==== 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 04-JAN-93 1CCA . COMPND 2 MOLECULE: CYTOCHROME C PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR D.B.GOODIN,D.E.MCREE . 291 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12929.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 63.2 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 . 9 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 14.4 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 0 132 0, 0.0 2,-0.4 0, 0.0 269,-0.0 0.000 360.0 360.0 360.0 133.4 12.2 78.2 113.6 2 5 A V - 0 0 108 2,-0.0 2,-0.5 269,-0.0 269,-0.1 -0.963 360.0-165.8-116.8 141.0 13.8 77.3 110.3 3 6 A H - 0 0 25 -2,-0.4 269,-2.9 267,-0.3 2,-0.5 -0.912 9.3-160.8-129.0 103.9 14.7 73.6 109.7 4 7 A V B -a 272 0A 71 -2,-0.5 2,-0.2 267,-0.2 269,-0.2 -0.730 20.8-119.6 -91.8 130.5 17.0 73.3 106.7 5 8 A A - 0 0 11 267,-2.8 2,-0.5 -2,-0.5 122,-0.2 -0.496 30.1-170.9 -65.2 130.8 17.3 69.9 105.1 6 9 A S - 0 0 71 120,-2.6 120,-0.2 -2,-0.2 3,-0.1 -0.946 21.0-128.1-125.7 109.4 20.8 68.5 105.2 7 10 A V - 0 0 52 -2,-0.5 3,-0.1 118,-0.1 5,-0.0 -0.275 36.8 -98.9 -51.7 132.2 21.7 65.3 103.2 8 11 A E > - 0 0 20 1,-0.2 3,-2.2 2,-0.1 -1,-0.1 -0.335 61.0 -87.4 -50.9 123.8 23.4 62.6 105.3 9 12 A K T 3 S- 0 0 177 1,-0.3 -1,-0.2 89,-0.1 -3,-0.0 -0.154 103.0 -4.3 -53.4 115.7 27.0 63.1 104.4 10 13 A G T 3 S+ 0 0 78 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.424 96.5 132.4 90.4 0.6 28.2 61.3 101.3 11 14 A R < - 0 0 91 -3,-2.2 -1,-0.2 87,-0.1 2,-0.2 -0.580 29.6-178.8 -90.7 142.7 24.9 59.4 100.7 12 15 A S >> - 0 0 50 -2,-0.3 4,-1.4 -5,-0.0 3,-0.9 -0.698 47.7 -75.6-123.5-175.5 23.2 59.1 97.3 13 16 A Y H 3> S+ 0 0 64 1,-0.2 4,-2.6 -2,-0.2 3,-0.2 0.877 125.6 57.0 -46.7 -49.4 20.0 57.5 95.9 14 17 A E H 3> S+ 0 0 113 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.853 103.0 54.7 -57.8 -35.5 21.4 53.9 95.9 15 18 A D H <> S+ 0 0 27 -3,-0.9 4,-1.3 2,-0.2 -1,-0.2 0.933 111.1 44.1 -62.8 -45.3 22.1 54.2 99.7 16 19 A F H X S+ 0 0 0 -4,-1.4 4,-2.5 1,-0.2 -2,-0.2 0.897 107.0 59.3 -70.1 -36.2 18.5 55.1 100.4 17 20 A Q H X S+ 0 0 14 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.857 103.3 54.5 -59.4 -33.8 17.2 52.4 98.0 18 21 A K H X S+ 0 0 107 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.873 107.8 47.9 -66.9 -37.4 19.1 49.8 100.3 19 22 A V H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.948 112.2 50.2 -67.2 -42.9 17.3 51.1 103.4 20 23 A Y H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.949 110.8 49.7 -55.8 -55.6 13.9 50.8 101.5 21 24 A N H X S+ 0 0 24 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.915 109.2 51.9 -53.1 -41.4 14.9 47.2 100.4 22 25 A A H X S+ 0 0 17 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.932 112.6 44.4 -63.1 -43.7 15.7 46.3 104.0 23 26 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.958 115.5 48.8 -62.6 -47.1 12.3 47.6 105.4 24 27 A A H X S+ 0 0 1 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.880 109.6 50.5 -65.0 -39.1 10.5 45.9 102.5 25 28 A L H X S+ 0 0 70 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.910 111.6 49.0 -64.5 -41.2 12.2 42.5 102.9 26 29 A K H X S+ 0 0 42 -4,-1.8 4,-2.7 -5,-0.3 -2,-0.2 0.859 106.3 56.4 -71.1 -28.5 11.4 42.6 106.7 27 30 A L H < S+ 0 0 23 -4,-2.1 12,-0.2 2,-0.2 -2,-0.2 0.943 110.0 46.9 -61.3 -44.7 7.7 43.5 105.8 28 31 A R H >< S+ 0 0 133 -4,-1.9 3,-0.6 1,-0.2 -2,-0.2 0.925 115.7 45.6 -58.2 -47.2 7.6 40.3 103.7 29 32 A E H 3< S+ 0 0 134 -4,-2.3 2,-1.4 1,-0.2 3,-0.3 0.937 108.2 51.3 -68.0 -50.9 9.2 38.2 106.4 30 33 A D T >< + 0 0 29 -4,-2.7 3,-0.9 1,-0.2 9,-0.3 -0.200 67.2 141.4 -86.7 54.7 7.3 39.3 109.5 31 34 A D T < + 0 0 90 -2,-1.4 -1,-0.2 -3,-0.6 -2,-0.1 0.662 54.1 72.3 -73.2 -8.4 3.9 38.6 107.9 32 35 A E T 3> + 0 0 87 -3,-0.3 4,-2.0 4,-0.1 3,-0.2 0.709 65.5 120.8 -81.2 -20.8 2.2 37.2 111.1 33 36 A Y H <>>S+ 0 0 41 -3,-0.9 5,-2.4 2,-0.2 4,-1.2 -0.096 80.2 5.5 -50.8 137.3 1.9 40.4 113.2 34 37 A D H >45S- 0 0 40 1,-0.2 3,-1.2 2,-0.2 -1,-0.2 0.961 139.9 -44.6 52.7 62.6 -1.6 41.4 114.3 35 38 A N H 345S- 0 0 150 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.886 113.9 -51.0 49.9 45.5 -3.5 38.3 113.0 36 39 A Y H 3<5S+ 0 0 155 -4,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.718 108.4 117.4 66.5 21.3 -1.6 38.3 109.6 37 40 A I T <<5 - 0 0 15 -3,-1.2 3,-0.3 -4,-1.2 -3,-0.2 0.859 67.3-147.2 -76.1 -33.5 -2.2 41.9 108.7 38 41 A G < - 0 0 9 -5,-2.4 4,-0.4 1,-0.1 -7,-0.1 -0.255 28.3 -71.2 88.2 172.8 1.6 42.4 108.8 39 42 A Y S > S+ 0 0 37 -9,-0.3 4,-1.8 -12,-0.2 -1,-0.1 0.554 103.5 96.2 -82.8 -3.5 3.5 45.6 109.9 40 43 A G H > S+ 0 0 4 -3,-0.3 4,-1.9 1,-0.2 3,-0.2 0.947 84.7 46.9 -52.1 -55.9 2.6 47.8 106.8 41 44 A P H > S+ 0 0 16 0, 0.0 4,-2.3 0, 0.0 3,-0.2 0.930 111.6 48.7 -55.2 -47.9 -0.4 49.6 108.4 42 45 A V H > S+ 0 0 18 -4,-0.4 4,-2.2 1,-0.2 -2,-0.2 0.859 109.1 56.2 -68.2 -26.3 1.3 50.5 111.8 43 46 A L H X S+ 0 0 1 -4,-1.8 4,-2.1 -3,-0.2 -1,-0.2 0.883 107.9 44.9 -71.8 -38.1 4.3 51.9 109.8 44 47 A V H X S+ 0 0 9 -4,-1.9 4,-2.1 -3,-0.2 -2,-0.2 0.934 112.9 52.5 -75.6 -29.5 2.1 54.3 107.8 45 48 A R H X S+ 0 0 75 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.914 108.9 51.1 -62.3 -38.9 0.4 55.3 111.0 46 49 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 5,-0.3 0.956 108.3 50.5 -62.7 -47.6 3.9 55.9 112.6 47 50 A A H X S+ 0 0 0 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.860 113.3 46.9 -60.7 -35.3 4.9 58.2 109.6 48 51 A W H X S+ 0 0 50 -4,-2.1 4,-2.6 2,-0.2 3,-0.3 0.935 111.1 50.1 -73.4 -42.8 1.6 60.2 110.0 49 52 A H H < S+ 0 0 14 -4,-2.7 4,-0.3 1,-0.2 -2,-0.2 0.857 110.5 48.2 -67.0 -32.7 1.9 60.6 113.9 50 53 A I H < S+ 0 0 4 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.756 120.5 40.0 -75.4 -21.7 5.6 61.9 113.8 51 54 A S H >< S+ 0 0 0 -4,-0.8 3,-1.5 -3,-0.3 -2,-0.2 0.779 103.3 69.7 -87.7 -30.1 4.5 64.3 111.0 52 55 A G T 3< S+ 0 0 0 -4,-2.6 -2,-0.1 1,-0.3 -3,-0.1 0.488 80.0 74.5 -73.8 -7.0 1.1 65.3 112.5 53 56 A T T 3 S+ 0 0 4 -4,-0.3 -1,-0.3 -3,-0.1 2,-0.1 0.453 71.5 124.0 -81.5 -2.4 2.6 67.2 115.5 54 57 A W < - 0 0 21 -3,-1.5 2,-0.5 7,-0.2 7,-0.2 -0.352 45.4-160.9 -66.7 137.2 3.5 70.1 113.1 55 58 A D B >>> -B 60 0B 31 5,-2.5 4,-1.3 1,-0.1 3,-1.0 -0.907 8.4-157.9-117.4 113.3 2.2 73.6 113.8 56 59 A K T 345S+ 0 0 76 101,-2.5 -1,-0.1 -2,-0.5 102,-0.1 0.687 86.1 67.4 -57.4 -19.1 2.3 76.1 110.9 57 60 A H T 345S+ 0 0 129 100,-0.2 -1,-0.2 1,-0.2 100,-0.0 0.885 122.3 7.5 -76.6 -37.5 2.3 79.1 113.2 58 61 A D T <45S- 0 0 78 -3,-1.0 -2,-0.2 2,-0.1 -1,-0.2 0.246 97.2-117.0-125.2 10.9 5.7 78.7 114.8 59 62 A N T <5 + 0 0 27 -4,-1.3 2,-0.2 1,-0.2 -3,-0.2 0.733 64.7 144.5 57.4 24.0 7.2 75.8 112.7 60 63 A T B < +B 55 0B 35 -5,-0.7 -5,-2.5 -7,-0.0 -1,-0.2 -0.561 48.5 12.7 -86.2 161.9 7.4 73.4 115.8 61 64 A G S S+ 0 0 14 73,-0.4 -7,-0.2 -7,-0.2 3,-0.2 -0.278 71.1 118.4 70.3-159.3 6.8 69.6 115.6 62 65 A G S S- 0 0 4 -13,-0.2 3,-0.4 1,-0.2 5,-0.3 -0.182 81.0 -63.4 84.8 175.6 6.7 67.8 112.2 63 66 A S S > S+ 0 0 2 206,-0.4 3,-1.2 203,-0.3 -1,-0.2 0.710 106.7 89.2 -74.4 -18.7 9.0 64.9 111.0 64 67 A Y T 3 S+ 0 0 22 205,-0.4 38,-0.3 1,-0.2 -1,-0.2 0.847 87.2 41.9 -48.5 -51.1 12.2 66.8 110.8 65 68 A G T 3 S- 0 0 7 -3,-0.4 65,-1.8 -4,-0.2 -1,-0.2 0.528 89.7-136.5 -84.4 -6.8 13.7 66.3 114.2 66 69 A G X + 0 0 2 -3,-1.2 3,-1.4 -4,-0.2 4,-0.1 0.813 45.7 157.4 53.7 35.0 12.8 62.7 114.8 67 70 A T G > + 0 0 6 -5,-0.3 3,-2.0 1,-0.3 6,-0.4 0.572 47.6 87.3 -74.9 -7.1 11.7 63.5 118.3 68 71 A Y G 3 S+ 0 0 0 1,-0.3 -1,-0.3 5,-0.2 6,-0.2 0.758 76.5 73.3 -56.4 -25.1 9.5 60.4 118.7 69 72 A R G < S+ 0 0 77 -3,-1.4 2,-0.3 4,-0.1 -1,-0.3 0.688 83.7 87.6 -63.5 -21.0 12.7 58.7 119.9 70 73 A F S X> S- 0 0 28 -3,-2.0 4,-2.7 -4,-0.1 3,-0.7 -0.679 88.8-119.0 -86.6 140.0 12.3 60.8 123.1 71 74 A K H 3> S+ 0 0 140 -2,-0.3 4,-2.8 1,-0.2 5,-0.1 0.807 107.1 57.9 -37.8 -52.1 10.3 59.6 126.1 72 75 A K H 34 S+ 0 0 83 1,-0.2 -1,-0.2 2,-0.2 -4,-0.1 0.914 117.3 32.0 -53.1 -50.2 7.7 62.5 126.1 73 76 A E H X4 S+ 0 0 5 -3,-0.7 3,-1.4 -6,-0.4 -1,-0.2 0.882 116.7 56.9 -75.9 -40.8 6.6 61.9 122.6 74 77 A F H 3< S+ 0 0 42 -4,-2.7 -2,-0.2 -7,-0.3 -3,-0.2 0.905 112.1 42.9 -55.4 -43.3 7.1 58.1 122.7 75 78 A N T 3< S+ 0 0 106 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.240 80.1 133.1 -89.1 8.6 4.8 57.8 125.7 76 79 A D X - 0 0 11 -3,-1.4 3,-2.6 1,-0.1 4,-0.2 -0.482 63.0-129.2 -55.7 124.1 2.1 60.3 124.3 77 80 A P G > S+ 0 0 103 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.892 108.8 59.0 -42.4 -41.0 -1.4 58.5 124.9 78 81 A S G 3 S+ 0 0 40 1,-0.3 -2,-0.1 63,-0.1 -3,-0.0 0.631 100.1 56.8 -66.5 -14.0 -2.2 59.2 121.2 79 82 A N G X S+ 0 0 0 -3,-2.6 3,-2.0 -6,-0.1 4,-0.4 0.301 74.1 140.0 -98.6 7.5 0.8 57.2 120.1 80 83 A A T < S+ 0 0 25 -3,-1.8 101,-0.1 1,-0.3 -5,-0.1 -0.258 71.5 21.2 -53.8 127.2 -0.3 54.0 122.0 81 84 A G T > S+ 0 0 6 99,-0.1 3,-1.1 100,-0.0 4,-0.4 0.088 94.8 99.0 98.4 -23.7 0.5 50.9 119.8 82 85 A L T X> + 0 0 0 -3,-2.0 4,-2.1 1,-0.2 3,-0.9 0.741 61.3 81.9 -70.6 -16.0 3.2 52.7 117.7 83 86 A Q H 3> S+ 0 0 50 -4,-0.4 4,-2.6 1,-0.3 -1,-0.2 0.809 85.7 61.4 -55.6 -30.1 6.0 51.1 119.8 84 87 A N H <> S+ 0 0 50 -3,-1.1 4,-1.7 2,-0.2 -1,-0.3 0.887 104.2 45.4 -62.0 -44.4 5.4 48.0 117.6 85 88 A G H <> S+ 0 0 0 -3,-0.9 4,-1.9 -4,-0.4 -2,-0.2 0.902 112.3 52.6 -68.8 -38.4 6.4 50.0 114.5 86 89 A F H X S+ 0 0 48 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.944 109.1 48.8 -58.8 -51.0 9.4 51.5 116.4 87 90 A K H < S+ 0 0 114 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.856 108.4 55.1 -60.2 -35.9 10.6 48.0 117.4 88 91 A F H < S+ 0 0 4 -4,-1.7 4,-0.4 1,-0.2 -1,-0.2 0.904 112.5 42.2 -59.3 -45.4 10.3 46.8 113.8 89 92 A L H >X S+ 0 0 2 -4,-1.9 4,-2.2 1,-0.2 3,-0.5 0.742 92.6 83.7 -79.7 -23.2 12.5 49.6 112.5 90 93 A E H 3X S+ 0 0 79 -4,-1.8 4,-2.1 1,-0.2 5,-0.2 0.884 90.3 48.6 -51.2 -47.4 15.2 49.4 115.2 91 94 A P H 3> S+ 0 0 63 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.839 110.8 54.0 -58.0 -33.3 17.2 46.5 113.6 92 95 A I H <> S+ 0 0 5 -3,-0.5 4,-1.8 -4,-0.4 -2,-0.2 0.908 106.4 50.3 -71.4 -35.4 17.1 48.4 110.4 93 96 A H H < S+ 0 0 45 -4,-2.2 6,-0.2 1,-0.2 -1,-0.2 0.910 108.4 52.4 -70.0 -37.1 18.6 51.5 112.1 94 97 A K H < S+ 0 0 140 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.850 111.2 49.0 -62.1 -32.4 21.4 49.3 113.6 95 98 A E H < S+ 0 0 124 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.824 123.9 29.4 -73.0 -35.6 22.1 48.1 110.0 96 99 A F S >< S+ 0 0 22 -4,-1.8 3,-1.5 -5,-0.1 -1,-0.3 -0.628 70.9 166.5-122.6 73.5 22.1 51.6 108.6 97 100 A P T 3 + 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.700 68.3 68.6 -69.2 -16.4 23.4 53.8 111.5 98 101 A W T 3 S+ 0 0 56 -3,-0.1 2,-0.2 2,-0.1 -89,-0.1 0.689 77.8 93.7 -73.2 -23.7 24.0 56.8 109.2 99 102 A I S < S- 0 0 4 -3,-1.5 2,-0.1 -6,-0.2 -3,-0.1 -0.529 79.4-117.9 -75.4 141.6 20.3 57.5 108.4 100 103 A S > - 0 0 15 -2,-0.2 4,-2.6 27,-0.2 5,-0.2 -0.406 19.9-117.0 -73.4 155.5 18.5 60.1 110.6 101 104 A S H > S+ 0 0 8 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.952 114.9 48.8 -56.7 -50.2 15.5 59.1 112.8 102 105 A G H > S+ 0 0 0 -38,-0.3 4,-2.1 1,-0.2 5,-0.3 0.879 112.3 49.6 -58.8 -40.6 13.0 61.4 110.9 103 106 A D H > S+ 0 0 0 24,-0.2 4,-2.4 -39,-0.2 -1,-0.2 0.951 114.1 45.3 -64.1 -40.3 14.3 60.0 107.6 104 107 A L H X S+ 0 0 2 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.952 114.3 46.9 -66.1 -48.6 13.9 56.4 108.8 105 108 A F H X S+ 0 0 5 -4,-3.0 4,-1.3 2,-0.2 -58,-0.2 0.937 117.5 43.3 -60.2 -44.8 10.4 56.9 110.3 106 109 A S H X S+ 0 0 0 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.926 112.3 51.9 -70.4 -41.9 9.1 58.7 107.3 107 110 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.3 5,-0.2 0.873 101.8 61.9 -60.5 -36.3 10.7 56.3 104.8 108 111 A G H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.937 104.7 49.0 -53.2 -44.6 9.0 53.4 106.7 109 112 A G H X S+ 0 0 0 -4,-1.3 4,-2.2 -66,-0.2 -1,-0.2 0.915 112.6 46.7 -61.2 -46.4 5.6 54.9 105.7 110 113 A V H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 5,-0.2 0.914 112.2 49.5 -60.8 -45.5 6.6 55.3 102.1 111 114 A T H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.3 0.962 110.7 51.3 -61.6 -46.7 8.0 51.8 101.8 112 115 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 6,-0.2 0.921 109.3 48.3 -59.4 -47.6 4.8 50.3 103.4 113 116 A V H <>S+ 0 0 0 -4,-2.2 5,-2.4 1,-0.2 82,-0.2 0.932 116.0 43.9 -60.0 -42.8 2.4 52.1 101.0 114 117 A Q H ><5S+ 0 0 6 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.906 112.3 50.6 -72.0 -39.3 4.3 51.1 97.9 115 118 A E H 3<5S+ 0 0 42 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.837 104.2 60.6 -67.8 -28.1 4.9 47.4 99.0 116 119 A M T 3<5S- 0 0 15 -4,-2.1 79,-3.0 -5,-0.3 -1,-0.3 0.124 128.7 -97.9 -83.8 28.6 1.1 47.2 99.8 117 120 A Q T < 5S+ 0 0 127 -3,-1.2 -3,-0.2 77,-0.2 -2,-0.1 0.689 81.0 140.2 64.0 21.6 0.5 47.9 96.0 118 121 A G < - 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0 0 31 -2,-0.8 3,-0.5 -26,-0.2 -23,-0.1 -0.892 69.7 -95.8-138.1-180.0 -7.1 50.5 97.6 197 200 A N S >> S+ 0 0 18 -2,-0.3 4,-1.5 1,-0.2 3,-0.9 0.229 81.6 121.4 -84.2 22.4 -10.1 53.0 97.6 198 201 A E H 3> + 0 0 26 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.816 59.9 65.7 -57.2 -36.2 -12.1 50.6 99.8 199 202 A F H 3> S+ 0 0 1 -3,-0.5 4,-2.3 -29,-0.3 -1,-0.2 0.914 105.7 43.7 -51.7 -42.9 -12.5 53.1 102.6 200 203 A Y H <> S+ 0 0 0 -3,-0.9 4,-2.4 2,-0.2 5,-0.2 0.934 112.5 50.7 -71.3 -45.2 -14.7 55.3 100.4 201 204 A L H X S+ 0 0 63 -4,-1.5 4,-2.6 1,-0.2 5,-0.3 0.950 113.2 46.9 -60.4 -45.7 -16.7 52.5 98.9 202 205 A N H X S+ 0 0 13 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.929 109.7 52.5 -60.9 -44.8 -17.5 51.2 102.4 203 206 A L H < S+ 0 0 3 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.928 118.4 38.0 -59.4 -39.5 -18.4 54.6 103.7 204 207 A L H < S+ 0 0 58 -4,-2.4 -2,-0.2 1,-0.1 -1,-0.2 0.787 124.0 37.0 -82.1 -27.1 -20.9 55.0 100.8 205 208 A N H < S+ 0 0 118 -4,-2.6 2,-0.2 -5,-0.2 -3,-0.2 0.611 91.7 90.1-108.4 -9.8 -22.3 51.4 100.6 206 209 A E S < S- 0 0 49 -4,-2.0 2,-1.3 -5,-0.3 16,-0.0 -0.547 74.6-122.2 -88.3 152.7 -22.6 50.0 104.0 207 210 A D - 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0 0 15 -2,-0.3 4,-2.4 -10,-0.2 3,-0.7 -0.581 33.4-107.0 -73.5 154.2 -14.8 56.4 113.7 230 233 A P H 3> S+ 0 0 22 0, 0.0 4,-2.2 0, 0.0 -85,-0.2 0.912 123.8 53.2 -45.6 -43.4 -17.1 59.5 114.3 231 234 A T H 3> S+ 0 0 13 -87,-1.6 4,-0.6 1,-0.2 -86,-0.1 0.863 109.1 47.5 -65.6 -30.2 -14.4 61.5 112.4 232 235 A D H X4 S+ 0 0 0 -3,-0.7 3,-1.4 -88,-0.2 4,-0.2 0.947 110.4 50.3 -71.6 -46.6 -14.5 59.1 109.4 233 236 A Y H >X S+ 0 0 44 -4,-2.4 3,-2.3 1,-0.3 4,-0.8 0.862 96.8 72.9 -63.3 -30.6 -18.3 59.1 109.3 234 237 A S H >X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.3 3,-0.9 0.837 82.1 72.0 -45.7 -34.7 -18.0 63.0 109.3 235 238 A L H << S+ 0 0 0 -3,-1.4 10,-0.3 -4,-0.6 -1,-0.3 0.678 101.6 40.6 -65.3 -18.1 -16.8 62.8 105.7 236 239 A I H <4 S+ 0 0 38 -3,-2.3 -1,-0.3 -4,-0.2 -2,-0.2 0.544 110.4 58.7-103.8 -5.8 -20.3 61.9 104.5 237 240 A Q H << S+ 0 0 117 -3,-0.9 -2,-0.2 -4,-0.8 -3,-0.1 0.761 94.4 72.1 -85.9 -30.2 -22.1 64.4 106.8 238 241 A D S X S- 0 0 25 -4,-1.9 4,-2.8 1,-0.1 5,-0.2 -0.782 77.1-143.9 -87.0 127.1 -20.3 67.4 105.4 239 242 A P H > S+ 0 0 101 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.830 99.2 47.7 -61.5 -35.7 -21.4 68.4 101.8 240 243 A K H > S+ 0 0 116 2,-0.2 4,-1.2 1,-0.1 3,-0.3 0.974 115.2 45.0 -69.1 -47.6 -17.9 69.5 100.6 241 244 A Y H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 3,-0.4 0.937 108.9 58.4 -62.0 -41.3 -16.2 66.3 102.0 242 245 A L H X S+ 0 0 47 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.883 100.6 53.9 -59.7 -38.5 -19.0 64.0 100.6 243 246 A S H X S+ 0 0 69 -4,-1.4 4,-1.4 -3,-0.3 -1,-0.2 0.920 111.9 46.1 -64.5 -33.4 -18.5 65.2 96.9 244 247 A I H X S+ 0 0 10 -4,-1.2 4,-2.2 -3,-0.4 5,-0.3 0.928 108.7 54.6 -73.4 -43.2 -14.8 64.2 97.2 245 248 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 -10,-0.3 5,-0.2 0.958 109.2 49.6 -51.9 -46.8 -15.6 60.8 98.9 246 249 A K H X S+ 0 0 110 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.880 108.2 54.1 -60.1 -37.9 -17.8 60.0 95.9 247 250 A E H X S+ 0 0 73 -4,-1.4 4,-1.0 -5,-0.2 -1,-0.2 0.949 112.2 41.3 -61.4 -48.5 -15.0 61.0 93.5 248 251 A Y H < S+ 0 0 0 -4,-2.2 7,-0.2 2,-0.2 -2,-0.2 0.856 110.3 57.8 -72.8 -33.5 -12.5 58.6 95.0 249 252 A A H < S+ 0 0 8 -4,-2.6 3,-0.2 -5,-0.3 -1,-0.2 0.903 114.4 39.7 -61.8 -37.8 -15.1 55.8 95.4 250 253 A N H < S+ 0 0 141 -4,-1.9 2,-0.2 -5,-0.2 -1,-0.2 0.618 124.5 36.7 -86.1 -12.8 -15.6 56.1 91.6 251 254 A D X + 0 0 73 -4,-1.0 4,-2.2 -5,-0.1 -1,-0.2 -0.648 51.7 177.3-147.9 92.3 -11.9 56.6 90.7 252 255 A Q H > S+ 0 0 65 -3,-0.2 4,-2.9 -2,-0.2 5,-0.2 0.850 85.8 58.8 -59.7 -36.2 -9.1 54.8 92.5 253 256 A D H > S+ 0 0 117 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.937 106.5 47.0 -61.8 -42.6 -6.5 56.3 90.1 254 257 A K H > S+ 0 0 50 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.934 111.8 51.8 -63.5 -44.5 -7.5 59.9 91.1 255 258 A F H X S+ 0 0 0 -4,-2.2 4,-3.0 -7,-0.2 5,-0.3 0.957 110.6 48.8 -55.7 -47.7 -7.4 58.8 94.8 256 259 A F H X S+ 0 0 31 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.912 111.8 48.1 -58.5 -45.6 -3.9 57.4 94.3 257 260 A K H X S+ 0 0 109 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.946 116.7 42.4 -61.6 -45.4 -2.6 60.6 92.6 258 261 A D H X S+ 0 0 8 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.902 113.6 50.9 -72.5 -39.1 -4.1 62.9 95.3 259 262 A F H X S+ 0 0 1 -4,-3.0 4,-2.7 -5,-0.3 5,-0.3 0.921 107.9 55.0 -60.7 -41.6 -3.0 60.6 98.2 260 263 A S H X S+ 0 0 18 -4,-2.4 4,-2.1 -5,-0.3 5,-0.2 0.973 112.1 42.1 -58.2 -51.5 0.6 60.6 96.7 261 264 A K H X S+ 0 0 113 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.932 117.3 46.5 -59.5 -48.3 0.7 64.5 96.7 262 265 A A H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.868 111.1 50.3 -68.2 -35.2 -0.9 64.9 100.1 263 266 A F H X S+ 0 0 5 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.925 111.1 48.8 -71.0 -41.3 1.2 62.3 101.9 264 267 A E H X S+ 0 0 33 -4,-2.1 4,-1.5 -5,-0.3 -2,-0.2 0.961 111.7 50.8 -60.2 -47.0 4.5 63.7 100.6 265 268 A K H X S+ 0 0 61 -4,-2.3 4,-1.4 -5,-0.2 3,-0.4 0.927 110.0 49.9 -55.3 -44.6 3.3 67.2 101.7 266 269 A L H < S+ 0 0 3 -4,-2.3 -203,-0.3 1,-0.2 3,-0.3 0.903 111.6 47.4 -59.6 -45.4 2.5 65.9 105.2 267 270 A L H < S+ 0 0 3 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.676 117.3 44.1 -70.5 -19.1 5.9 64.2 105.6 268 271 A E H >< S+ 0 0 34 -4,-1.5 3,-1.8 -3,-0.4 -2,-0.2 0.524 78.8 125.3-105.4 -8.9 7.7 67.4 104.4 269 272 A N T 3< S+ 0 0 17 -4,-1.4 -205,-0.4 -3,-0.3 -206,-0.4 -0.261 76.3 22.4 -50.3 133.8 5.9 70.2 106.3 270 273 A G T 3 S+ 0 0 11 1,-0.2 2,-0.5 -208,-0.1 -267,-0.3 0.343 99.3 111.6 91.4 -4.8 8.2 72.3 108.3 271 274 A I < - 0 0 17 -3,-1.8 2,-0.6 -269,-0.1 -1,-0.2 -0.852 54.1-151.6-111.5 127.1 11.3 71.6 106.2 272 275 A T B -a 4 0A 74 -269,-2.9 -267,-2.8 -2,-0.5 -3,-0.0 -0.854 11.3-155.7 -93.9 122.8 13.1 74.0 104.0 273 276 A F - 0 0 47 -2,-0.6 -267,-0.1 -269,-0.2 -269,-0.1 -0.874 10.2-140.1-100.3 116.7 14.8 72.3 101.0 274 277 A P > - 0 0 36 0, 0.0 3,-1.7 0, 0.0 0, 0.0 -0.429 22.5-121.5 -62.5 147.4 17.8 74.3 99.5 275 278 A K T 3 S+ 0 0 184 1,-0.3 4,-0.0 -2,-0.0 -2,-0.0 0.594 112.1 68.6 -78.6 2.9 17.8 74.0 95.6 276 279 A D T 3 S+ 0 0 147 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.751 84.4 104.5 -73.1 -20.1 21.3 72.5 95.8 277 280 A A S < S- 0 0 15 -3,-1.7 -4,-0.0 1,-0.1 -151,-0.0 -0.160 85.9 -93.7 -60.0 146.5 19.4 69.6 97.4 278 281 A P - 0 0 52 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.268 43.6-105.0 -55.0 143.1 18.7 66.3 95.4 279 282 A S - 0 0 94 1,-0.1 -156,-0.1 -155,-0.1 -4,-0.0 -0.296 58.7 -71.4 -54.5 157.2 15.3 66.1 93.6 280 283 A P - 0 0 49 0, 0.0 2,-0.3 0, 0.0 -156,-0.2 -0.255 54.3-122.1 -52.6 134.0 12.8 63.7 95.4 281 284 A F B -C 123 0C 28 -158,-3.1 -158,-2.1 -3,-0.1 2,-0.7 -0.645 13.8-154.3 -78.4 137.4 13.7 60.1 95.1 282 285 A I - 0 0 84 -2,-0.3 2,-0.2 -160,-0.2 -162,-0.0 -0.919 22.3-149.4-106.7 105.7 11.2 57.5 93.5 283 286 A F - 0 0 0 -2,-0.7 2,-0.2 -162,-0.3 -162,-0.1 -0.483 8.6-123.7 -78.4 140.9 12.2 54.1 95.0 284 287 A K - 0 0 106 -2,-0.2 2,-0.1 1,-0.1 -1,-0.1 -0.554 25.3-121.1 -76.0 143.7 11.7 50.9 93.2 285 288 A T > - 0 0 19 -2,-0.2 4,-1.4 1,-0.1 5,-0.2 -0.470 26.7-107.5 -72.2 162.1 9.6 48.1 94.8 286 289 A L H >>>S+ 0 0 1 1,-0.2 5,-2.3 2,-0.2 4,-1.0 0.964 123.5 54.5 -50.9 -42.6 11.2 44.6 95.6 287 290 A E H >45S+ 0 0 150 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.881 104.1 51.7 -60.0 -43.1 9.1 43.4 92.7 288 291 A E H 345S+ 0 0 105 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.2 0.807 113.7 45.6 -67.4 -25.5 10.5 45.9 90.3 289 292 A Q H <<5S- 0 0 62 -4,-1.4 -1,-0.2 -3,-0.7 -2,-0.2 0.543 113.0-115.1 -92.5 -9.0 14.0 44.9 91.2 290 293 A G T <<5 0 0 68 -4,-1.0 -3,-0.2 -3,-0.7 -4,-0.1 0.814 360.0 360.0 77.1 29.8 13.4 41.1 91.1 291 294 A L < 0 0 100 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.637 360.0 360.0-112.2 360.0 14.0 40.7 94.8