111.3 48.8 -61.0 -62.2 14.0 50.7 101.6 21 24 A N H X S+ 0 0 23 -4,-2.8 4,-2.3 1,-0.2 5,-0.3 0.893 110.3 52.5 -44.8 -43.2 14.9 47.1 100.4 22 25 A A H X S+ 0 0 18 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.962 113.0 42.9 -61.0 -50.0 15.8 46.2 104.0 23 26 A I H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.934 115.3 49.6 -58.0 -48.3 12.4 47.5 105.4 24 27 A A H X S+ 0 0 1 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.926 109.7 50.4 -63.9 -38.1 10.4 45.9 102.5 25 28 A L H X S+ 0 0 68 -4,-2.3 4,-2.3 1,-0.3 -1,-0.2 0.883 111.0 49.2 -68.9 -37.0 12.2 42.4 102.9 26 29 A K H X S+ 0 0 38 -4,-1.8 4,-2.5 -5,-0.3 -1,-0.3 0.822 106.9 55.6 -74.0 -23.0 11.4 42.5 106.6 27 30 A L H < S+ 0 0 23 -4,-1.7 12,-0.3 2,-0.2 -2,-0.2 0.954 110.2 47.3 -67.1 -46.4 7.7 43.4 105.8 28 31 A R H >< S+ 0 0 126 -4,-2.3 3,-0.7 1,-0.2 -2,-0.2 0.914 115.9 43.8 -55.3 -48.7 7.6 40.3 103.7 29 32 A E H 3< S+ 0 0 129 -4,-2.3 2,-0.9 1,-0.2 3,-0.3 0.932 109.2 53.1 -70.0 -44.1 9.2 38.1 106.4 30 33 A D T >< + 0 0 31 -4,-2.5 3,-1.1 1,-0.2 9,-0.3 -0.075 68.0 137.1 -89.4 49.1 7.3 39.3 109.5 31 34 A D T < + 0 0 93 -2,-0.9 -1,-0.2 -3,-0.7 7,-0.1 0.619 52.6 74.0 -71.6 -9.0 3.9 38.6 107.9 32 35 A E T 3> + 0 0 84 -3,-0.3 4,-2.4 4,-0.1 5,-0.2 0.783 67.1 119.6 -77.0 -23.1 2.2 37.0 110.9 33 36 A Y H <>>S+ 0 0 44 -3,-1.1 5,-2.9 2,-0.2 4,-1.2 -0.089 79.4 5.9 -55.0 139.7 1.8 40.3 113.0 34 37 A D H >45S- 0 0 43 1,-0.2 3,-1.1 3,-0.2 -1,-0.2 0.972 140.9 -44.4 51.0 64.0 -1.7 41.4 114.1 35 38 A N H 345S- 0 0 148 1,-0.2 -2,-0.2 -3,-0.2 -1,-0.2 0.866 113.5 -51.4 47.3 46.8 -3.5 38.2 112.7 36 39 A Y H 3<5S+ 0 0 160 -4,-2.4 -1,-0.2 -6,-0.1 -3,-0.2 0.731 109.0 117.4 64.8 24.4 -1.5 38.2 109.5 37 40 A I T <<5 - 0 0 17 -4,-1.2 3,-0.2 -3,-1.1 -3,-0.2 0.839 68.3-146.1 -78.7 -31.7 -2.2 41.8 108.5 38 41 A G < - 0 0 9 -5,-2.9 4,-0.4 1,-0.1 -7,-0.1 -0.240 26.4 -71.3 88.6 171.2 1.6 42.4 108.8 39 42 A Y S > S+ 0 0 35 -9,-0.3 4,-1.5 -12,-0.3 -1,-0.1 0.580 103.6 93.9 -81.8 -7.4 3.5 45.6 109.9 40 43 A G H > S+ 0 0 5 -3,-0.2 4,-2.0 1,-0.2 3,-0.3 0.899 83.2 49.3 -53.5 -49.4 2.7 47.8 107.0 41 44 A P H > S+ 0 0 16 0, 0.0 4,-2.6 0, 0.0 3,-0.4 0.963 111.1 48.4 -60.2 -46.9 -0.4 49.5 108.4 42 45 A V H > S+ 0 0 18 -4,-0.4 4,-2.1 1,-0.3 -2,-0.2 0.808 110.6 54.9 -67.5 -20.5 1.2 50.5 111.8 43 46 A L H X S+ 0 0 1 -4,-1.5 4,-1.8 -3,-0.3 66,-0.3 0.832 108.3 44.8 -81.0 -35.0 4.2 51.8 109.8 44 47 A V H X S+ 0 0 9 -4,-2.0 4,-1.8 -3,-0.4 5,-0.2 0.921 113.6 52.3 -77.4 -27.4 2.1 54.2 107.7 45 48 A R H X S+ 0 0 76 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.936 108.8 51.2 -65.4 -41.6 0.3 55.2 111.0 46 49 A L H X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.2 5,-0.3 0.939 108.2 50.1 -59.9 -45.1 3.7 55.9 112.6 47 50 A A H X S+ 0 0 0 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.876 112.0 48.5 -62.0 -35.9 4.9 58.1 109.8 48 51 A W H X S+ 0 0 53 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.943 111.6 50.7 -71.2 -44.2 1.6 60.1 110.0 49 52 A H H < S+ 0 0 14 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.790 108.9 47.9 -65.9 -31.7 1.9 60.5 113.8 50 53 A I H < S+ 0 0 3 -4,-1.9 12,-0.3 -5,-0.2 3,-0.3 0.799 120.5 41.9 -76.0 -25.2 5.5 61.8 113.8 51 54 A S H >< S+ 0 0 0 -4,-1.2 3,-1.3 -5,-0.3 12,-0.2 0.775 102.9 65.4 -82.1 -30.5 4.4 64.3 111.0 52 55 A G T 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -3,-0.1 0.383 81.7 77.1 -81.6 -1.8 1.0 65.3 112.4 53 56 A T T 3 S+ 0 0 4 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.457 72.4 123.4 -82.2 -1.9 2.4 67.0 115.5 54 57 A W < - 0 0 23 -3,-1.3 2,-0.5 7,-0.2 7,-0.2 -0.338 47.5-159.2 -65.4 138.6 3.4 70.0 113.2 55 58 A D B >>> -B 60 0B 28 5,-2.5 4,-1.3 1,-0.1 3,-1.3 -0.875 6.4-159.2-116.4 110.6 2.2 73.5 113.9 56 59 A K T 345S+ 0 0 76 101,-2.4 -1,-0.1 -2,-0.5 102,-0.1 0.610 86.4 63.7 -57.4 -13.0 2.3 75.9 110.9 57 60 A H T 345S+ 0 0 143 100,-0.2 -1,-0.2 1,-0.1 100,-0.0 0.824 123.4 9.4 -88.1 -30.2 2.3 79.0 113.2 58 61 A D T <45S- 0 0 80 -3,-1.3 -2,-0.2 2,-0.1 -1,-0.1 0.217 96.6-119.1-129.0 9.2 5.6 78.5 115.0 59 62 A N T <5 + 0 0 26 -4,-1.3 2,-0.2 1,-0.2 -3,-0.2 0.718 63.4 143.8 57.9 21.2 7.2 75.6 113.0 60 63 A T B < +B 55 0B 38 -5,-0.6 -5,-2.5 -7,-0.0 -1,-0.2 -0.552 49.5 11.5 -83.8 161.4 7.4 73.3 116.0 61 64 A G S S+ 0 0 14 73,-0.4 -7,-0.2 -7,-0.2 3,-0.2 -0.191 72.8 117.3 65.4-160.9 6.7 69.5 115.8 62 65 A G S S- 0 0 4 -12,-0.3 3,-0.3 -13,-0.2 5,-0.3 -0.252 81.4 -61.1 90.5 178.6 6.5 67.7 112.4 63 66 A S S > S+ 0 0 2 206,-0.4 3,-1.4 203,-0.3 -1,-0.2 0.759 105.8 88.3 -74.6 -19.7 8.8 64.9 111.0 64 67 A Y T 3 S+ 0 0 22 205,-0.4 38,-0.3 1,-0.3 64,-0.2 0.834 87.4 41.0 -47.7 -52.1 12.2 66.7 110.9 65 68 A G T 3 S- 0 0 6 -3,-0.3 65,-1.7 64,-0.1 -1,-0.3 0.407 90.5-132.4 -90.8 1.2 13.7 66.2 114.3 66 69 A G X + 0 0 2 -3,-1.4 3,-1.4 63,-0.2 4,-0.2 0.794 46.7 158.5 54.6 30.8 12.8 62.5 114.9 67 70 A T G > + 0 0 6 -5,-0.3 3,-1.6 1,-0.3 6,-0.4 0.588 49.8 85.3 -66.9 -10.4 11.6 63.4 118.4 68 71 A Y G 3 S+ 0 0 1 1,-0.3 -1,-0.3 5,-0.1 6,-0.1 0.827 78.0 70.3 -58.2 -29.2 9.4 60.2 118.8 69 72 A R G < S+ 0 0 74 -3,-1.4 -1,-0.3 4,-0.1 2,-0.2 0.812 86.0 89.3 -59.2 -26.3 12.5 58.5 120.0 70 73 A F S X> S- 0 0 28 -3,-1.6 4,-2.6 -4,-0.2 3,-0.5 -0.538 87.4-121.2 -79.7 143.9 12.2 60.6 123.1 71 74 A K H 3> S+ 0 0 136 -2,-0.2 4,-2.5 1,-0.2 -1,-0.1 0.787 105.9 57.3 -46.9 -48.8 10.1 59.5 126.1 72 75 A K H 34 S+ 0 0 84 1,-0.2 -1,-0.2 2,-0.2 -4,-0.1 0.923 117.8 33.1 -57.3 -47.7 7.6 62.4 126.2 73 76 A E H X4 S+ 0 0 3 -3,-0.5 3,-1.0 -6,-0.4 -2,-0.2 0.816 116.3 56.4 -76.5 -34.0 6.4 61.8 122.6 74 77 A F H 3< S+ 0 0 42 -4,-2.6 -2,-0.2 -7,-0.3 -3,-0.2 0.885 111.1 44.2 -65.2 -39.9 6.9 58.0 122.7 75 78 A N T 3< S+ 0 0 105 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.206 80.2 133.4 -89.7 10.9 4.6 57.7 125.8 76 79 A D X - 0 0 9 -3,-1.0 3,-2.6 1,-0.1 4,-0.2 -0.498 61.2-131.4 -57.2 125.8 1.9 60.1 124.4 77 80 A P G > S+ 0 0 96 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.915 107.9 57.4 -48.7 -43.0 -1.6 58.4 124.9 78 81 A S G 3 S+ 0 0 48 1,-0.3 -2,-0.1 63,-0.1 -3,-0.0 0.585 101.4 57.3 -64.4 -13.9 -2.5 59.1 121.3 79 82 A N G X S+ 0 0 0 -3,-2.6 3,-2.1 -6,-0.1 4,-0.3 0.329 74.4 140.3 -97.6 4.4 0.6 57.1 120.2 80 83 A A T < + 0 0 28 -3,-2.1 101,-0.1 1,-0.3 -5,-0.1 -0.183 69.8 22.3 -49.2 125.1 -0.4 53.9 122.0 81 84 A G T > S+ 0 0 6 100,-0.1 3,-1.0 99,-0.1 4,-0.4 0.162 92.8 99.9 102.0 -21.8 0.4 50.8 119.9 82 85 A L T X> + 0 0 0 -3,-2.1 4,-2.2 1,-0.2 3,-0.8 0.694 59.9 84.2 -76.2 -11.4 3.1 52.5 117.7 83 86 A Q H 3> S+ 0 0 47 -4,-0.3 4,-2.7 1,-0.3 -1,-0.2 0.795 84.8 59.3 -61.9 -25.6 5.9 50.9 119.8 84 87 A N H <> S+ 0 0 57 -3,-1.0 4,-1.6 2,-0.2 -1,-0.3 0.859 104.9 47.9 -69.3 -38.6 5.6 47.8 117.7 85 88 A G H <> S+ 0 0 0 -3,-0.8 4,-1.5 -4,-0.4 -2,-0.2 0.928 112.2 50.8 -68.9 -37.4 6.4 49.9 114.6 86 89 A F H >X S+ 0 0 47 -4,-2.2 4,-2.1 1,-0.2 3,-0.7 0.965 110.0 48.1 -62.0 -53.5 9.4 51.3 116.4 87 90 A K H 3< S+ 0 0 112 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.794 108.3 56.5 -59.2 -30.3 10.7 47.9 117.5 88 91 A F H 3< S+ 0 0 4 -4,-1.6 4,-0.3 1,-0.2 -1,-0.3 0.850 112.9 40.6 -63.6 -41.3 10.3 46.7 113.8 89 92 A L H XX S+ 0 0 1 -4,-1.5 4,-2.0 -3,-0.7 3,-1.0 0.795 93.6 82.1 -84.5 -28.0 12.5 49.5 112.6 90 93 A E H 3X S+ 0 0 78 -4,-2.1 4,-2.2 1,-0.3 5,-0.2 0.836 90.6 51.1 -48.0 -45.8 15.2 49.4 115.4 91 94 A P H 3> S+ 0 0 67 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.827 111.3 51.7 -54.8 -32.1 17.2 46.4 113.8 92 95 A I H <> S+ 0 0 5 -3,-1.0 4,-1.7 -4,-0.3 -2,-0.2 0.907 105.7 52.2 -76.8 -34.7 17.1 48.4 110.6 93 96 A H H >< S+ 0 0 46 -4,-2.0 3,-0.5 1,-0.2 6,-0.2 0.960 108.6 51.3 -68.4 -42.0 18.5 51.5 112.3 94 97 A K H 3< S+ 0 0 142 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.801 110.8 50.8 -60.0 -30.5 21.4 49.3 113.8 95 98 A E H 3< S+ 0 0 128 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.791 122.9 28.5 -73.9 -34.6 22.1 48.1 110.2 96 99 A F S X< S+ 0 0 20 -4,-1.7 3,-1.4 -3,-0.5 -1,-0.3 -0.686 71.1 168.2-123.4 77.4 22.2 51.6 108.7 97 100 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.706 70.2 67.5 -68.3 -19.3 23.4 53.8 111.7 98 101 A W T 3 S+ 0 0 58 -3,-0.1 2,-0.2 -5,-0.1 -89,-0.1 0.680 77.3 95.4 -72.2 -23.6 24.0 56.8 109.3 99 102 A I S < S- 0 0 4 -3,-1.4 -3,-0.1 -6,-0.2 2,-0.1 -0.533 78.9-121.8 -69.4 135.5 20.2 57.4 108.5 100 103 A S > - 0 0 15 -2,-0.2 4,-2.1 27,-0.2 5,-0.2 -0.416 20.0-115.6 -69.4 158.6 18.6 60.1 110.7 101 104 A S H > S+ 0 0 8 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.971 114.3 50.4 -54.8 -54.2 15.5 59.0 112.8 102 105 A G H > S+ 0 0 0 -38,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.859 111.8 49.0 -57.3 -38.3 13.0 61.3 111.0 103 106 A D H > S+ 0 0 0 24,-0.2 4,-2.0 -39,-0.2 -1,-0.2 0.913 113.8 45.4 -68.5 -38.6 14.2 60.0 107.7 104 107 A L H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.946 114.2 48.1 -65.7 -48.2 13.9 56.3 108.8 105 108 A F H X S+ 0 0 4 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.951 117.2 43.4 -58.0 -43.8 10.3 56.8 110.5 106 109 A S H X S+ 0 0 0 -4,-1.9 4,-1.6 -5,-0.3 -1,-0.2 0.859 111.1 52.1 -75.2 -34.0 9.2 58.6 107.4 107 110 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 5,-0.2 0.858 100.8 63.8 -73.4 -28.5 10.7 56.2 104.9 108 111 A G H X S+ 0 0 1 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.953 104.3 47.7 -52.0 -47.6 8.9 53.2 106.7 109 112 A G H X S+ 0 0 0 -4,-1.2 4,-2.2 -66,-0.3 5,-0.2 0.931 112.5 48.4 -61.2 -46.1 5.5 54.8 105.8 110 113 A V H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.907 113.6 46.2 -59.5 -46.0 6.6 55.2 102.1 111 114 A T H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.933 110.8 53.4 -63.1 -46.6 7.9 51.7 101.8 112 115 A A H X S+ 0 0 0 -4,-2.9 4,-2.1 -5,-0.2 6,-0.3 0.964 111.1 46.0 -52.5 -50.7 4.8 50.2 103.5 113 116 A V H <>S+ 0 0 0 -4,-2.2 5,-2.5 1,-0.2 -1,-0.2 0.899 115.2 44.9 -61.1 -50.2 2.5 52.0 101.0 114 117 A Q H ><5S+ 0 0 7 -4,-2.1 3,-1.0 -5,-0.2 -1,-0.2 0.899 113.4 49.0 -64.6 -40.3 4.4 51.0 97.9 115 118 A E H 3<5S+ 0 0 45 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.782 104.3 61.6 -71.0 -25.4 4.9 47.4 99.0 116 119 A M T 3<5S- 0 0 18 -4,-2.1 79,-2.8 -5,-0.2 -1,-0.2 0.021 129.2 -95.5 -86.6 30.8 1.2 47.1 99.8 117 120 A Q T < 5S+ 0 0 125 -3,-1.0 -3,-0.2 77,-0.2 -2,-0.1 0.655 82.1 140.5 66.7 20.7 0.4 47.9 96.1 118 121 A G < - 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0 0 33 -2,-0.7 3,-0.5 -26,-0.2 -23,-0.2 -0.899 69.4 -95.3-141.5 174.7 -7.1 50.4 97.5 197 200 A N S >> S+ 0 0 18 -2,-0.3 4,-1.5 1,-0.2 3,-1.2 0.263 82.0 122.4 -77.7 21.0 -10.1 53.0 97.5 198 201 A E H 3> + 0 0 26 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.815 59.1 65.3 -53.5 -40.7 -12.0 50.5 99.7 199 202 A F H 3> S+ 0 0 1 -3,-0.5 4,-2.2 -29,-0.4 -1,-0.3 0.861 106.4 43.7 -52.8 -37.8 -12.5 53.1 102.6 200 203 A Y H <> S+ 0 0 0 -3,-1.2 4,-2.5 2,-0.2 5,-0.3 0.921 111.7 50.9 -76.1 -45.2 -14.7 55.2 100.3 201 204 A L H X S+ 0 0 59 -4,-1.5 4,-3.0 2,-0.2 5,-0.3 0.966 113.8 46.8 -61.3 -44.6 -16.7 52.4 98.8 202 205 A N H X S+ 0 0 15 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.944 110.4 51.0 -63.5 -46.7 -17.5 51.1 102.3 203 206 A L H < S+ 0 0 2 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.944 120.0 36.6 -56.7 -43.6 -18.4 54.5 103.7 204 207 A L H < S+ 0 0 55 -4,-2.5 -2,-0.2 1,-0.1 -1,-0.2 0.869 123.7 39.9 -78.7 -31.0 -20.9 55.1 100.7 205 208 A N H < S+ 0 0 119 -4,-3.0 2,-0.2 -5,-0.3 -3,-0.2 0.671 93.6 85.5-100.9 -10.0 -22.2 51.5 100.3 206 209 A E S < S- 0 0 50 -4,-1.9 2,-1.2 -5,-0.3 16,-0.0 -0.555 74.0-123.7 -91.4 155.3 -22.7 50.0 103.8 207 210 A D - 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0 0 51 -34,-0.3 -4,-2.3 -4,-0.1 2,-0.3 -0.797 59.8-116.4-104.8 155.1 -17.1 55.0 122.9 218 221 A E E +E 212 0E 94 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.671 37.4 162.4 -91.8 143.9 -19.4 55.3 119.9 219 222 A Q E -E 211 0E 4 -8,-2.7 -8,-2.9 -2,-0.3 2,-0.6 -0.974 41.0-109.5-151.4 158.2 -18.6 54.0 116.5 220 223 A W E -EF 210 228E 47 8,-2.4 8,-1.8 -2,-0.3 2,-0.3 -0.809 37.7-168.0 -88.4 116.6 -20.5 53.2 113.4 221 224 A D E -EF 209 227E 34 -12,-2.5 -12,-3.1 -2,-0.6 2,-0.3 -0.848 4.7-154.9-108.1 136.9 -20.8 49.4 112.8 222 225 A S E > -E 208 0E 12 4,-2.5 3,-2.0 -2,-0.3 -14,-0.2 -0.839 29.7-113.6-109.8 163.4 -21.9 47.7 109.7 223 226 A K T 3 S+ 0 0 175 -16,-0.6 -1,-0.1 -2,-0.3 -15,-0.1 0.821 113.4 66.8 -56.3 -34.0 -23.5 44.2 109.2 224 227 A S T 3 S- 0 0 64 -17,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.562 120.8-104.5 -66.4 -8.8 -20.3 43.2 107.3 225 228 A G S < S+ 0 0 53 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.544 80.6 126.5 96.3 0.6 -18.2 43.5 110.4 226 229 A Y - 0 0 44 -40,-0.1 -4,-2.5 -38,-0.1 -1,-0.3 -0.532 41.2-154.0 -86.6 162.5 -16.6 46.8 109.4 227 230 A M E -F 221 0E 1 -40,-2.7 2,-0.3 -6,-0.2 -6,-0.2 -0.861 10.5-160.4-138.0 162.1 -16.4 50.0 111.4 228 231 A M E -F 220 0E 0 -8,-1.8 -8,-2.4 -2,-0.3 -40,-0.0 -0.984 21.8-129.4-140.1 133.7 -16.1 53.8 111.0 229 232 A L >> - 0 0 25 -2,-0.3 4,-2.7 -10,-0.2 3,-0.8 -0.584 33.2-106.2 -71.5 154.0 -15.0 56.3 113.6 230 233 A P H 3> S+ 0 0 22 0, 0.0 4,-2.7 0, 0.0 -85,-0.2 0.920 124.7 51.9 -45.9 -42.7 -17.2 59.5 114.3 231 234 A T H 3> S+ 0 0 15 -87,-2.0 4,-0.5 1,-0.2 -86,-0.1 0.848 111.1 47.0 -68.9 -26.5 -14.5 61.5 112.4 232 235 A D H X4 S+ 0 0 8 -3,-0.8 3,-1.2 -88,-0.2 4,-0.3 0.924 109.2 51.5 -76.2 -44.8 -14.7 59.1 109.5 233 236 A Y H >X S+ 0 0 44 -4,-2.7 3,-2.4 1,-0.2 4,-0.9 0.936 97.7 71.2 -60.9 -39.2 -18.4 59.1 109.3 234 237 A S H >X S+ 0 0 1 -4,-2.7 4,-2.0 -88,-0.3 3,-0.6 0.807 81.8 73.5 -36.6 -36.7 -18.3 63.0 109.3 235 238 A L H << S+ 0 0 0 -3,-1.2 10,-0.3 -4,-0.5 -1,-0.3 0.699 102.0 39.6 -64.0 -19.9 -16.9 62.8 105.7 236 239 A I H <4 S+ 0 0 40 -3,-2.4 -1,-0.3 -4,-0.3 -2,-0.2 0.589 110.3 60.1-100.5 -12.5 -20.3 61.9 104.4 237 240 A Q H << S+ 0 0 115 -4,-0.9 -2,-0.2 -3,-0.6 -3,-0.1 0.770 95.1 73.0 -77.4 -29.0 -22.2 64.3 106.8 238 241 A D S X S- 0 0 26 -4,-2.0 4,-2.8 1,-0.1 5,-0.2 -0.764 75.8-144.5 -89.5 129.9 -20.3 67.3 105.3 239 242 A P H > S+ 0 0 101 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.823 99.3 47.1 -61.7 -36.6 -21.4 68.4 101.7 240 243 A K H > S+ 0 0 113 2,-0.2 4,-1.1 1,-0.1 3,-0.1 0.937 116.0 42.7 -71.9 -46.1 -17.9 69.4 100.6 241 244 A Y H >> S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 3,-0.8 0.967 109.0 61.0 -63.5 -46.1 -16.1 66.2 101.9 242 245 A L H 3X S+ 0 0 45 -4,-2.8 4,-2.2 1,-0.3 -1,-0.2 0.843 101.1 51.4 -53.8 -37.7 -19.0 64.0 100.5 243 246 A S H 3X S+ 0 0 66 -4,-1.1 4,-1.4 -5,-0.2 -1,-0.3 0.915 112.0 46.9 -69.9 -34.5 -18.4 65.0 96.9 244 247 A I H S+ 0 0 62 -3,-0.2 4,-2.7 2,-0.2 5,-0.2 0.838 85.1 60.3 -56.2 -34.7 -9.1 54.9 92.5 253 256 A D H > S+ 0 0 118 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.953 104.9 46.8 -65.2 -41.7 -6.4 56.4 90.1 254 257 A K H > S+ 0 0 54 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.936 113.2 51.5 -62.0 -40.2 -7.5 59.9 91.0 255 258 A F H X S+ 0 0 0 -4,-2.0 4,-2.8 -7,-0.2 5,-0.3 0.931 109.7 47.7 -61.0 -46.4 -7.3 58.8 94.7 256 259 A F H X S+ 0 0 30 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.954 113.2 49.5 -60.1 -45.8 -3.8 57.3 94.2 257 260 A K H X S+ 0 0 105 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.942 116.9 40.0 -58.4 -48.4 -2.6 60.6 92.5 258 261 A D H X S+ 0 0 8 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.886 113.7 52.4 -73.3 -36.4 -4.0 62.8 95.3 259 262 A F H X S+ 0 0 1 -4,-2.8 4,-2.8 -5,-0.3 5,-0.3 0.909 109.2 52.7 -60.3 -43.2 -3.0 60.6 98.2 260 263 A S H X S+ 0 0 17 -4,-2.2 4,-2.0 -5,-0.3 5,-0.2 0.973 111.9 43.1 -56.5 -56.2 0.5 60.5 96.8 261 264 A K H X S+ 0 0 118 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.914 117.6 46.8 -61.1 -43.2 0.8 64.4 96.6 262 265 A A H X S+ 0 0 2 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.861 109.9 50.8 -70.6 -34.1 -0.8 64.8 100.1 263 266 A F H X S+ 0 0 5 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.939 109.9 49.7 -73.7 -41.9 1.2 62.2 102.0 264 267 A E H >X S+ 0 0 32 -4,-2.0 4,-2.4 -5,-0.3 3,-0.5 0.988 111.9 50.2 -54.5 -54.8 4.5 63.6 100.7 265 268 A K H 3X S+ 0 0 59 -4,-1.9 4,-1.3 1,-0.3 -2,-0.2 0.936 110.1 50.1 -51.5 -44.0 3.3 67.2 101.8 266 269 A L H 3< S+ 0 0 3 -4,-2.5 -203,-0.3 1,-0.2 -1,-0.3 0.888 113.2 45.5 -58.4 -41.8 2.4 65.8 105.2 267 270 A L H << S+ 0 0 3 -4,-2.3 -2,-0.2 -3,-0.5 -1,-0.2 0.773 116.7 46.0 -75.9 -24.1 5.9 64.1 105.6 268 271 A E H >< S+ 0 0 34 -4,-2.4 3,-1.3 -5,-0.2 -2,-0.2 0.454 79.9 126.7 -94.4 -9.2 7.7 67.3 104.4 269 272 A N T 3< S+ 0 0 20 -4,-1.3 -206,-0.4 -5,-0.3 -205,-0.4 -0.315 74.4 18.6 -56.5 134.3 5.8 70.0 106.4 270 273 A G T 3 S+ 0 0 11 1,-0.2 2,-0.4 -208,-0.1 -1,-0.2 0.596 100.2 110.0 84.8 16.6 8.1 72.3 108.4 271 274 A I < - 0 0 19 -3,-1.3 2,-0.5 -269,-0.1 -1,-0.2 -0.979 55.6-148.7-129.2 125.4 11.2 71.5 106.5 272 275 A T B -a 4 0A 73 -269,-2.9 -267,-2.8 -2,-0.4 -3,-0.0 -0.840 10.1-156.8 -93.8 131.4 13.0 73.9 104.1 273 276 A F - 0 0 44 -2,-0.5 -267,-0.1 -269,-0.2 -269,-0.1 -0.916 10.6-140.8-107.7 113.2 14.9 72.3 101.2 274 277 A P > - 0 0 40 0, 0.0 3,-1.2 0, 0.0 0, 0.0 -0.287 25.1-118.7 -59.5 157.8 17.8 74.4 99.6 275 278 A K T 3 S+ 0 0 184 1,-0.3 4,-0.1 4,-0.0 -2,-0.0 0.417 113.8 67.2 -90.5 12.7 17.8 74.0 95.7 276 279 A D T 3 S+ 0 0 141 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.642 83.5 106.3 -82.2 -17.4 21.1 72.5 95.8 277 280 A A S < S- 0 0 15 -3,-1.2 -4,-0.0 1,-0.1 -271,-0.0 -0.194 85.9 -91.8 -55.2 143.9 19.3 69.6 97.5 278 281 A P - 0 0 51 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.258 44.5-103.1 -51.5 139.9 18.7 66.3 95.6 279 282 A S - 0 0 94 1,-0.1 -156,-0.1 -3,-0.1 -4,-0.0 -0.280 58.6 -74.7 -46.5 153.9 15.3 66.1 93.7 280 283 A P - 0 0 51 0, 0.0 2,-0.3 0, 0.0 -156,-0.2 -0.249 53.7-121.4 -59.2 135.5 12.8 63.8 95.6 281 284 A F B -C 123 0C 28 -158,-3.3 -158,-2.6 -3,-0.1 2,-0.7 -0.659 14.9-155.2 -78.5 133.1 13.7 60.1 95.2 282 285 A I - 0 0 76 -2,-0.3 2,-0.2 -160,-0.2 -162,-0.0 -0.885 23.3-147.0-106.7 102.3 11.2 57.6 93.7 283 286 A F - 0 0 0 -2,-0.7 2,-0.1 -162,-0.4 -162,-0.1 -0.457 6.3-125.7 -70.6 135.0 12.1 54.2 95.1 284 287 A K - 0 0 100 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.474 26.3-122.3 -70.9 147.2 11.8 50.9 93.2 285 288 A T > - 0 0 20 -2,-0.1 4,-1.8 1,-0.1 3,-0.3 -0.549 24.7-106.7 -82.8 160.5 9.8 48.1 94.8 286 289 A L H >>>S+ 0 0 1 1,-0.2 5,-2.2 2,-0.2 4,-1.0 0.976 123.9 54.4 -44.6 -48.0 11.2 44.5 95.6 287 290 A E H >45S+ 0 0 156 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.867 105.7 49.5 -57.1 -43.3 9.1 43.3 92.8 288 291 A E H 345S+ 0 0 96 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.834 114.5 46.8 -69.0 -26.6 10.6 45.9 90.3 289 292 A Q H <<5S- 0 0 65 -4,-1.8 -1,-0.2 -3,-0.8 -2,-0.2 0.504 113.5-116.0 -89.4 -6.7 14.1 44.9 91.3 290 293 A G T <<5 0 0 69 -4,-1.0 -3,-0.2 -3,-0.9 -4,-0.1 0.815 360.0 360.0 76.1 26.2 13.5 41.1 91.1 291 294 A L < 0 0 103 -5,-2.2 -1,-0.2 -6,-0.2 -2,-0.1 -0.625 360.0 360.0-111.6 360.0 14.0 40.6 94.9