==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE (H2O2(A)) 17-MAR-95 3CCX . COMPND 2 MOLECULE: CYTOCHROME C PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR S.K.WILCOX,G.M.JENSEN,M.M.FITZGERALD,D.E.MCREE,D.B.GOODIN . 291 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13071.0 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 . 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 . 103 35.4 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 0 127 0, 0.0 2,-0.4 0, 0.0 269,-0.0 0.000 360.0 360.0 360.0 130.7 12.4 78.2 113.7 2 5 A V - 0 0 109 2,-0.0 2,-0.4 269,-0.0 269,-0.1 -0.898 360.0-163.8-105.1 145.0 13.9 77.4 110.2 3 6 A H - 0 0 26 -2,-0.4 269,-3.2 267,-0.1 2,-0.4 -0.869 8.6-166.8-128.2 101.3 14.6 73.7 109.4 4 7 A V B -a 272 0A 71 -2,-0.4 2,-0.4 267,-0.2 269,-0.2 -0.724 22.2-120.8 -94.3 130.3 17.0 73.4 106.4 5 8 A A - 0 0 13 267,-2.7 2,-0.5 -2,-0.4 122,-0.2 -0.571 28.4-171.9 -70.2 125.6 17.3 70.0 104.8 6 9 A S - 0 0 75 120,-2.5 120,-0.2 -2,-0.4 3,-0.1 -0.937 23.1-126.4-118.4 110.4 20.9 68.6 104.8 7 10 A V - 0 0 53 -2,-0.5 3,-0.2 118,-0.1 5,-0.0 -0.281 37.3 -99.6 -49.4 130.1 21.7 65.4 102.8 8 11 A E > - 0 0 19 1,-0.2 3,-2.3 2,-0.1 -1,-0.1 -0.341 63.4 -81.5 -51.6 128.7 23.4 62.7 105.0 9 12 A K T 3 S- 0 0 201 1,-0.3 -1,-0.2 89,-0.1 -3,-0.0 -0.067 103.8 -9.7 -58.4 117.5 27.0 63.1 104.0 10 13 A G T 3 S+ 0 0 77 1,-0.2 -1,-0.3 -3,-0.2 2,-0.2 0.453 95.8 135.4 84.4 2.8 28.0 61.5 100.8 11 14 A R < - 0 0 90 -3,-2.3 2,-0.2 3,-0.0 -1,-0.2 -0.514 28.5-178.0 -85.8 144.2 24.8 59.5 100.3 12 15 A S >> - 0 0 51 -2,-0.2 4,-1.4 -5,-0.0 3,-1.1 -0.758 47.9 -72.6-124.6-175.1 23.0 59.2 96.9 13 16 A Y H 3> S+ 0 0 64 1,-0.2 4,-2.6 -2,-0.2 5,-0.2 0.863 126.5 56.0 -39.9 -52.8 19.8 57.6 95.4 14 17 A E H 3> S+ 0 0 111 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.810 102.3 54.2 -58.9 -34.6 21.3 54.1 95.7 15 18 A D H <> S+ 0 0 31 -3,-1.1 4,-1.3 2,-0.2 -1,-0.2 0.953 112.3 43.7 -66.0 -44.0 22.0 54.3 99.4 16 19 A F H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 3,-0.3 0.914 107.8 59.4 -67.4 -40.3 18.4 55.2 100.2 17 20 A Q H X S+ 0 0 16 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.895 104.5 51.9 -54.1 -36.6 17.1 52.5 97.7 18 21 A K H X S+ 0 0 103 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.873 107.7 49.6 -68.5 -36.9 19.0 49.9 99.9 19 22 A V H X S+ 0 0 0 -4,-1.3 4,-2.3 -3,-0.3 -2,-0.2 0.926 112.9 48.8 -66.0 -39.9 17.3 51.2 103.1 20 23 A Y H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.948 110.4 50.4 -58.6 -56.6 13.9 50.9 101.2 21 24 A N H X S+ 0 0 22 -4,-2.8 4,-2.1 1,-0.2 5,-0.2 0.917 110.3 51.5 -52.4 -39.2 14.8 47.3 100.1 22 25 A A H X S+ 0 0 17 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.919 111.4 44.2 -65.5 -45.7 15.6 46.4 103.7 23 26 A I H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.956 116.2 49.5 -61.7 -46.2 12.3 47.7 105.2 24 27 A A H X S+ 0 0 2 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.842 109.7 49.2 -62.4 -38.0 10.4 46.0 102.3 25 28 A L H X S+ 0 0 69 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.888 111.5 50.0 -71.7 -40.3 12.1 42.6 102.7 26 29 A K H X S+ 0 0 41 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.852 106.3 56.6 -70.3 -24.9 11.4 42.7 106.4 27 30 A L H < S+ 0 0 25 -4,-1.9 12,-0.2 2,-0.2 -2,-0.2 0.942 109.5 46.4 -64.3 -46.1 7.6 43.5 105.6 28 31 A R H >< S+ 0 0 132 -4,-1.7 3,-0.8 1,-0.2 -2,-0.2 0.948 115.0 47.5 -55.0 -49.9 7.5 40.4 103.6 29 32 A E H 3< S+ 0 0 134 -4,-2.2 2,-0.6 1,-0.2 3,-0.2 0.930 109.0 48.8 -65.2 -49.6 9.2 38.3 106.3 30 33 A D T >< + 0 0 27 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 -0.130 68.5 139.9 -89.4 48.4 7.2 39.4 109.4 31 34 A D T < + 0 0 90 -3,-0.8 -1,-0.2 -2,-0.6 -2,-0.1 0.526 54.3 73.5 -66.5 -5.4 3.8 38.8 107.8 32 35 A E T 3> + 0 0 90 -3,-0.2 4,-2.0 4,-0.1 5,-0.2 0.729 66.5 120.3 -83.8 -22.4 2.2 37.3 111.0 33 36 A Y H <>>S+ 0 0 42 -3,-1.2 5,-2.4 2,-0.2 4,-1.0 -0.103 79.7 5.4 -51.5 140.2 1.9 40.5 113.0 34 37 A D H >45S- 0 0 40 1,-0.2 3,-1.3 3,-0.2 -1,-0.2 0.968 139.2 -46.4 49.5 63.2 -1.6 41.6 114.1 35 38 A N H 345S- 0 0 149 1,-0.2 -2,-0.2 -3,-0.2 -1,-0.2 0.880 113.4 -48.6 47.4 50.1 -3.4 38.4 112.9 36 39 A Y H 3<5S+ 0 0 159 -4,-2.0 -1,-0.2 -6,-0.1 -2,-0.2 0.659 109.1 115.9 66.8 17.7 -1.7 38.4 109.4 37 40 A I T <<5 - 0 0 18 -3,-1.3 3,-0.2 -4,-1.0 -3,-0.2 0.899 68.4-143.6 -74.6 -38.4 -2.3 42.1 108.6 38 41 A G < - 0 0 10 -5,-2.4 4,-0.4 1,-0.1 -7,-0.1 -0.335 26.4 -75.8 95.3 168.0 1.5 42.7 108.6 39 42 A Y S > S+ 0 0 37 -12,-0.2 4,-1.7 -9,-0.2 -1,-0.1 0.645 103.8 95.7 -80.5 -13.0 3.5 45.8 109.8 40 43 A G H > S+ 0 0 4 1,-0.2 4,-1.8 -3,-0.2 3,-0.3 0.887 84.2 47.8 -42.2 -55.8 2.6 48.0 106.7 41 44 A P H > S+ 0 0 15 0, 0.0 4,-2.4 0, 0.0 3,-0.3 0.948 111.0 47.5 -58.8 -47.7 -0.4 49.7 108.4 42 45 A V H > S+ 0 0 17 -4,-0.4 4,-2.0 1,-0.2 -2,-0.2 0.797 109.7 57.0 -70.5 -18.9 1.3 50.6 111.7 43 46 A L H X S+ 0 0 2 -4,-1.7 4,-1.9 -3,-0.3 -1,-0.2 0.854 108.7 43.5 -75.9 -37.1 4.3 52.0 109.7 44 47 A V H X S+ 0 0 10 -4,-1.8 4,-2.0 -3,-0.3 -2,-0.2 0.937 113.8 52.3 -78.0 -29.6 2.1 54.5 107.7 45 48 A R H X S+ 0 0 62 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.931 109.7 50.2 -60.0 -43.4 0.3 55.4 111.0 46 49 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.2 5,-0.3 0.944 109.1 50.5 -60.9 -44.1 3.8 56.1 112.5 47 50 A A H X S+ 0 0 0 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.854 112.2 47.2 -60.4 -38.4 4.8 58.3 109.6 48 51 A W H X S+ 0 0 54 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.944 112.2 51.0 -69.0 -49.9 1.5 60.3 109.9 49 52 A H H < S+ 0 0 12 -4,-2.7 4,-0.2 1,-0.2 -2,-0.2 0.781 109.5 46.5 -63.0 -35.1 1.9 60.7 113.8 50 53 A I H < S+ 0 0 6 -4,-2.0 3,-0.3 -5,-0.2 12,-0.2 0.819 120.7 43.0 -73.8 -23.9 5.5 62.0 113.8 51 54 A S H >< S+ 0 0 0 -4,-1.0 3,-1.3 -5,-0.3 -2,-0.2 0.777 101.5 66.9 -84.9 -27.6 4.4 64.4 111.0 52 55 A G T 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -3,-0.1 0.433 81.7 77.0 -78.6 -4.5 1.1 65.5 112.4 53 56 A T T 3 + 0 0 5 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.511 69.8 122.6 -79.7 -6.6 2.7 67.3 115.3 54 57 A W < - 0 0 19 -3,-1.3 2,-0.5 7,-0.2 7,-0.2 -0.296 46.1-161.3 -65.1 140.0 3.6 70.2 113.1 55 58 A D B >>> -B 60 0B 30 5,-2.5 4,-1.0 1,-0.1 3,-0.8 -0.886 7.8-159.1-118.5 107.6 2.4 73.7 113.9 56 59 A K T 345S+ 0 0 71 101,-2.2 -1,-0.1 -2,-0.5 102,-0.1 0.648 85.6 66.5 -57.0 -15.8 2.5 76.2 110.9 57 60 A H T 345S+ 0 0 137 1,-0.2 -1,-0.2 100,-0.1 100,-0.0 0.927 121.4 10.0 -79.1 -43.5 2.4 79.2 113.3 58 61 A D T <45S- 0 0 77 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.2 0.202 98.1-120.6-117.8 13.7 5.9 78.8 115.1 59 62 A N T <5 + 0 0 30 -4,-1.0 2,-0.2 1,-0.2 -3,-0.2 0.705 64.0 142.3 50.2 22.6 7.3 76.0 112.8 60 63 A T B < +B 55 0B 35 -5,-0.6 -5,-2.5 -7,-0.0 -1,-0.2 -0.579 47.0 11.8 -84.1 160.1 7.7 73.6 115.7 61 64 A G + 0 0 15 73,-0.4 3,-0.3 -7,-0.2 -7,-0.2 -0.222 68.6 110.9 74.3-162.8 7.1 69.8 115.4 62 65 A G S S- 0 0 5 -12,-0.2 3,-0.3 1,-0.2 5,-0.3 -0.230 85.9 -50.9 82.6-175.4 6.6 67.7 112.2 63 66 A S S > S+ 0 0 3 203,-0.3 3,-1.0 206,-0.3 -1,-0.2 0.673 108.2 86.6 -75.3 -17.4 9.0 65.1 110.8 64 67 A Y T 3 S+ 0 0 21 205,-0.4 38,-0.3 -3,-0.3 -1,-0.2 0.905 88.1 43.5 -49.0 -52.6 12.3 67.0 110.7 65 68 A G T 3 S- 0 0 7 -3,-0.3 65,-1.5 -4,-0.2 -1,-0.2 0.510 89.2-135.3 -81.8 -8.7 13.8 66.5 114.1 66 69 A G X + 0 0 3 -3,-1.0 3,-1.7 -4,-0.2 4,-0.1 0.709 48.1 156.3 58.7 24.5 13.1 62.8 114.6 67 70 A T G > + 0 0 7 1,-0.3 3,-1.6 -5,-0.3 6,-0.3 0.521 47.9 85.2 -65.8 -9.5 11.9 63.7 118.1 68 71 A Y G 3 S+ 0 0 2 1,-0.2 -1,-0.3 5,-0.1 6,-0.1 0.748 76.9 74.8 -58.7 -21.2 9.6 60.6 118.6 69 72 A R G < S+ 0 0 79 -3,-1.7 2,-0.3 4,-0.1 -1,-0.2 0.739 82.7 85.9 -62.8 -21.3 12.8 58.9 119.8 70 73 A F S <> S- 0 0 29 -3,-1.6 4,-2.1 -4,-0.1 3,-0.3 -0.639 88.8-118.5 -88.7 145.4 12.5 60.9 123.0 71 74 A K H > S+ 0 0 137 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.768 104.6 58.3 -50.6 -41.1 10.5 59.6 126.0 72 75 A K H 4 S+ 0 0 92 2,-0.2 4,-0.3 1,-0.2 3,-0.2 0.962 115.0 34.7 -55.7 -56.5 7.9 62.5 126.2 73 76 A E H >4 S+ 0 0 5 -6,-0.3 3,-1.0 -3,-0.3 -1,-0.2 0.883 116.1 58.0 -65.9 -37.0 6.6 62.2 122.6 74 77 A F H 3< S+ 0 0 42 -4,-2.1 -1,-0.2 -7,-0.2 -2,-0.2 0.838 108.7 45.1 -64.3 -33.9 7.0 58.4 122.8 75 78 A N T 3< S+ 0 0 105 -4,-2.1 -1,-0.2 -3,-0.2 -2,-0.2 0.311 78.4 129.9 -98.8 11.9 4.7 58.1 125.9 76 79 A D X - 0 0 11 -3,-1.0 3,-2.8 -4,-0.3 4,-0.2 -0.533 63.6-131.5 -57.9 120.3 2.0 60.4 124.6 77 80 A P G > S+ 0 0 102 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 0.876 107.0 62.6 -40.0 -45.7 -1.4 58.5 125.0 78 81 A S G 3 S+ 0 0 26 1,-0.3 -2,-0.1 63,-0.1 -3,-0.0 0.637 100.0 54.0 -56.8 -22.5 -2.3 59.4 121.4 79 82 A N G X S+ 0 0 1 -3,-2.8 3,-2.1 -6,-0.1 4,-0.4 0.289 73.7 140.8 -98.2 9.8 0.8 57.3 120.3 80 83 A A T < S+ 0 0 29 -3,-2.3 101,-0.1 1,-0.2 -5,-0.1 -0.265 72.8 22.8 -51.8 123.5 -0.2 54.0 122.2 81 84 A G T > S+ 0 0 7 99,-0.1 3,-1.3 100,-0.1 4,-0.4 0.145 92.1 101.4 102.0 -23.1 0.6 51.0 119.9 82 85 A L T X> + 0 0 0 -3,-2.1 4,-2.3 1,-0.2 3,-1.3 0.783 61.2 81.9 -68.0 -17.8 3.3 52.8 117.8 83 86 A Q H 3> S+ 0 0 47 -4,-0.4 4,-2.3 1,-0.3 -1,-0.2 0.753 85.9 60.1 -55.7 -25.9 6.1 51.1 119.8 84 87 A N H <> S+ 0 0 50 -3,-1.3 4,-1.6 2,-0.2 -1,-0.3 0.817 104.8 45.8 -71.4 -38.0 5.5 48.1 117.5 85 88 A G H <> S+ 0 0 0 -3,-1.3 4,-1.7 -4,-0.4 -2,-0.2 0.921 114.0 49.7 -72.0 -40.6 6.4 50.2 114.4 86 89 A F H X S+ 0 0 56 -4,-2.3 4,-1.5 2,-0.2 3,-0.3 0.947 109.7 50.9 -59.0 -48.5 9.5 51.6 116.3 87 90 A K H < S+ 0 0 121 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.885 109.0 52.6 -59.8 -37.9 10.6 48.1 117.3 88 91 A F H < S+ 0 0 4 -4,-1.6 4,-0.4 1,-0.2 -1,-0.2 0.857 111.6 44.6 -61.2 -41.9 10.3 47.0 113.7 89 92 A L H X S+ 0 0 2 -4,-1.7 4,-1.8 -3,-0.3 -1,-0.2 0.702 93.2 80.6 -82.7 -19.4 12.5 49.8 112.3 90 93 A E H X S+ 0 0 83 -4,-1.5 4,-2.0 1,-0.2 3,-0.3 0.922 89.2 51.1 -60.6 -45.8 15.3 49.6 115.0 91 94 A P H > S+ 0 0 60 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.883 111.4 52.8 -51.3 -37.1 17.2 46.5 113.4 92 95 A I H > S+ 0 0 6 -4,-0.4 4,-1.5 1,-0.2 -2,-0.2 0.861 106.7 50.1 -70.9 -32.4 17.1 48.5 110.2 93 96 A H H < S+ 0 0 46 -4,-1.8 -1,-0.2 -3,-0.3 6,-0.2 0.854 108.1 52.7 -74.2 -34.0 18.6 51.6 111.9 94 97 A K H < S+ 0 0 151 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.857 111.4 49.5 -65.9 -31.3 21.4 49.4 113.4 95 98 A E H < S+ 0 0 127 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.780 122.4 29.8 -73.9 -34.9 22.1 48.2 109.8 96 99 A F S >< S+ 0 0 25 -4,-1.5 3,-1.4 -5,-0.1 -1,-0.3 -0.653 71.9 169.6-122.9 77.6 22.2 51.7 108.2 97 100 A P T 3 + 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.684 68.4 66.8 -67.6 -17.7 23.5 53.9 111.2 98 101 A W T 3 S+ 0 0 58 -3,-0.1 2,-0.3 2,-0.1 -89,-0.1 0.623 76.8 94.5 -75.8 -21.4 24.0 56.9 108.9 99 102 A I S < S- 0 0 4 -3,-1.4 -3,-0.1 -6,-0.2 2,-0.0 -0.602 78.4-120.8 -76.2 135.6 20.3 57.6 108.1 100 103 A S > - 0 0 15 -2,-0.3 4,-2.1 27,-0.2 5,-0.2 -0.376 21.1-114.7 -68.9 158.8 18.7 60.2 110.4 101 104 A S H > S+ 0 0 9 2,-0.2 4,-3.0 1,-0.2 3,-0.3 0.980 114.2 51.6 -58.0 -55.4 15.5 59.2 112.5 102 105 A G H > S+ 0 0 0 -38,-0.3 4,-1.5 1,-0.3 -1,-0.2 0.834 111.7 48.7 -51.4 -39.6 13.1 61.5 110.7 103 106 A D H > S+ 0 0 0 24,-0.2 4,-2.0 -39,-0.2 -1,-0.3 0.913 114.4 45.4 -66.8 -39.3 14.3 60.1 107.3 104 107 A L H X S+ 0 0 3 -4,-2.1 4,-2.1 -3,-0.3 -2,-0.2 0.945 113.3 49.0 -66.2 -46.6 13.9 56.5 108.6 105 108 A F H X S+ 0 0 6 -4,-3.0 4,-1.1 1,-0.2 -1,-0.2 0.895 117.6 40.6 -61.3 -39.2 10.4 57.1 110.2 106 109 A S H X S+ 0 0 0 -4,-1.5 4,-1.7 -5,-0.3 -1,-0.2 0.813 111.6 53.7 -84.3 -34.5 9.0 58.8 107.1 107 110 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.874 103.1 59.4 -67.6 -33.7 10.6 56.4 104.5 108 111 A G H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.943 105.4 49.8 -54.0 -44.5 9.0 53.4 106.4 109 112 A G H X S+ 0 0 0 -4,-1.1 4,-1.9 -66,-0.2 -1,-0.2 0.912 112.3 47.3 -59.5 -45.6 5.6 55.1 105.7 110 113 A V H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.885 112.2 48.8 -64.7 -38.9 6.5 55.4 102.0 111 114 A T H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.968 109.4 53.1 -69.1 -43.0 7.8 51.8 101.6 112 115 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 6,-0.2 0.940 109.7 47.0 -57.7 -49.4 4.7 50.4 103.3 113 116 A V H <>S+ 0 0 0 -4,-1.9 5,-2.5 1,-0.2 -1,-0.2 0.884 116.1 43.6 -60.6 -45.8 2.2 52.2 100.9 114 117 A Q H ><5S+ 0 0 7 -4,-1.8 3,-1.0 3,-0.2 -1,-0.2 0.852 113.6 49.6 -73.4 -36.7 4.1 51.2 97.7 115 118 A E H 3<5S+ 0 0 43 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.815 105.0 59.2 -71.0 -27.9 4.7 47.6 98.8 116 119 A M T 3<5S- 0 0 16 -4,-2.2 79,-2.5 -5,-0.3 -1,-0.2 0.085 130.7 -97.6 -79.7 26.4 0.9 47.3 99.7 117 120 A Q T < 5S+ 0 0 125 -3,-1.0 -3,-0.2 77,-0.2 -2,-0.1 0.728 79.5 143.0 63.2 27.1 0.3 48.2 95.9 118 121 A G < - 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0 0 32 -2,-0.8 3,-0.5 -26,-0.2 -23,-0.2 -0.876 69.7 -96.1-137.7 179.8 -7.3 50.7 97.5 197 200 A N S >> S+ 0 0 17 -2,-0.3 4,-1.5 1,-0.2 3,-0.9 0.257 83.0 119.7 -85.6 21.8 -10.3 53.2 97.5 198 201 A E H 3> + 0 0 25 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.825 59.2 64.4 -54.3 -42.6 -12.2 50.8 99.7 199 202 A F H 3> S+ 0 0 2 -3,-0.5 4,-2.1 -29,-0.3 -1,-0.2 0.875 106.8 44.6 -52.2 -39.2 -12.6 53.2 102.7 200 203 A Y H <> S+ 0 0 0 -3,-0.9 4,-2.1 2,-0.2 5,-0.2 0.924 110.9 52.4 -72.4 -45.9 -14.8 55.5 100.5 201 204 A L H X S+ 0 0 62 -4,-1.5 4,-2.9 1,-0.2 5,-0.3 0.959 113.2 45.4 -59.8 -43.5 -16.9 52.6 99.0 202 205 A N H X S+ 0 0 16 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.936 108.5 54.4 -65.2 -46.3 -17.7 51.3 102.5 203 206 A L H < S+ 0 0 2 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.926 119.5 35.5 -51.8 -43.5 -18.5 54.7 104.0 204 207 A L H < S+ 0 0 60 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.833 124.4 40.0 -77.1 -38.1 -21.1 55.2 101.1 205 208 A N H < S+ 0 0 117 -4,-2.9 2,-0.2 -5,-0.2 -3,-0.2 0.649 94.4 85.7 -97.0 -14.6 -22.4 51.6 100.7 206 209 A E S < S- 0 0 49 -4,-2.4 2,-1.3 -5,-0.3 16,-0.0 -0.555 75.6-122.4 -89.3 156.6 -22.7 50.1 104.1 207 210 A D - 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0 0 55 -34,-0.3 -4,-2.7 -4,-0.1 2,-0.4 -0.702 59.2-114.8-100.8 158.7 -17.0 55.0 123.3 218 221 A E E +E 212 0E 90 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.738 38.5 161.2 -92.9 141.6 -19.3 55.4 120.4 219 222 A Q E -E 211 0E 5 -8,-2.4 -8,-2.5 -2,-0.4 2,-0.6 -0.990 41.8-108.7-151.0 157.7 -18.6 54.1 116.9 220 223 A W E -EF 210 228E 46 8,-2.2 8,-1.9 -2,-0.3 2,-0.4 -0.774 38.6-170.4 -84.7 112.3 -20.5 53.4 113.7 221 224 A D E -EF 209 227E 34 -12,-3.0 -12,-2.9 -2,-0.6 2,-0.3 -0.862 5.2-153.9-104.2 138.4 -20.7 49.6 113.2 222 225 A S E > -E 208 0E 11 4,-2.5 3,-2.5 -2,-0.4 4,-0.4 -0.887 29.2-112.7-111.6 159.6 -21.9 47.9 110.0 223 226 A K T 3 S+ 0 0 190 -16,-0.7 -1,-0.1 -2,-0.3 -15,-0.1 0.825 112.7 64.6 -48.2 -37.0 -23.6 44.4 109.4 224 227 A S T 3 S- 0 0 67 1,-0.1 -1,-0.3 -17,-0.1 3,-0.1 0.506 121.8-100.4 -68.6 -4.0 -20.4 43.3 107.6 225 228 A G S < S+ 0 0 53 -3,-2.5 2,-0.2 1,-0.3 -2,-0.1 0.609 82.5 126.4 91.0 14.4 -18.2 43.5 110.6 226 229 A Y - 0 0 43 -4,-0.4 -4,-2.5 -38,-0.1 -1,-0.3 -0.644 40.8-154.9-100.4 158.9 -16.6 46.9 109.7 227 230 A M E -F 221 0E 2 -40,-2.7 2,-0.3 -6,-0.2 -6,-0.2 -0.882 7.9-159.3-131.3 162.5 -16.4 50.1 111.8 228 231 A M E -F 220 0E 0 -8,-1.9 -8,-2.2 -2,-0.3 -40,-0.0 -0.992 20.3-128.5-136.4 137.1 -16.1 53.9 111.3 229 232 A L >> - 0 0 13 -2,-0.3 4,-2.8 -10,-0.2 3,-0.6 -0.524 30.7-109.8 -72.3 154.0 -14.8 56.5 113.8 230 233 A P H 3> S+ 0 0 25 0, 0.0 4,-2.5 0, 0.0 -85,-0.2 0.935 124.3 53.0 -43.4 -48.3 -17.0 59.7 114.6 231 234 A T H 34 S+ 0 0 16 -87,-1.3 4,-0.4 1,-0.2 -86,-0.1 0.845 110.9 45.3 -61.8 -29.5 -14.2 61.6 112.7 232 235 A D H X4 S+ 0 0 0 -3,-0.6 3,-1.5 2,-0.2 4,-0.2 0.928 110.7 51.1 -78.5 -42.2 -14.6 59.2 109.6 233 236 A Y H >X S+ 0 0 43 -4,-2.8 3,-2.4 1,-0.3 4,-0.9 0.897 96.0 73.5 -63.7 -32.7 -18.4 59.3 109.6 234 237 A S H >X S+ 0 0 1 -4,-2.5 4,-1.5 -5,-0.3 3,-0.5 0.800 82.6 71.8 -43.7 -33.1 -18.1 63.1 109.6 235 238 A L H <4 S+ 0 0 0 -3,-1.5 -1,-0.3 -4,-0.4 10,-0.3 0.628 102.0 38.7 -69.0 -17.3 -16.9 62.9 106.0 236 239 A I H <4 S+ 0 0 37 -3,-2.4 -1,-0.2 -4,-0.2 -2,-0.2 0.556 110.9 60.3-104.2 -8.8 -20.4 62.0 104.7 237 240 A Q H << S+ 0 0 114 -4,-0.9 -2,-0.2 -3,-0.5 -3,-0.1 0.691 94.2 72.9 -79.6 -27.6 -22.2 64.4 107.1 238 241 A D S X S- 0 0 26 -4,-1.5 4,-2.8 1,-0.1 5,-0.2 -0.835 75.5-145.5 -92.2 126.2 -20.4 67.4 105.6 239 242 A P H > S+ 0 0 103 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.841 99.4 48.0 -59.6 -38.5 -21.5 68.6 102.1 240 243 A K H > S+ 0 0 116 2,-0.2 4,-1.2 1,-0.1 3,-0.2 0.965 115.7 43.6 -66.2 -46.0 -18.1 69.7 101.0 241 244 A Y H >> S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 3,-0.6 0.968 108.0 60.0 -64.0 -43.7 -16.4 66.4 102.2 242 245 A L H 3X S+ 0 0 51 -4,-2.8 4,-2.2 1,-0.3 -1,-0.2 0.830 99.4 55.1 -56.9 -38.1 -19.1 64.2 100.8 243 246 A S H 3X S+ 0 0 72 -4,-1.3 4,-1.5 -3,-0.2 -1,-0.3 0.933 111.4 44.8 -64.6 -37.4 -18.6 65.3 97.2 244 247 A I H S+ 0 0 66 -2,-0.3 4,-2.8 -3,-0.2 5,-0.1 0.852 85.6 56.8 -61.4 -38.0 -9.3 55.1 92.4 253 256 A D H > S+ 0 0 96 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.929 106.6 49.6 -59.9 -43.2 -6.6 56.6 90.0 254 257 A K H > S+ 0 0 58 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.918 111.5 49.5 -62.3 -45.4 -7.8 60.1 91.0 255 258 A F H X S+ 0 0 0 -4,-2.0 4,-3.1 -7,-0.2 5,-0.3 0.944 110.4 50.7 -55.3 -49.1 -7.6 59.0 94.7 256 259 A F H X S+ 0 0 24 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.934 111.4 47.9 -55.2 -49.2 -4.0 57.6 94.1 257 260 A K H X S+ 0 0 106 -4,-2.5 4,-1.9 1,-0.2 5,-0.2 0.936 117.0 42.4 -56.8 -47.2 -2.8 60.9 92.5 258 261 A D H X S+ 0 0 12 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.902 113.7 50.2 -70.7 -38.1 -4.3 63.0 95.2 259 262 A F H X S+ 0 0 2 -4,-3.1 4,-2.6 -5,-0.2 5,-0.3 0.921 109.3 54.2 -61.1 -43.7 -3.1 60.8 98.1 260 263 A S H X S+ 0 0 15 -4,-2.3 4,-2.0 -5,-0.3 5,-0.2 0.967 112.1 41.9 -56.9 -54.4 0.4 60.8 96.7 261 264 A K H X S+ 0 0 129 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.951 118.1 46.2 -59.4 -46.0 0.6 64.6 96.5 262 265 A A H X S+ 0 0 2 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.824 110.6 51.9 -69.2 -30.5 -1.0 65.1 100.0 263 266 A F H X S+ 0 0 5 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.918 110.5 47.1 -74.6 -41.4 1.1 62.4 101.7 264 267 A E H X S+ 0 0 36 -4,-2.0 4,-2.1 -5,-0.3 5,-0.2 0.967 112.1 52.0 -62.6 -44.2 4.4 63.9 100.5 265 268 A K H X S+ 0 0 60 -4,-2.3 4,-1.1 -5,-0.2 -2,-0.2 0.940 109.4 50.4 -57.1 -43.0 3.2 67.4 101.6 266 269 A L H < S+ 0 0 3 -4,-2.2 3,-0.4 1,-0.2 -203,-0.3 0.911 112.7 45.1 -57.7 -46.6 2.4 65.9 105.0 267 270 A L H < S+ 0 0 4 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.724 116.1 46.8 -72.5 -26.0 5.9 64.4 105.4 268 271 A E H >< S+ 0 0 36 -4,-2.1 3,-1.6 -3,-0.2 -1,-0.2 0.505 79.1 129.8 -92.8 -6.5 7.7 67.5 104.1 269 272 A N T 3< S+ 0 0 19 -4,-1.1 -205,-0.4 -3,-0.4 -206,-0.3 -0.188 75.3 15.1 -54.4 135.8 5.8 70.2 106.2 270 273 A G T 3 S+ 0 0 14 1,-0.2 2,-0.5 -208,-0.1 -1,-0.2 0.541 99.8 116.1 79.8 8.0 8.1 72.7 108.1 271 274 A I < - 0 0 18 -3,-1.6 2,-0.6 -269,-0.1 -1,-0.2 -0.923 53.7-150.0-115.1 125.0 11.2 71.7 106.1 272 275 A T B -a 4 0A 71 -269,-3.2 -267,-2.7 -2,-0.5 -3,-0.0 -0.812 10.8-155.7 -90.8 119.6 13.1 74.1 103.8 273 276 A F - 0 0 46 -2,-0.6 -267,-0.1 -269,-0.2 -269,-0.1 -0.841 14.1-133.5 -95.7 117.6 14.8 72.4 100.8 274 277 A P > - 0 0 34 0, 0.0 3,-2.2 0, 0.0 -270,-0.0 -0.396 23.2-116.3 -61.5 146.8 17.8 74.4 99.4 275 278 A K T 3 S+ 0 0 195 1,-0.3 -2,-0.0 -2,-0.0 0, 0.0 0.660 116.5 59.5 -63.3 -11.6 17.7 74.6 95.5 276 279 A D T 3 S+ 0 0 148 2,-0.0 -1,-0.3 3,-0.0 3,-0.1 0.605 81.6 109.5 -85.7 -13.8 20.9 72.5 95.5 277 280 A A S < S- 0 0 21 -3,-2.2 -151,-0.0 1,-0.1 -4,-0.0 -0.249 83.5 -93.3 -56.0 147.4 19.2 69.6 97.3 278 281 A P - 0 0 50 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.263 45.4 -99.8 -57.4 149.2 18.6 66.5 95.1 279 282 A S - 0 0 97 1,-0.1 -156,-0.1 -3,-0.1 -3,-0.0 -0.295 59.2 -72.9 -53.6 158.0 15.2 66.2 93.3 280 283 A P - 0 0 50 0, 0.0 2,-0.4 0, 0.0 -156,-0.2 -0.247 53.4-122.5 -55.1 137.0 12.7 63.9 95.1 281 284 A F B -C 123 0C 27 -158,-3.1 -158,-2.4 -3,-0.1 2,-0.7 -0.744 14.0-154.9 -83.0 133.1 13.5 60.2 94.8 282 285 A I - 0 0 79 -2,-0.4 2,-0.2 -160,-0.2 -162,-0.0 -0.879 21.9-149.3-101.8 100.8 11.1 57.7 93.3 283 286 A F - 0 0 0 -2,-0.7 2,-0.2 -162,-0.4 -162,-0.1 -0.459 7.9-126.7 -73.9 137.2 12.0 54.3 94.7 284 287 A K - 0 0 104 -2,-0.2 2,-0.1 1,-0.1 -1,-0.1 -0.547 26.2-120.6 -69.2 142.9 11.5 51.1 92.9 285 288 A T > - 0 0 18 -2,-0.2 4,-1.4 1,-0.1 6,-0.2 -0.459 28.2-103.1 -73.0 160.9 9.5 48.3 94.6 286 289 A L H >>>S+ 0 0 2 1,-0.2 5,-2.5 2,-0.2 3,-0.7 0.972 123.5 52.6 -43.3 -48.7 11.0 44.8 95.4 287 290 A E H >45S+ 0 0 150 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.857 104.7 52.5 -59.3 -43.4 9.0 43.4 92.4 288 291 A E H 345S+ 0 0 103 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.2 0.814 113.3 46.0 -66.2 -27.0 10.3 46.0 89.9 289 292 A Q H <<5S- 0 0 61 -4,-1.4 -1,-0.2 -3,-0.7 -2,-0.2 0.491 114.5-116.8 -90.0 -5.9 13.9 45.1 91.0 290 293 A G T <<5 0 0 70 -3,-0.8 -3,-0.2 -4,-0.7 -4,-0.1 0.766 360.0 360.0 76.4 23.4 13.2 41.3 90.8 291 294 A L < 0 0 102 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.559 360.0 360.0-107.9 360.0 13.9 40.9 94.5