==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-FEB-97 1AC8 . COMPND 2 MOLECULE: CYTOCHROME C PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR R.A.MUSAH,G.M.JENSEN,S.W.BUNTE,R.ROSENFELD,D.E.MCREE, . 291 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13019.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 62.5 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 . 41 14.1 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 . 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 0 126 0, 0.0 2,-0.4 0, 0.0 269,-0.0 0.000 360.0 360.0 360.0 114.8 12.2 92.7 75.4 2 5 A V - 0 0 109 2,-0.0 2,-0.5 269,-0.0 269,-0.1 -0.876 360.0-170.7-110.4 136.5 9.7 90.2 73.9 3 6 A H - 0 0 27 267,-0.4 269,-3.4 -2,-0.4 2,-0.5 -0.920 7.0-163.3-126.4 105.3 8.6 90.6 70.3 4 7 A V B -a 272 0A 66 -2,-0.5 2,-0.3 267,-0.2 269,-0.2 -0.770 21.3-121.9-100.3 126.7 5.8 88.3 69.3 5 8 A A - 0 0 13 267,-3.1 2,-0.5 -2,-0.5 122,-0.2 -0.534 27.4-170.0 -60.1 123.3 5.0 87.7 65.6 6 9 A S - 0 0 74 120,-2.6 120,-0.2 -2,-0.3 3,-0.1 -0.943 21.3-128.8-120.8 106.3 1.4 88.8 64.7 7 10 A V - 0 0 52 -2,-0.5 3,-0.2 118,-0.1 121,-0.0 -0.305 35.4-101.8 -56.7 129.9 0.1 87.7 61.2 8 11 A E > - 0 0 22 1,-0.2 3,-2.3 2,-0.1 -1,-0.1 -0.287 64.0 -72.3 -47.5 134.0 -1.3 90.7 59.3 9 12 A K T 3 S- 0 0 173 1,-0.3 -1,-0.2 89,-0.1 3,-0.1 0.025 105.9 -18.8 -53.9 119.2 -5.2 90.3 59.6 10 13 A G T 3 S+ 0 0 77 -3,-0.2 -1,-0.3 1,-0.2 2,-0.1 0.488 98.0 138.8 71.8 1.7 -6.6 87.5 57.6 11 14 A R < + 0 0 83 -3,-2.3 2,-0.2 3,-0.1 -1,-0.2 -0.430 23.3 170.0 -76.4 149.0 -3.6 87.3 55.3 12 15 A S >> - 0 0 48 -2,-0.1 4,-1.3 -3,-0.1 3,-1.1 -0.816 51.8 -61.6-139.6-170.9 -2.2 83.9 54.1 13 16 A Y H 3> S+ 0 0 66 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.859 125.3 56.7 -43.5 -47.3 0.4 82.5 51.6 14 17 A E H 3> S+ 0 0 119 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.864 103.7 53.8 -62.3 -32.9 -1.4 83.8 48.5 15 18 A D H <> S+ 0 0 22 -3,-1.1 4,-1.6 2,-0.2 -1,-0.2 0.936 111.9 43.2 -65.9 -46.0 -1.2 87.4 49.7 16 19 A F H X S+ 0 0 0 -4,-1.3 4,-3.2 2,-0.2 -2,-0.2 0.871 108.5 58.0 -73.0 -33.8 2.5 87.4 50.3 17 20 A Q H X S+ 0 0 14 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.892 104.9 53.7 -64.2 -30.9 3.1 85.5 47.0 18 21 A K H X S+ 0 0 116 -4,-1.6 4,-2.0 -5,-0.2 -2,-0.2 0.920 109.6 46.1 -67.7 -41.4 1.4 88.5 45.4 19 22 A V H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.958 112.1 52.0 -64.9 -46.3 3.8 90.9 47.2 20 23 A Y H X S+ 0 0 0 -4,-3.2 4,-2.9 1,-0.2 5,-0.3 0.953 110.1 48.4 -45.6 -58.4 6.8 88.7 46.1 21 24 A N H X S+ 0 0 23 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.912 108.8 54.2 -57.2 -37.2 5.6 88.7 42.5 22 25 A A H X S+ 0 0 18 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.954 111.8 42.8 -60.7 -49.8 5.3 92.5 42.6 23 26 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.956 116.1 49.6 -58.2 -49.9 8.9 93.0 43.8 24 27 A A H X S+ 0 0 1 -4,-2.9 4,-1.2 1,-0.2 -2,-0.2 0.839 109.7 50.8 -61.4 -36.2 10.2 90.4 41.4 25 28 A L H X S+ 0 0 75 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.914 111.6 47.4 -69.6 -40.6 8.3 92.0 38.4 26 29 A K H X S+ 0 0 34 -4,-2.1 4,-3.0 -5,-0.2 -2,-0.2 0.868 106.0 58.8 -72.5 -29.6 9.8 95.4 39.3 27 30 A L H < S+ 0 0 26 -4,-2.4 12,-0.2 1,-0.2 -1,-0.2 0.870 110.5 44.2 -60.8 -36.2 13.3 93.8 39.6 28 31 A R H < S+ 0 0 134 -4,-1.2 3,-0.5 -5,-0.2 -2,-0.2 0.886 116.7 46.4 -73.3 -40.6 13.0 92.7 36.0 29 32 A E H < S+ 0 0 133 -4,-2.1 2,-1.5 1,-0.2 3,-0.3 0.963 108.5 51.6 -70.3 -52.6 11.5 96.0 34.9 30 33 A D S >< S+ 0 0 32 -4,-3.0 3,-0.6 1,-0.2 9,-0.5 -0.286 70.0 139.5 -85.9 60.0 14.0 98.4 36.5 31 34 A D T 3 + 0 0 79 -2,-1.5 -1,-0.2 -3,-0.5 -2,-0.1 0.534 51.4 72.2 -78.2 -15.2 17.1 96.7 35.2 32 35 A E T 3> + 0 0 86 -3,-0.3 4,-2.0 4,-0.1 3,-0.3 0.726 66.7 122.5 -78.1 -21.4 19.2 99.8 34.3 33 36 A Y H <>>S+ 0 0 42 -3,-0.6 5,-2.7 1,-0.2 4,-1.0 -0.069 79.4 5.4 -45.9 133.1 20.0 100.7 37.9 34 37 A D H >45S- 0 0 40 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.972 139.9 -46.8 53.3 57.2 23.7 100.9 38.9 35 38 A N H 345S- 0 0 152 -3,-0.3 -2,-0.2 1,-0.3 -1,-0.2 0.891 113.1 -48.5 45.9 55.5 25.0 100.3 35.4 36 39 A Y H 3<5S+ 0 0 152 -4,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.606 110.0 114.5 64.7 17.9 22.8 97.4 34.7 37 40 A I T <<5 - 0 0 20 -3,-1.3 3,-0.3 -4,-1.0 -3,-0.2 0.883 67.5-151.7 -71.2 -36.8 23.4 95.5 37.9 38 41 A G < - 0 0 8 -5,-2.7 4,-0.4 1,-0.2 -7,-0.2 -0.177 28.3 -65.4 85.7 175.8 19.8 96.1 38.8 39 42 A Y S > S+ 0 0 36 -9,-0.5 4,-1.6 -12,-0.2 -1,-0.2 0.577 102.8 92.8 -77.3 -10.6 18.2 96.4 42.3 40 43 A G H > S+ 0 0 4 -3,-0.3 4,-2.0 2,-0.2 3,-0.4 0.935 84.8 47.6 -53.8 -55.7 18.7 92.9 43.7 41 44 A P H > S+ 0 0 15 0, 0.0 4,-2.5 0, 0.0 3,-0.3 0.951 112.4 48.8 -55.6 -50.0 22.1 93.4 45.5 42 45 A V H > S+ 0 0 20 -4,-0.4 4,-2.2 1,-0.2 -2,-0.2 0.841 110.0 54.9 -61.4 -28.4 21.1 96.7 47.3 43 46 A L H X S+ 0 0 2 -4,-1.6 4,-1.9 -3,-0.4 -1,-0.2 0.884 108.0 45.9 -74.7 -35.2 17.8 94.9 48.4 44 47 A V H X S+ 0 0 10 -4,-2.0 4,-2.1 -3,-0.3 -2,-0.2 0.924 113.2 51.9 -74.3 -26.8 19.7 92.0 50.0 45 48 A R H X S+ 0 0 79 -4,-2.5 4,-2.7 -5,-0.3 -2,-0.2 0.925 108.3 51.2 -66.6 -39.2 22.0 94.6 51.7 46 49 A L H X S+ 0 0 1 -4,-2.2 4,-2.2 -5,-0.2 5,-0.3 0.957 109.5 49.5 -61.6 -45.4 18.9 96.5 53.0 47 50 A A H X S+ 0 0 0 -4,-1.9 4,-0.9 1,-0.2 -1,-0.2 0.892 112.5 48.6 -64.3 -35.1 17.5 93.2 54.5 48 51 A W H X S+ 0 0 46 -4,-2.1 4,-2.7 2,-0.2 3,-0.3 0.941 111.5 48.5 -69.6 -45.1 20.9 92.5 56.2 49 52 A H H < S+ 0 0 14 -4,-2.7 4,-0.4 1,-0.2 -2,-0.2 0.834 109.2 51.2 -69.1 -30.3 21.2 96.1 57.7 50 53 A I H < S+ 0 0 4 -4,-2.2 -1,-0.2 -5,-0.2 3,-0.2 0.814 120.3 37.7 -74.3 -24.2 17.7 96.2 59.1 51 54 A S H >< S+ 0 0 0 -4,-0.9 3,-1.7 -3,-0.3 -2,-0.2 0.806 103.0 71.5 -86.6 -31.4 18.4 92.8 60.8 52 55 A G T 3< S+ 0 0 0 -4,-2.7 -1,-0.1 1,-0.3 -3,-0.1 0.521 81.9 72.9 -67.9 -10.2 22.1 93.5 61.7 53 56 A T T 3 S+ 0 0 4 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.473 72.4 120.3 -79.0 -4.7 21.1 95.9 64.4 54 57 A W < - 0 0 21 -3,-1.7 2,-0.4 7,-0.3 7,-0.2 -0.324 47.8-160.3 -64.8 145.1 20.0 93.1 66.7 55 58 A D B >>> -B 60 0B 28 5,-2.2 4,-1.4 1,-0.1 3,-1.1 -0.907 8.8-156.0-125.0 112.9 21.6 92.6 70.0 56 59 A K T 345S+ 0 0 85 101,-2.3 -1,-0.1 -2,-0.4 102,-0.1 0.684 87.9 65.8 -54.8 -21.4 21.1 89.1 71.6 57 60 A H T 345S+ 0 0 143 100,-0.2 -1,-0.2 1,-0.2 -3,-0.0 0.885 123.7 7.1 -76.0 -38.2 21.7 90.5 75.1 58 61 A D T <45S- 0 0 76 -3,-1.1 -2,-0.2 2,-0.1 -1,-0.2 0.216 95.6-120.5-126.1 9.3 18.6 92.7 75.4 59 62 A N T <5 + 0 0 27 -4,-1.4 2,-0.2 1,-0.2 -3,-0.2 0.738 63.3 143.5 53.2 27.3 16.7 91.8 72.2 60 63 A T B < +B 55 0B 34 -5,-0.7 -5,-2.2 -7,-0.1 -1,-0.2 -0.546 49.4 18.7 -86.9 162.9 16.8 95.4 70.9 61 64 A G S S+ 0 0 15 73,-0.4 -7,-0.3 -7,-0.2 4,-0.2 -0.317 74.0 119.7 70.2-159.1 17.2 96.2 67.2 62 65 A G S S- 0 0 6 -13,-0.2 3,-0.4 1,-0.2 5,-0.3 -0.108 79.0 -67.8 88.9 169.4 16.5 93.4 64.6 63 66 A S S > S+ 0 0 1 206,-0.4 3,-1.1 203,-0.3 -1,-0.2 0.763 106.0 87.1 -74.0 -20.6 14.1 93.2 61.7 64 67 A Y T 3 S+ 0 0 21 205,-0.4 38,-0.3 1,-0.2 39,-0.2 0.860 88.0 44.1 -45.6 -53.4 10.8 93.1 63.8 65 68 A G T 3 S- 0 0 7 -3,-0.4 65,-1.8 -4,-0.2 -1,-0.2 0.574 88.7-136.9 -81.0 -11.8 10.0 96.8 64.2 66 69 A G X + 0 0 4 -3,-1.1 3,-1.6 -4,-0.3 4,-0.1 0.775 45.9 156.3 61.6 28.5 10.7 98.2 60.8 67 70 A T G > + 0 0 7 -5,-0.3 3,-1.9 1,-0.3 6,-0.4 0.547 47.9 87.1 -71.8 -6.9 12.5 101.1 62.4 68 71 A Y G 3 S+ 0 0 1 1,-0.3 -1,-0.3 5,-0.2 6,-0.1 0.729 76.0 73.0 -60.9 -22.7 14.6 101.9 59.3 69 72 A R G < S+ 0 0 75 -3,-1.6 2,-0.3 4,-0.1 -1,-0.3 0.723 84.6 87.0 -65.6 -16.5 11.6 104.1 58.2 70 73 A F S X> S- 0 0 29 -3,-1.9 4,-2.6 -4,-0.1 3,-0.6 -0.690 89.1-119.0 -88.7 141.6 12.7 106.5 61.0 71 74 A K H 3> S+ 0 0 142 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.781 107.6 58.8 -44.4 -44.8 15.2 109.3 60.4 72 75 A K H 34 S+ 0 0 83 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.954 116.9 32.2 -55.8 -51.2 17.8 108.1 63.0 73 76 A E H X4 S+ 0 0 3 -3,-0.6 3,-1.3 -6,-0.4 -2,-0.2 0.896 118.0 54.8 -77.2 -35.7 18.2 104.7 61.3 74 77 A F H 3< S+ 0 0 42 -4,-2.6 -2,-0.2 -7,-0.3 -1,-0.2 0.849 112.6 44.8 -63.4 -33.8 17.6 106.0 57.8 75 78 A N T 3< S+ 0 0 105 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.309 78.0 130.3 -95.3 9.2 20.4 108.5 58.2 76 79 A D X - 0 0 9 -3,-1.3 3,-1.7 1,-0.2 4,-0.2 -0.471 62.5-133.4 -56.2 128.0 22.9 106.1 59.9 77 80 A P G > S+ 0 0 99 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.869 106.2 63.1 -55.0 -32.6 26.2 106.7 57.9 78 81 A S G 3 S+ 0 0 41 1,-0.3 -2,-0.1 3,-0.0 -29,-0.0 0.746 99.4 53.6 -65.0 -21.8 26.5 102.9 57.7 79 82 A N G X S+ 0 0 1 -3,-1.7 3,-2.7 -6,-0.1 4,-0.4 0.354 75.8 142.3 -95.3 6.6 23.3 102.7 55.6 80 83 A A T < S+ 0 0 27 -3,-1.5 101,-0.1 1,-0.3 -5,-0.1 -0.187 70.8 22.2 -53.1 128.3 24.4 105.2 53.0 81 84 A G T > S+ 0 0 6 99,-0.1 3,-1.2 100,-0.0 4,-0.4 0.112 94.6 99.7 97.2 -21.0 23.2 104.2 49.6 82 85 A L T X> + 0 0 0 -3,-2.7 4,-2.3 1,-0.2 3,-1.1 0.734 60.2 82.4 -74.3 -11.8 20.3 102.0 51.0 83 86 A Q H 3> S+ 0 0 47 -4,-0.4 4,-2.5 1,-0.3 -1,-0.2 0.858 86.1 61.0 -56.8 -30.0 17.8 104.9 50.3 84 87 A N H <> S+ 0 0 61 -3,-1.2 4,-1.1 2,-0.2 -1,-0.3 0.817 103.2 46.8 -66.8 -33.8 17.8 103.5 46.7 85 88 A G H <> S+ 0 0 0 -3,-1.1 4,-2.1 -4,-0.4 -2,-0.2 0.920 112.6 51.5 -72.7 -41.6 16.4 100.1 48.0 86 89 A F H X S+ 0 0 44 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.942 109.4 48.3 -55.3 -51.5 13.8 102.0 50.1 87 90 A K H < S+ 0 0 114 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.851 109.1 54.9 -61.9 -30.9 12.6 104.1 47.1 88 91 A F H X S+ 0 0 4 -4,-1.1 4,-0.5 -5,-0.2 -1,-0.2 0.910 113.0 42.0 -64.7 -45.1 12.3 100.9 45.0 89 92 A L H X S+ 0 0 3 -4,-2.1 4,-1.9 1,-0.2 3,-0.4 0.762 94.6 81.5 -76.3 -21.2 10.1 99.3 47.6 90 93 A E H X S+ 0 0 76 -4,-1.9 4,-1.9 1,-0.2 3,-0.2 0.916 89.5 52.0 -58.9 -48.1 7.9 102.4 48.3 91 94 A P H > S+ 0 0 60 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.892 110.1 50.1 -42.3 -45.8 5.7 101.8 45.2 92 95 A I H X S+ 0 0 6 -4,-0.5 4,-2.0 -3,-0.4 -2,-0.2 0.866 108.2 51.9 -70.7 -30.9 5.0 98.2 46.3 93 96 A H H < S+ 0 0 45 -4,-1.9 -1,-0.2 -3,-0.2 6,-0.2 0.862 107.4 53.1 -72.3 -35.0 4.1 99.3 49.9 94 97 A K H < S+ 0 0 145 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.879 111.5 46.7 -61.2 -40.9 1.6 101.8 48.4 95 98 A E H < S+ 0 0 125 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.794 124.9 29.9 -70.8 -34.0 0.1 98.9 46.4 96 99 A F S >< S+ 0 0 20 -4,-2.0 3,-1.6 -5,-0.1 -1,-0.2 -0.618 70.1 166.3-123.9 73.6 -0.0 96.5 49.5 97 100 A P T 3 + 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.679 67.2 71.0 -71.4 -13.8 -0.5 98.9 52.4 98 101 A W T 3 S+ 0 0 55 -3,-0.1 2,-0.2 2,-0.1 -89,-0.1 0.686 76.5 91.3 -71.4 -25.6 -1.5 96.1 54.7 99 102 A I S < S- 0 0 4 -3,-1.6 2,-0.1 -6,-0.2 -3,-0.1 -0.528 80.2-119.5 -74.0 137.4 2.1 94.5 54.9 100 103 A S > - 0 0 15 -2,-0.2 4,-2.4 27,-0.2 5,-0.2 -0.383 20.4-114.2 -66.8 158.6 4.3 95.8 57.8 101 104 A S H > S+ 0 0 8 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.968 114.5 51.7 -61.5 -48.4 7.6 97.5 57.1 102 105 A G H > S+ 0 0 0 -38,-0.3 4,-2.5 1,-0.2 5,-0.2 0.898 112.8 47.1 -53.6 -43.5 9.8 94.8 58.7 103 106 A D H > S+ 0 0 0 24,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.898 112.4 47.6 -66.0 -44.2 8.1 92.2 56.6 104 107 A L H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.938 113.5 47.7 -65.1 -46.1 8.3 94.2 53.4 105 108 A F H X S+ 0 0 8 -4,-2.7 4,-1.3 -5,-0.2 -2,-0.2 0.946 116.4 44.6 -61.7 -43.1 12.1 95.0 53.9 106 109 A S H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.3 -2,-0.2 0.916 112.2 49.7 -71.1 -36.4 12.9 91.3 54.8 107 110 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.862 104.3 60.8 -68.4 -31.7 10.8 89.8 51.9 108 111 A G H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.917 106.5 46.9 -57.6 -41.9 12.6 92.2 49.4 109 112 A G H X S+ 0 0 0 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.921 113.5 48.1 -64.6 -45.1 15.9 90.5 50.5 110 113 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 5,-0.2 0.950 112.9 48.3 -59.3 -43.9 14.3 87.0 50.1 111 114 A T H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 5,-0.2 0.906 109.3 52.1 -66.3 -44.3 12.9 87.9 46.7 112 115 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 6,-0.2 0.939 110.1 48.5 -58.5 -47.0 16.1 89.3 45.3 113 116 A V H <>S+ 0 0 0 -4,-2.0 5,-2.9 2,-0.2 82,-0.2 0.946 115.4 42.7 -61.0 -50.9 18.2 86.2 46.2 114 117 A Q H ><5S+ 0 0 6 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 0.909 114.4 50.6 -64.5 -41.0 15.7 83.7 44.7 115 118 A E H 3<5S+ 0 0 44 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.829 106.6 54.4 -69.7 -25.0 15.2 85.9 41.6 116 119 A M T 3<5S- 0 0 18 -4,-2.0 79,-3.2 -5,-0.2 -1,-0.3 0.163 129.8-101.2 -88.4 25.3 19.0 86.2 41.1 117 120 A Q T < 5S+ 0 0 117 -3,-1.4 -3,-0.2 77,-0.2 -2,-0.1 0.660 75.5 142.8 51.3 37.6 18.9 82.3 41.2 118 121 A G < - 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0 0 39 -2,-0.7 3,-0.4 -5,-0.2 -23,-0.2 -0.877 66.0-103.3-136.3 176.4 26.9 81.9 42.9 197 200 A N S >> S+ 0 0 10 -2,-0.2 4,-1.5 1,-0.2 3,-1.1 0.247 80.2 119.3 -87.8 19.4 29.9 80.7 45.2 198 201 A E H 3> + 0 0 28 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.746 59.5 69.3 -53.4 -28.7 32.4 83.0 43.2 199 202 A F H 3> S+ 0 0 2 -3,-0.4 4,-2.0 -29,-0.3 -1,-0.2 0.945 105.2 42.1 -55.8 -43.0 33.3 85.1 46.3 200 203 A Y H <> S+ 0 0 0 -3,-1.1 4,-2.0 2,-0.2 5,-0.2 0.905 113.9 50.8 -72.5 -41.5 35.1 82.0 47.7 201 204 A L H X S+ 0 0 63 -4,-1.5 4,-2.5 2,-0.2 5,-0.2 0.951 112.9 45.9 -61.1 -44.7 36.6 81.0 44.4 202 205 A N H X S+ 0 0 17 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.902 108.8 55.3 -67.5 -39.7 38.0 84.6 43.8 203 206 A L H < S+ 0 0 3 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.936 117.6 35.5 -57.8 -47.4 39.4 84.9 47.3 204 207 A L H < S+ 0 0 57 -4,-2.0 -2,-0.2 1,-0.1 -1,-0.2 0.775 125.6 37.8 -78.6 -30.4 41.4 81.7 46.9 205 208 A N H < S+ 0 0 116 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.658 94.3 86.4-103.5 -12.6 42.3 82.0 43.1 206 209 A E S < S- 0 0 50 -4,-2.2 2,-1.0 -5,-0.2 16,-0.0 -0.509 76.6-118.1 -88.7 161.9 43.1 85.7 42.5 207 210 A D - 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0 0 53 -34,-0.3 -4,-2.8 -4,-0.2 2,-0.4 -0.792 57.2-117.9-103.7 144.8 41.3 103.7 52.3 218 221 A E E +E 212 0E 98 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.682 38.7 163.2 -81.8 139.2 43.1 100.4 51.8 219 222 A Q E -E 211 0E 7 -8,-2.2 -8,-2.8 -2,-0.4 2,-0.6 -0.989 41.6-103.3-146.9 156.3 41.5 97.5 49.9 220 223 A W E -EF 210 228E 42 8,-2.3 8,-2.3 -2,-0.3 2,-0.3 -0.721 41.8-170.6 -85.4 117.7 42.7 94.3 48.3 221 224 A D E -EF 209 227E 28 -12,-2.8 -12,-2.7 -2,-0.6 2,-0.3 -0.852 7.3-156.2-111.6 144.0 42.8 94.7 44.5 222 225 A S E > -E 208 0E 12 4,-2.4 3,-2.2 -2,-0.3 4,-0.2 -0.884 30.5-115.5-118.6 158.1 43.4 92.1 41.7 223 226 A K T 3 S+ 0 0 149 -16,-0.6 -1,-0.1 -2,-0.3 -15,-0.1 0.852 112.5 64.4 -52.9 -34.7 44.6 92.2 38.1 224 227 A S T 3 S- 0 0 67 -17,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.574 122.2-101.4 -69.0 -6.9 41.2 91.2 36.9 225 228 A G S < S+ 0 0 51 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.575 81.1 128.5 93.7 11.0 39.6 94.4 38.2 226 229 A Y - 0 0 41 -4,-0.2 -4,-2.4 -38,-0.1 -1,-0.3 -0.620 38.7-160.4 -96.7 162.9 38.1 92.9 41.4 227 230 A M E -F 221 0E 9 -40,-2.1 2,-0.3 -6,-0.2 -6,-0.2 -0.942 6.5-159.2-139.6 154.4 38.4 94.2 44.9 228 231 A M E -F 220 0E 1 -8,-2.3 -8,-2.3 -2,-0.3 3,-0.0 -0.985 22.6-122.9-132.2 143.6 38.0 92.7 48.4 229 232 A L > - 0 0 16 -2,-0.3 4,-2.4 -10,-0.2 3,-0.5 -0.541 31.3-108.6 -74.8 158.3 37.4 94.7 51.6 230 233 A P H > S+ 0 0 23 0, 0.0 4,-1.9 0, 0.0 -85,-0.2 0.951 123.8 49.4 -53.4 -47.6 39.9 94.2 54.6 231 234 A T H 4 S+ 0 0 15 -87,-2.2 4,-0.4 1,-0.2 -86,-0.1 0.818 110.3 52.0 -64.0 -26.2 37.2 92.2 56.5 232 235 A D H >4 S+ 0 0 6 -3,-0.5 3,-1.2 -88,-0.2 4,-0.3 0.914 108.5 47.9 -70.5 -44.7 36.6 90.1 53.3 233 236 A Y H >X S+ 0 0 43 -4,-2.4 3,-1.9 1,-0.2 4,-0.9 0.810 96.0 78.3 -66.1 -29.0 40.2 89.2 52.9 234 237 A S H 3X S+ 0 0 0 -4,-1.9 4,-1.4 -5,-0.3 3,-0.3 0.777 79.3 70.5 -42.5 -33.8 40.2 88.3 56.6 235 238 A L H <4 S+ 0 0 0 -3,-1.2 -1,-0.3 -4,-0.4 10,-0.2 0.756 101.2 41.6 -69.3 -24.5 38.5 85.1 55.8 236 239 A I H <4 S+ 0 0 37 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.626 109.4 61.5 -96.0 -8.8 41.6 83.6 54.2 237 240 A Q H < S+ 0 0 112 -4,-0.9 -2,-0.2 -3,-0.3 -3,-0.1 0.755 94.3 68.6 -79.3 -25.9 43.9 85.0 57.0 238 241 A D S X S- 0 0 24 -4,-1.4 4,-3.0 1,-0.1 5,-0.2 -0.834 77.1-141.9 -96.3 132.0 42.2 83.0 59.8 239 242 A P H > S+ 0 0 99 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.858 99.9 47.6 -62.6 -39.3 42.7 79.2 59.8 240 243 A K H > S+ 0 0 112 2,-0.2 4,-1.2 1,-0.1 -5,-0.0 0.980 118.4 41.5 -64.7 -50.6 39.1 78.3 61.0 241 244 A Y H >> S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 3,-0.6 0.935 110.2 58.4 -58.7 -49.0 37.5 80.6 58.4 242 245 A L H 3X S+ 0 0 43 -4,-3.0 4,-2.1 1,-0.2 5,-0.2 0.899 103.2 51.5 -55.1 -43.5 39.9 79.6 55.6 243 246 A S H 3X S+ 0 0 67 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.855 110.1 48.5 -70.0 -21.6 39.0 75.9 55.8 244 247 A I H S+ 0 0 129 1,-0.2 4,-2.8 -3,-0.2 5,-0.2 0.900 85.8 56.5 -64.0 -33.1 28.2 75.2 45.6 253 256 A D H > S+ 0 0 103 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.912 107.1 48.2 -63.8 -44.2 25.2 73.2 46.9 254 257 A K H > S+ 0 0 55 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.935 111.8 51.5 -60.7 -48.2 26.5 73.1 50.5 255 258 A F H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.960 111.5 46.5 -50.1 -56.1 27.1 76.9 50.2 256 259 A F H X S+ 0 0 47 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.942 113.9 48.7 -54.2 -45.4 23.5 77.4 49.0 257 260 A K H X S+ 0 0 92 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.928 115.4 42.7 -61.9 -44.9 22.1 75.2 51.8 258 261 A D H X S+ 0 0 10 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.867 112.1 53.5 -73.9 -31.9 24.1 76.9 54.6 259 262 A F H X S+ 0 0 2 -4,-2.8 4,-2.8 -5,-0.3 5,-0.3 0.945 106.8 53.8 -62.6 -46.3 23.4 80.5 53.2 260 263 A S H X S+ 0 0 17 -4,-2.2 4,-2.1 -5,-0.2 5,-0.2 0.929 111.2 44.8 -54.8 -50.7 19.6 79.7 53.2 261 264 A K H X S+ 0 0 128 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.911 116.3 44.8 -61.9 -43.7 19.7 78.7 56.9 262 265 A A H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.841 112.6 50.3 -76.2 -28.0 21.9 81.6 58.1 263 266 A F H X S+ 0 0 5 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.916 112.7 47.0 -74.0 -40.0 20.0 84.3 56.1 264 267 A E H X S+ 0 0 34 -4,-2.1 4,-1.8 -5,-0.3 3,-0.2 0.983 113.7 48.7 -62.4 -47.7 16.6 83.1 57.5 265 268 A K H X S+ 0 0 56 -4,-2.2 4,-1.4 1,-0.3 3,-0.4 0.921 110.4 51.8 -56.6 -44.5 18.1 83.0 61.0 266 269 A L H < S+ 0 0 4 -4,-2.3 -203,-0.3 1,-0.2 -1,-0.3 0.873 111.8 45.9 -53.9 -46.7 19.4 86.5 60.4 267 270 A L H < S+ 0 0 3 -4,-2.1 -1,-0.2 -3,-0.2 -2,-0.2 0.720 116.2 45.8 -74.4 -21.9 16.0 87.8 59.4 268 271 A E H >< S+ 0 0 34 -4,-1.8 3,-1.9 -3,-0.4 -2,-0.2 0.507 76.7 127.2 -98.9 -13.1 14.2 86.0 62.3 269 272 A D T 3< S+ 0 0 19 -4,-1.4 -205,-0.4 1,-0.2 -206,-0.4 -0.201 77.8 17.9 -50.8 130.0 16.5 87.0 65.2 270 273 A G T 3 S+ 0 0 16 1,-0.2 2,-0.5 -208,-0.1 -267,-0.4 0.169 97.2 116.5 95.0 -18.1 14.5 88.6 68.1 271 274 A I < - 0 0 18 -3,-1.9 2,-0.6 -269,-0.1 -1,-0.2 -0.691 51.5-152.8 -94.2 128.9 11.1 87.3 67.0 272 275 A T B -a 4 0A 66 -269,-3.4 -267,-3.1 -2,-0.5 -3,-0.0 -0.880 10.7-159.5 -93.6 118.6 8.9 85.0 69.0 273 276 A F - 0 0 45 -2,-0.6 -267,-0.1 -269,-0.2 -269,-0.1 -0.909 16.1-131.2-101.4 114.4 6.6 82.9 66.8 274 277 A P > - 0 0 44 0, 0.0 3,-2.3 0, 0.0 -270,-0.0 -0.280 25.0-112.8 -51.4 148.0 3.5 81.4 68.7 275 278 A K T 3 S+ 0 0 192 1,-0.3 -2,-0.0 0, 0.0 0, 0.0 0.724 117.5 55.9 -69.4 -13.4 3.0 77.6 68.0 276 279 A D T 3 S+ 0 0 145 2,-0.0 -1,-0.3 3,-0.0 3,-0.1 0.324 83.6 113.4 -89.0 3.8 -0.3 78.3 66.2 277 280 A A S < S- 0 0 24 -3,-2.3 -4,-0.1 1,-0.1 -271,-0.0 -0.490 78.7 -95.7 -69.4 149.2 1.6 80.7 63.8 278 281 A P - 0 0 55 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.231 42.6 -97.4 -63.3 152.7 1.8 79.4 60.2 279 282 A S - 0 0 95 1,-0.1 2,-0.1 -3,-0.1 -156,-0.1 -0.166 54.3 -76.9 -54.5 160.7 4.7 77.5 58.8 280 283 A P - 0 0 47 0, 0.0 2,-0.3 0, 0.0 -156,-0.2 -0.420 50.7-124.3 -59.2 136.6 7.5 79.3 56.9 281 284 A F B -C 123 0C 22 -158,-3.3 -158,-2.1 -3,-0.1 2,-0.6 -0.713 13.5-155.9 -82.7 140.4 6.5 80.1 53.3 282 285 A I - 0 0 81 -2,-0.3 2,-0.3 -160,-0.2 -162,-0.0 -0.947 22.4-149.6-109.6 107.6 8.6 78.9 50.4 283 286 A F - 0 0 0 -2,-0.6 2,-0.2 -162,-0.3 -162,-0.1 -0.590 8.0-125.4 -82.7 139.1 7.7 81.3 47.5 284 287 A K - 0 0 103 -2,-0.3 2,-0.1 1,-0.1 -1,-0.1 -0.494 25.5-121.0 -73.7 146.1 7.8 80.3 43.9 285 288 A T > - 0 0 14 -2,-0.2 4,-1.6 1,-0.1 6,-0.2 -0.492 25.0-108.6 -79.8 162.7 9.9 82.3 41.5 286 289 A L H >>>S+ 0 0 0 1,-0.2 5,-2.3 2,-0.2 4,-0.9 0.975 122.4 54.6 -51.7 -41.0 8.5 84.1 38.4 287 290 A E H >45S+ 0 0 156 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.918 105.8 48.3 -60.9 -46.4 10.2 81.5 36.3 288 291 A E H 345S+ 0 0 108 1,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.781 114.7 48.7 -67.5 -21.0 8.6 78.5 38.2 289 292 A Q H <<5S- 0 0 63 -4,-1.6 -1,-0.3 -3,-0.7 -2,-0.2 0.499 110.3-122.8 -88.9 -8.8 5.3 80.3 37.7 290 293 A G T <<5 0 0 70 -3,-1.2 -3,-0.2 -4,-0.9 -4,-0.1 0.755 360.0 360.0 68.2 21.6 5.9 81.0 33.9 291 294 A L < 0 0 103 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.358 360.0 360.0 -91.7 360.0 5.4 84.7 34.6