==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/ELECTRON TRANSPORT 27-JAN-04 1S6V . COMPND 2 MOLECULE: CYTOCHROME C PEROXIDASE, MITOCHONDRIAL; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR M.GUO,B.BHASKAR,H.LI,T.P.BARROWS,T.L.POULOS . 804 4 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35853.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 490 60.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 2 0.2 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 . 30 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 108 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 275 34.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.5 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 8 0 2 0 6 4 0 3 3 2 1 3 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 7 3 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 0 186 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -51.4 -3.5 34.2 -11.6 2 2 A T - 0 0 113 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.942 360.0 -28.1-177.7 155.8 -2.2 37.8 -11.5 3 3 A P - 0 0 105 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.681 64.7 -84.1 -4.2 147.8 -0.0 40.6 -9.9 4 4 A L - 0 0 92 57,-0.5 2,-0.4 2,-0.0 0, 0.0 -0.364 36.1-176.7 -72.7 135.6 1.2 41.0 -6.4 5 5 A V - 0 0 95 -2,-0.1 2,-0.5 2,-0.0 269,-0.1 -0.978 11.0-156.2-128.9 139.1 -0.7 42.6 -3.5 6 6 A H - 0 0 37 267,-0.5 269,-3.3 -2,-0.4 2,-0.4 -0.946 10.5-156.8-122.2 108.6 0.7 43.1 -0.1 7 7 A V B -a 275 0A 70 -2,-0.5 2,-0.3 267,-0.2 269,-0.2 -0.705 20.4-119.3 -90.1 130.2 -1.8 43.4 2.7 8 8 A A + 0 0 12 267,-3.0 2,-0.4 -2,-0.4 122,-0.2 -0.486 36.3 176.5 -68.3 125.6 -1.0 45.1 5.9 9 9 A S - 0 0 71 120,-2.5 2,-0.5 -2,-0.3 120,-0.2 -0.940 14.6-158.2-133.7 109.3 -1.2 42.7 8.8 10 10 A V - 0 0 60 -2,-0.4 3,-0.1 118,-0.2 4,-0.1 -0.787 34.3-101.3 -91.8 126.9 -0.3 43.9 12.3 11 11 A E > - 0 0 118 -2,-0.5 3,-1.4 90,-0.2 -1,-0.1 0.031 51.5 -80.4 -43.3 147.3 0.6 41.0 14.7 12 12 A K T 3 S+ 0 0 188 1,-0.2 2,-0.3 -3,-0.0 -1,-0.1 -0.084 109.3 0.5 -51.1 146.2 -2.0 40.0 17.2 13 13 A G T 3 S+ 0 0 80 1,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.294 95.2 130.2 58.2 -10.9 -2.4 42.1 20.3 14 14 A R < + 0 0 85 -3,-1.4 2,-0.2 -2,-0.3 -1,-0.2 -0.626 31.6 158.6 -78.0 125.0 0.3 44.5 19.2 15 15 A S >> - 0 0 48 -2,-0.4 4,-1.8 -3,-0.1 3,-0.8 -0.647 54.1 -65.0-133.5-169.2 -0.8 48.1 19.5 16 16 A Y H 3> S+ 0 0 54 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.805 125.7 54.2 -49.7 -40.5 0.4 51.7 19.7 17 17 A E H 3> S+ 0 0 119 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.875 107.3 53.1 -66.7 -33.8 2.0 51.3 23.1 18 18 A D H <> S+ 0 0 27 -3,-0.8 4,-1.3 1,-0.2 3,-0.2 0.952 111.4 43.3 -64.8 -49.4 4.0 48.4 21.8 19 19 A F H X S+ 0 0 3 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.804 109.3 57.3 -67.8 -29.5 5.4 50.4 18.8 20 20 A Q H X S+ 0 0 11 -4,-2.0 4,-2.7 -5,-0.2 -1,-0.2 0.833 103.5 55.6 -69.0 -31.5 6.1 53.4 21.0 21 21 A K H X S+ 0 0 110 -4,-1.4 4,-1.8 -3,-0.2 -2,-0.2 0.891 108.9 46.0 -66.9 -37.8 8.2 51.1 23.1 22 22 A V H X S+ 0 0 0 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.916 111.2 52.2 -69.5 -44.2 10.3 50.2 20.0 23 23 A Y H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.943 110.1 49.0 -55.0 -50.6 10.5 53.9 19.0 24 24 A N H X S+ 0 0 3 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.894 107.9 54.8 -57.1 -42.6 11.8 54.7 22.5 25 25 A A H X S+ 0 0 13 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.871 112.1 43.3 -58.8 -41.1 14.3 51.9 22.3 26 26 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.930 114.2 49.7 -71.1 -44.9 15.7 53.3 19.0 27 27 A A H X S+ 0 0 1 -4,-3.0 4,-1.1 2,-0.2 -2,-0.2 0.858 111.9 49.3 -62.9 -34.9 15.7 56.8 20.3 28 28 A L H >X S+ 0 0 26 -4,-2.8 4,-2.5 -5,-0.2 3,-0.6 0.934 111.5 47.0 -70.3 -46.2 17.5 55.8 23.5 29 29 A K H 3X S+ 0 0 13 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.887 106.0 60.7 -62.6 -36.7 20.2 53.8 21.6 30 30 A L H 3< S+ 0 0 24 -4,-2.7 12,-0.3 1,-0.2 -1,-0.2 0.863 111.4 40.3 -57.6 -34.7 20.5 56.8 19.3 31 31 A R H X< S+ 0 0 107 -4,-1.1 3,-0.5 -3,-0.6 -2,-0.2 0.864 116.7 48.4 -79.7 -40.2 21.5 58.9 22.4 32 32 A E H 3< S+ 0 0 56 -4,-2.5 2,-1.2 1,-0.3 3,-0.2 0.926 112.3 46.2 -67.3 -48.9 23.7 56.2 24.0 33 33 A D T 3< S+ 0 0 14 -4,-2.8 3,-0.5 1,-0.2 9,-0.4 -0.446 73.6 141.3 -96.6 66.4 25.8 55.2 21.0 34 34 A D < + 0 0 42 -2,-1.2 -1,-0.2 -3,-0.5 -2,-0.1 0.474 46.7 78.3 -85.6 -6.8 26.5 58.8 20.0 35 35 A E > + 0 0 78 -3,-0.2 4,-2.3 4,-0.1 3,-0.4 0.707 62.7 123.9 -76.2 -22.6 30.1 58.5 18.8 36 36 A Y H >>S+ 0 0 43 -3,-0.5 5,-2.5 1,-0.2 4,-1.0 -0.045 79.2 3.1 -45.3 133.2 29.3 57.0 15.4 37 37 A D H >45S- 0 0 35 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.934 139.2 -46.9 54.4 57.2 30.7 58.8 12.4 38 38 A N H 345S- 0 0 138 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.911 111.2 -53.0 51.6 48.6 32.5 61.5 14.4 39 39 A Y H 3<5S+ 0 0 45 -4,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.624 106.6 119.4 64.9 16.4 29.5 62.1 16.6 40 40 A I T <<5 - 0 0 17 -3,-1.1 3,-0.3 -4,-1.0 -3,-0.2 0.875 69.4-145.8 -72.2 -33.5 27.0 62.7 13.9 41 41 A G < - 0 0 8 -5,-2.5 4,-0.4 1,-0.2 -7,-0.1 -0.205 26.2 -70.8 90.6 171.0 25.3 59.7 15.5 42 42 A Y S > S+ 0 0 44 -9,-0.4 4,-1.7 -12,-0.3 5,-0.2 0.401 102.4 98.6 -84.5 1.3 23.2 57.0 13.7 43 43 A G H > S+ 0 0 4 -3,-0.3 4,-1.9 1,-0.2 3,-0.4 0.953 83.1 45.0 -56.6 -54.5 20.3 59.2 12.9 44 44 A P H > S+ 0 0 15 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.918 112.0 50.0 -58.6 -45.2 21.2 60.0 9.3 45 45 A V H > S+ 0 0 15 -4,-0.4 4,-1.8 1,-0.2 -2,-0.2 0.836 109.5 54.0 -64.8 -26.1 22.2 56.4 8.3 46 46 A L H X S+ 0 0 1 -4,-1.7 4,-2.4 -3,-0.4 -1,-0.2 0.879 108.8 47.9 -71.8 -38.9 18.9 55.2 9.7 47 47 A V H X S+ 0 0 7 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.936 112.5 48.7 -66.3 -43.7 16.9 57.6 7.6 48 48 A R H X S+ 0 0 69 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.858 110.2 53.6 -63.0 -33.6 19.0 56.6 4.5 49 49 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.2 5,-0.3 0.948 107.7 48.0 -66.8 -49.5 18.2 53.0 5.5 50 50 A A H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.922 115.9 46.9 -56.9 -42.4 14.4 53.5 5.6 51 51 A W H X S+ 0 0 45 -4,-2.3 4,-3.6 1,-0.2 -2,-0.2 0.954 112.2 47.2 -67.6 -45.9 14.7 55.3 2.2 52 52 A H H < S+ 0 0 15 -4,-3.1 4,-0.2 1,-0.2 -1,-0.2 0.830 112.6 49.0 -67.3 -30.5 16.9 52.7 0.5 53 53 A T H < S+ 0 0 6 -4,-2.2 3,-0.2 -5,-0.2 -1,-0.2 0.795 119.8 38.2 -78.5 -27.2 14.7 49.8 1.7 54 54 A S H >< S+ 0 0 1 -4,-1.4 3,-1.7 -5,-0.3 -2,-0.2 0.835 105.2 68.9 -87.5 -34.8 11.6 51.6 0.5 55 55 A G T 3< S+ 0 0 0 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.1 0.486 78.3 78.6 -64.8 -3.5 13.1 53.0 -2.7 56 56 A T T 3 S+ 0 0 4 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.599 70.7 121.0 -81.2 -4.9 13.4 49.7 -4.4 57 57 A W < - 0 0 22 -3,-1.7 2,-0.5 7,-0.2 7,-0.2 -0.273 47.7-162.9 -63.7 138.3 9.7 49.9 -5.2 58 58 A D B >>> -B 63 0B 35 5,-2.1 4,-1.6 1,-0.1 3,-1.3 -0.965 6.9-157.8-122.6 109.6 8.5 49.8 -8.8 59 59 A K T 345S+ 0 0 80 101,-2.0 -1,-0.1 -2,-0.5 102,-0.1 0.650 85.4 68.5 -62.2 -14.4 4.9 51.0 -9.1 60 60 A H T 345S+ 0 0 143 1,-0.2 -1,-0.3 100,-0.1 -3,-0.0 0.776 122.4 6.8 -81.1 -26.9 4.5 49.2 -12.3 61 61 A D T <45S- 0 0 78 -3,-1.3 -57,-0.5 2,-0.1 -2,-0.2 0.267 97.0-118.4-135.2 8.5 4.6 45.6 -10.9 62 62 A N T <5 + 0 0 25 -4,-1.6 2,-0.2 1,-0.2 -3,-0.2 0.795 61.6 147.1 55.7 35.2 4.6 46.3 -7.2 63 63 A T B < +B 58 0B 33 -5,-0.8 -5,-2.1 -7,-0.1 -1,-0.2 -0.615 51.1 10.2 -93.0 159.6 8.0 44.6 -6.7 64 64 A G S S+ 0 0 15 73,-0.4 3,-0.3 -7,-0.2 4,-0.2 -0.269 72.0 125.0 70.9-159.3 10.4 45.9 -4.0 65 65 A G S S- 0 0 4 -12,-0.2 5,-0.3 1,-0.2 3,-0.3 -0.213 77.7 -68.3 92.2 171.8 9.3 48.4 -1.4 66 66 A S S > S+ 0 0 4 206,-0.4 3,-0.6 203,-0.3 -1,-0.2 0.588 107.2 88.9 -75.2 -17.9 9.4 48.3 2.4 67 67 A Y T 3 S+ 0 0 25 205,-0.4 38,-0.4 -3,-0.3 -1,-0.2 0.912 90.4 37.6 -49.5 -60.7 6.8 45.5 2.8 68 68 A G T 3 S- 0 0 7 -3,-0.3 65,-1.6 -4,-0.2 -1,-0.2 0.584 89.5-139.3 -72.7 -14.0 8.9 42.4 2.6 69 69 A G X + 0 0 4 -3,-0.6 3,-1.5 -4,-0.3 -3,-0.1 0.786 42.4 159.1 58.8 30.0 12.0 43.7 4.5 70 70 A T G > + 0 0 6 -5,-0.3 3,-2.2 1,-0.3 6,-0.4 0.479 47.1 91.2 -64.6 -6.0 14.2 41.9 2.0 71 71 A Y G 3 S+ 0 0 1 1,-0.3 -1,-0.3 5,-0.1 6,-0.1 0.742 74.7 72.2 -62.4 -19.6 17.3 44.0 2.8 72 72 A R G < S+ 0 0 76 -3,-1.5 2,-0.3 4,-0.1 -1,-0.3 0.694 84.3 87.1 -70.1 -14.3 18.1 41.3 5.3 73 73 A F S X> S- 0 0 34 -3,-2.2 4,-2.4 1,-0.1 3,-0.7 -0.660 90.1-112.5 -91.4 145.1 18.9 39.0 2.4 74 74 A K H 3> S+ 0 0 124 -2,-0.3 4,-2.7 1,-0.2 5,-0.1 0.784 107.6 55.5 -32.4 -63.0 22.4 38.8 0.8 75 75 A K H 34 S+ 0 0 78 1,-0.2 -1,-0.2 2,-0.2 -4,-0.1 0.862 117.0 33.2 -48.1 -50.1 21.7 40.2 -2.6 76 76 A E H X4 S+ 0 0 5 -3,-0.7 3,-1.7 -6,-0.4 -1,-0.2 0.870 113.4 60.5 -78.0 -37.5 20.1 43.5 -1.4 77 77 A F H 3< S+ 0 0 50 -4,-2.4 -2,-0.2 -7,-0.3 -1,-0.2 0.901 112.2 40.8 -54.8 -41.3 22.4 43.7 1.6 78 78 A N T 3< S+ 0 0 94 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.217 78.3 132.5 -96.5 14.9 25.4 43.8 -0.8 79 79 A D X - 0 0 7 -3,-1.7 3,-2.3 1,-0.2 -3,-0.1 -0.486 60.7-135.6 -60.1 127.2 23.8 46.1 -3.4 80 80 A P G > S+ 0 0 96 0, 0.0 3,-2.1 0, 0.0 -1,-0.2 0.852 104.5 67.7 -59.7 -26.5 26.7 48.5 -4.0 81 81 A S G 3 S+ 0 0 42 1,-0.3 -2,-0.1 3,-0.0 -3,-0.0 0.682 98.6 54.2 -62.5 -17.4 24.1 51.3 -3.8 82 82 A N G X S+ 0 0 0 -3,-2.3 3,-2.5 -6,-0.2 4,-0.4 0.170 73.4 146.3-102.2 14.1 23.7 50.3 -0.2 83 83 A A T < S+ 0 0 25 -3,-2.1 -5,-0.1 1,-0.3 101,-0.1 -0.307 73.9 18.4 -55.3 122.1 27.4 50.6 0.9 84 84 A G T > S+ 0 0 5 -2,-0.1 3,-1.5 99,-0.1 4,-0.4 0.124 93.7 102.6 104.3 -22.2 27.5 51.8 4.5 85 85 A L T X> + 0 0 0 -3,-2.5 4,-2.2 1,-0.3 3,-0.7 0.714 61.2 81.3 -68.7 -16.2 24.0 50.9 5.3 86 86 A Q H 3> S+ 0 0 49 -4,-0.4 4,-2.8 1,-0.3 -1,-0.3 0.812 85.3 62.9 -57.2 -25.8 25.3 47.8 7.1 87 87 A N H <> S+ 0 0 40 -3,-1.5 4,-2.1 2,-0.2 -1,-0.3 0.929 103.4 44.1 -66.1 -45.5 25.9 50.3 9.9 88 88 A G H <> S+ 0 0 0 -3,-0.7 4,-2.1 -4,-0.4 -1,-0.2 0.884 112.1 54.4 -66.5 -37.1 22.2 51.0 10.3 89 89 A F H X S+ 0 0 64 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.967 109.8 46.2 -60.6 -48.8 21.4 47.3 10.1 90 90 A K H < S+ 0 0 109 -4,-2.8 -1,-0.2 1,-0.2 3,-0.2 0.870 108.4 57.1 -61.4 -37.3 23.8 46.6 12.9 91 91 A F H < S+ 0 0 4 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.905 111.0 43.1 -59.0 -43.3 22.4 49.4 15.0 92 92 A L H X S+ 0 0 3 -4,-2.1 4,-2.5 -3,-0.2 5,-0.2 0.692 92.1 84.7 -79.3 -19.8 18.9 47.9 14.7 93 93 A E H X S+ 0 0 55 -4,-1.4 4,-2.1 1,-0.2 5,-0.2 0.930 93.1 44.6 -47.5 -59.5 19.9 44.2 15.4 94 94 A P H > S+ 0 0 29 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.878 111.8 55.1 -56.7 -34.3 19.8 44.5 19.2 95 95 A I H > S+ 0 0 7 -4,-0.5 4,-1.5 1,-0.2 -2,-0.2 0.913 107.8 47.9 -63.6 -45.2 16.6 46.4 18.9 96 96 A H H < S+ 0 0 51 -4,-2.5 -1,-0.2 1,-0.2 6,-0.2 0.846 108.9 54.8 -65.1 -34.8 15.0 43.6 16.9 97 97 A K H < S+ 0 0 109 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.869 108.6 47.7 -67.2 -35.4 16.3 41.0 19.4 98 98 A E H < S+ 0 0 91 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.799 124.7 33.3 -73.3 -28.4 14.6 42.9 22.3 99 99 A F S >< S+ 0 0 17 -4,-1.5 3,-1.4 -5,-0.2 -1,-0.3 -0.589 70.4 165.6-130.3 71.4 11.4 43.1 20.2 100 100 A P T 3 + 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.627 68.8 67.3 -57.4 -24.3 11.3 39.8 18.2 101 101 A W T 3 S+ 0 0 51 -3,-0.1 2,-0.2 2,-0.1 -90,-0.2 0.698 77.5 95.7 -76.9 -20.7 7.7 40.2 17.2 102 102 A I S < S- 0 0 6 -3,-1.4 -3,-0.1 -6,-0.2 -92,-0.0 -0.513 79.0-118.4 -75.4 139.9 8.2 43.3 15.0 103 103 A S > - 0 0 17 27,-0.2 4,-2.0 -2,-0.2 5,-0.1 -0.324 20.3-117.6 -69.6 158.6 8.6 42.6 11.3 104 104 A S H > S+ 0 0 9 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.937 115.5 47.0 -63.4 -47.6 11.8 43.6 9.5 105 105 A G H > S+ 0 0 1 -38,-0.4 4,-2.1 1,-0.2 5,-0.3 0.878 111.1 52.6 -64.4 -36.4 10.2 46.1 7.2 106 106 A D H > S+ 0 0 7 24,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.910 112.4 46.0 -65.4 -37.2 8.3 47.5 10.1 107 107 A L H X S+ 0 0 2 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.936 111.3 49.5 -72.1 -44.0 11.6 48.0 12.0 108 108 A F H X S+ 0 0 4 -4,-3.2 4,-1.3 1,-0.2 -2,-0.2 0.932 116.3 42.9 -60.9 -43.8 13.5 49.5 9.1 109 109 A S H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.896 112.3 51.8 -69.7 -39.6 10.8 52.1 8.4 110 110 A L H X S+ 0 0 0 -4,-2.1 4,-3.2 -5,-0.3 5,-0.2 0.872 104.0 60.4 -65.8 -32.5 10.2 52.9 12.1 111 111 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.906 106.2 45.9 -59.6 -42.8 13.9 53.5 12.4 112 112 A G H X S+ 0 0 0 -4,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.895 113.2 49.2 -66.6 -42.1 13.7 56.2 9.8 113 113 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.935 112.7 47.4 -61.9 -47.5 10.7 57.8 11.4 114 114 A T H X S+ 0 0 0 -4,-3.2 4,-3.1 1,-0.2 5,-0.2 0.935 111.5 50.7 -61.7 -44.2 12.3 57.7 14.9 115 115 A A H X S+ 0 0 0 -4,-2.3 4,-0.9 -5,-0.2 -1,-0.2 0.906 110.6 48.8 -62.4 -40.9 15.5 59.2 13.5 116 116 A V H ><>S+ 0 0 0 -4,-2.2 5,-2.3 2,-0.2 3,-0.6 0.950 115.4 43.8 -64.3 -47.2 13.7 62.1 11.8 117 117 A Q H ><5S+ 0 0 4 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.928 111.8 51.7 -65.2 -42.4 11.6 62.9 14.9 118 118 A E H 3<5S+ 0 0 41 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.653 103.5 59.4 -71.7 -11.4 14.5 62.6 17.4 119 119 A M T <<5S- 0 0 13 -4,-0.9 79,-3.1 -3,-0.6 -1,-0.3 0.111 126.8-101.3-101.0 22.3 16.5 65.0 15.2 120 120 A Q T < 5S+ 0 0 93 -3,-1.7 -3,-0.2 77,-0.2 -2,-0.2 0.689 78.9 137.2 69.8 23.9 13.8 67.6 15.7 121 121 A G < - 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0 0 44 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.301 26.4-127.5 -68.8 142.5 19.2 56.4 -8.1 146 146 A D > - 0 0 82 1,-0.1 3,-0.6 -2,-0.1 -65,-0.0 -0.673 14.2-151.1 -81.2 136.3 22.6 57.3 -9.6 147 147 A A T 3 S+ 0 0 25 -2,-0.3 87,-1.9 1,-0.2 88,-0.2 0.619 84.6 73.0 -87.0 -12.6 23.8 60.6 -8.1 148 148 A D T 3 S+ 0 0 95 85,-0.2 -1,-0.2 84,-0.1 2,-0.1 0.251 84.5 96.2 -87.5 17.4 25.9 61.7 -11.1 149 149 A K < - 0 0 80 -3,-0.6 88,-0.2 1,-0.1 2,-0.1 -0.271 67.2-110.4-101.9-174.5 22.7 62.5 -13.1 150 150 A D > - 0 0 78 -2,-0.1 4,-2.3 86,-0.1 3,-0.3 -0.428 38.6 -86.5-111.0-178.7 20.5 65.5 -14.0 151 151 A A H > S+ 0 0 7 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.833 123.3 54.5 -57.0 -40.3 17.0 66.9 -13.2 152 152 A D H > S+ 0 0 104 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.871 110.2 48.1 -63.3 -37.6 15.4 65.0 -16.0 153 153 A Y H > S+ 0 0 53 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.911 111.6 49.2 -68.4 -44.0 16.8 61.8 -14.6 154 154 A V H X S+ 0 0 6 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.940 112.1 48.9 -58.4 -47.9 15.7 62.7 -11.1 155 155 A R H X S+ 0 0 50 -4,-2.8 4,-1.1 1,-0.2 -2,-0.2 0.935 115.5 42.0 -60.0 -48.4 12.1 63.4 -12.3 156 156 A T H X S+ 0 0 80 -4,-2.2 4,-0.7 2,-0.2 -1,-0.2 0.862 112.6 54.9 -72.5 -31.9 11.8 60.3 -14.3 157 157 A F H >< S+ 0 0 16 -4,-2.6 3,-1.9 -5,-0.2 4,-0.4 0.985 108.5 47.1 -62.8 -51.5 13.4 58.2 -11.6 158 158 A F H ><>S+ 0 0 10 -4,-2.7 5,-2.3 1,-0.3 3,-1.1 0.709 95.7 73.8 -64.9 -16.9 11.0 59.3 -9.0 159 159 A Q H ><5S+ 0 0 100 -4,-1.1 3,-1.8 1,-0.3 -1,-0.3 0.864 89.2 61.6 -63.0 -30.1 8.0 58.7 -11.2 160 160 A R T <<5S+ 0 0 39 -3,-1.9 -101,-2.0 -4,-0.7 -1,-0.3 0.783 104.0 47.8 -68.3 -20.5 8.7 55.1 -10.6 161 161 A L T < 5S- 0 0 0 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.189 119.6-111.3 -98.2 11.3 7.9 55.7 -6.8 162 162 A N T < 5 + 0 0 84 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.836 69.8 147.5 62.4 32.8 4.8 57.7 -7.7 163 163 A M < - 0 0 9 -5,-2.3 -1,-0.2 -8,-0.1 -2,-0.1 -0.850 33.6-154.0-106.4 138.5 6.4 60.9 -6.6 164 164 A N > - 0 0 85 -2,-0.4 4,-2.9 -3,-0.1 5,-0.2 -0.354 40.0 -85.1 -99.2 178.7 5.7 64.4 -8.1 165 165 A D H > S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.881 128.0 47.4 -49.1 -48.9 7.9 67.5 -8.2 166 166 A R H > S+ 0 0 73 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.940 113.8 46.4 -62.1 -48.2 6.8 68.7 -4.8 167 167 A E H > S+ 0 0 36 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.899 112.6 51.4 -64.0 -39.0 7.3 65.3 -3.2 168 168 A V H X S+ 0 0 2 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.931 111.9 44.6 -63.2 -50.2 10.7 64.9 -4.9 169 169 A V H X S+ 0 0 0 -4,-2.5 4,-0.7 -5,-0.2 -1,-0.2 0.898 115.3 49.1 -62.3 -41.0 12.1 68.2 -3.7 170 170 A A H >< S+ 0 0 0 -4,-2.3 3,-1.3 -5,-0.2 -2,-0.2 0.946 110.7 49.1 -64.8 -48.4 10.7 67.7 -0.2 171 171 A L H >< S+ 0 0 15 -4,-2.8 3,-1.8 1,-0.3 -1,-0.2 0.865 104.8 59.8 -60.8 -34.6 12.2 64.2 0.2 172 172 A M H >< S+ 0 0 20 -4,-2.0 3,-2.2 1,-0.3 -1,-0.3 0.713 84.7 78.7 -67.9 -19.3 15.6 65.5 -1.0 173 173 A G G X< S+ 0 0 0 -3,-1.3 3,-1.5 -4,-0.7 29,-0.3 0.608 71.2 82.8 -63.5 -10.4 15.6 67.9 1.9 174 174 A A G X + 0 0 18 -3,-1.8 3,-2.5 1,-0.3 -1,-0.3 0.730 69.5 82.5 -65.9 -16.7 16.6 64.8 4.0 175 175 A H G < + 0 0 44 -3,-2.2 16,-0.4 1,-0.3 -1,-0.3 0.493 66.4 82.6 -67.2 2.8 20.2 65.6 2.7 176 176 A A G < S+ 0 0 2 -3,-1.5 -1,-0.3 23,-0.2 2,-0.2 0.827 85.0 80.4 -68.0 -27.3 20.3 68.2 5.5 177 177 A L S < S- 0 0 9 -3,-2.5 19,-0.2 -4,-0.2 18,-0.1 -0.547 98.7 -28.6 -86.5 139.9 21.3 65.0 7.5 178 178 A G S S- 0 0 3 17,-3.0 13,-0.5 -2,-0.2 14,-0.3 -0.265 74.9 -95.7 64.7-145.6 24.6 63.3 7.6 179 179 A K - 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0 0 11 -3,-2.9 -1,-0.2 1,-0.1 7,-0.2 -0.159 47.0 -93.7 -57.6 160.9 40.6 83.2 15.6 325 25 B P - 0 0 77 0, 0.0 -6,-0.3 0, 0.0 2,-0.1 -0.405 27.3-117.2 -81.7 153.3 38.0 83.1 12.8 326 26 B H + 0 0 67 -2,-0.1 2,-0.1 5,-0.1 -8,-0.1 -0.451 40.7 167.8 -76.8 160.0 34.3 82.7 12.9 327 27 B K - 0 0 96 2,-2.5 -10,-0.1 -10,-0.4 -9,-0.1 -0.298 67.9 -32.2-142.3-131.0 33.1 79.5 11.2 328 28 B V S S+ 0 0 60 -12,-0.3 -10,-0.1 -2,-0.1 -11,-0.1 0.943 140.7 28.2 -61.1 -41.4 29.7 77.8 11.4 329 29 B G S S- 0 0 5 -12,-2.4 -2,-2.5 1,-0.1 -10,-0.2 -0.728 104.3 -79.9-115.6 166.8 29.7 79.3 14.9 330 30 B P - 0 0 16 0, 0.0 2,-0.1 0, 0.0 -11,-0.1 -0.256 47.8-103.1 -64.1 145.2 31.3 82.3 16.6 331 31 B N - 0 0 14 -7,-0.2 -11,-0.2 -13,-0.2 -5,-0.1 -0.468 32.0-146.4 -64.8 139.9 35.0 82.2 17.7 332 32 B L > + 0 0 24 -13,-2.6 3,-2.2 -2,-0.1 4,-0.2 0.392 48.7 132.1 -96.4 3.3 34.8 81.7 21.4 333 33 B H T 3 S+ 0 0 37 -12,-0.3 69,-0.1 1,-0.3 -12,-0.1 -0.337 82.5 10.6 -59.8 133.2 37.8 83.7 22.6 334 34 B G T 3 S+ 0 0 22 -14,-0.2 -1,-0.3 65,-0.1 -2,-0.1 0.591 85.4 140.9 76.1 12.0 36.9 85.9 25.5 335 35 B I X + 0 0 14 -3,-2.2 3,-1.5 63,-0.1 2,-0.4 0.855 48.6 77.0 -56.1 -41.3 33.5 84.2 25.8 336 36 B F T 3 S+ 0 0 48 1,-0.2 24,-0.2 -4,-0.2 3,-0.1 -0.603 102.5 22.4 -75.8 125.5 33.4 84.2 29.6 337 37 B G T 3 S+ 0 0 56 22,-2.6 2,-0.3 1,-0.5 -1,-0.2 0.462 105.4 99.3 100.0 1.0 32.5 87.6 30.9 338 38 B R S < S- 0 0 65 -3,-1.5 21,-2.5 21,-0.2 -1,-0.5 -0.833 76.6-108.8-117.2 156.6 30.8 88.7 27.7 339 39 B H B > -G 358 0F 73 -2,-0.3 3,-1.0 19,-0.3 19,-0.2 -0.589 44.0 -91.6 -84.7 151.1 27.1 88.8 26.9 340 40 B S T 3 S+ 0 0 0 17,-2.0 16,-0.2 1,-0.2 -1,-0.1 -0.231 109.0 21.8 -58.7 145.3 25.7 86.3 24.5 341 41 B G T 3 S+ 0 0 11 -3,-0.1 -1,-0.2 1,-0.1 7,-0.2 0.751 91.4 109.0 69.6 25.9 25.5 87.4 20.9 342 42 B Q < + 0 0 104 -3,-1.0 2,-0.5 2,-0.1 -2,-0.1 0.455 30.0 126.5-112.3 -1.6 28.2 90.0 21.2 343 43 B A > - 0 0 8 -4,-0.1 3,-1.7 1,-0.1 5,-0.1 -0.424 67.4-120.4 -59.7 111.8 31.1 88.4 19.3 344 44 B E T 3 S+ 0 0 179 -2,-0.5 -1,-0.1 1,-0.2 3,-0.1 -0.277 91.7 20.6 -57.7 131.4 32.0 91.2 16.8 345 45 B G T 3 S+ 0 0 67 1,-0.2 2,-0.4 -15,-0.0 -1,-0.2 0.448 96.3 111.4 91.3 0.4 31.6 90.2 13.2 346 46 B Y < - 0 0 41 -3,-1.7 2,-1.1 -15,-0.1 -1,-0.2 -0.903 64.8-132.0-113.3 138.6 29.3 87.2 13.7 347 47 B S - 0 0 93 -2,-0.4 2,-0.1 -3,-0.1 -3,-0.0 -0.724 34.3-168.3 -88.1 97.5 25.7 86.9 12.6 348 48 B Y - 0 0 44 -2,-1.1 2,-0.1 -7,-0.2 -19,-0.0 -0.379 25.9-100.6 -83.6 163.5 23.8 85.6 15.6 349 49 B T > - 0 0 22 1,-0.1 4,-1.6 -2,-0.1 5,-0.2 -0.386 31.9-117.6 -75.8 158.7 20.4 84.3 15.8 350 50 B D H > S+ 0 0 123 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.917 114.6 54.2 -64.8 -42.8 17.9 86.7 17.2 351 51 B A H > S+ 0 0 31 26,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.898 104.5 52.7 -60.9 -42.4 17.2 84.4 20.1 352 52 B N H >> S+ 0 0 15 1,-0.2 3,-0.7 2,-0.2 4,-0.6 0.956 111.4 45.4 -59.8 -51.0 20.9 84.1 21.2 353 53 B I H >< S+ 0 0 65 -4,-1.6 3,-1.2 1,-0.2 -1,-0.2 0.902 110.8 53.3 -60.5 -42.0 21.4 87.9 21.4 354 54 B K H 3< S+ 0 0 173 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.690 92.9 71.1 -67.7 -21.8 18.1 88.4 23.3 355 55 B K H << S- 0 0 84 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.828 80.5-171.1 -61.2 -30.1 19.1 85.8 25.9 356 56 B N << + 0 0 93 -3,-1.2 2,-0.4 -4,-0.6 -3,-0.1 0.833 15.5 169.7 38.3 49.0 21.5 88.6 26.9 357 57 B V - 0 0 11 -5,-0.4 -17,-2.0 6,-0.0 2,-1.1 -0.764 37.2-136.1 -92.1 131.4 23.3 86.2 29.3 358 58 B L B -G 339 0F 86 -2,-0.4 -19,-0.3 -19,-0.2 5,-0.2 -0.771 37.5-125.5 -83.4 102.5 26.6 87.3 30.7 359 59 B W + 0 0 11 -21,-2.5 -22,-2.6 -2,-1.1 2,-0.3 -0.271 43.7 156.1 -59.3 129.6 28.5 84.1 30.3 360 60 B D > - 0 0 67 -24,-0.2 4,-2.0 -23,-0.1 5,-0.3 -0.872 58.1 -88.2-139.9 174.4 30.1 82.4 33.3 361 61 B E H > S+ 0 0 66 -2,-0.3 4,-1.1 1,-0.2 -62,-0.1 0.798 122.0 48.8 -56.2 -31.3 31.1 78.9 34.2 362 62 B N H > S+ 0 0 54 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.957 113.1 39.4 -80.1 -51.6 27.8 78.1 35.7 363 63 B N H > S+ 0 0 21 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.800 113.0 59.6 -70.6 -20.7 25.3 79.3 33.0 364 64 B M H X S+ 0 0 10 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.907 105.6 48.7 -68.8 -38.9 27.7 77.9 30.4 365 65 B S H X S+ 0 0 0 -4,-1.1 4,-1.0 -5,-0.3 -2,-0.2 0.932 111.9 48.5 -64.4 -41.9 27.2 74.5 32.1 366 66 B E H >X S+ 0 0 46 -4,-2.1 4,-1.0 1,-0.2 3,-0.6 0.932 112.6 49.3 -62.1 -46.5 23.4 75.0 32.1 367 67 B Y H >< S+ 0 0 18 -4,-3.0 3,-0.9 1,-0.2 7,-0.3 0.950 109.3 49.9 -57.5 -52.6 23.6 76.0 28.4 368 68 B L H 3< S+ 0 0 13 -4,-2.8 17,-2.9 1,-0.3 -1,-0.2 0.653 98.7 67.7 -66.8 -13.7 25.7 73.0 27.3 369 69 B T H << S- 0 0 40 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.895 131.2 -9.8 -70.7 -38.7 23.4 70.6 29.0 370 70 B N S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 3,-0.2 0.900 86.7 46.8 -49.6 -55.1 21.3 74.4 24.2 372 72 B K H 4 S+ 0 0 59 10,-0.4 6,-0.1 1,-0.2 5,-0.1 0.825 111.4 55.1 -61.1 -31.4 17.9 74.8 22.6 373 73 B K H 4 S+ 0 0 100 -3,-0.3 -1,-0.2 1,-0.2 -6,-0.1 0.912 113.5 38.8 -67.1 -41.5 16.3 74.5 26.0 374 74 B Y H < S+ 0 0 27 -4,-1.9 -2,-0.2 -7,-0.3 -1,-0.2 0.825 133.5 24.7 -78.8 -34.7 18.3 77.4 27.4 375 75 B I S >< S- 0 0 1 -4,-2.7 3,-2.2 -5,-0.2 -1,-0.3 -0.657 86.6-151.5-131.1 75.6 18.1 79.5 24.3 376 76 B P T 3 S+ 0 0 92 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.166 81.9 20.8 -48.2 131.7 15.0 78.4 22.4 377 77 B G T 3 S+ 0 0 52 1,-0.3 -26,-0.3 -5,-0.1 -25,-0.2 0.495 82.4 149.5 87.0 0.8 15.5 78.9 18.7 378 78 B T < - 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