==== 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)) 23-NOV-93 1CMQ . COMPND 2 MOLECULE: CYTOCHROME C PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR M.M.FITZGERALD,D.E.MCREE,M.J.CHURCHILL,D.B.GOODIN . 291 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13055.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 193 66.3 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 . 51 17.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 35.7 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 3 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 0 126 0, 0.0 2,-0.4 0, 0.0 269,-0.0 0.000 360.0 360.0 360.0 133.7 12.3 78.0 113.6 2 5 A V - 0 0 108 2,-0.0 2,-0.4 270,-0.0 269,-0.1 -0.943 360.0-165.3-112.7 143.5 13.8 77.3 110.3 3 6 A H - 0 0 28 -2,-0.4 269,-2.8 267,-0.2 2,-0.4 -0.918 10.5-157.2-128.8 105.9 14.8 73.6 109.7 4 7 A V B -a 272 0A 74 -2,-0.4 2,-0.5 267,-0.2 269,-0.2 -0.669 19.7-116.9 -90.1 134.0 17.0 73.3 106.7 5 8 A A - 0 0 12 267,-2.8 2,-0.5 -2,-0.4 122,-0.2 -0.634 32.2-172.7 -68.2 125.2 17.3 70.0 105.0 6 9 A S - 0 0 74 120,-2.2 120,-0.2 -2,-0.5 3,-0.1 -0.905 21.5-129.5-118.5 102.1 20.8 68.5 105.2 7 10 A V - 0 0 53 -2,-0.5 3,-0.1 118,-0.2 2,-0.0 -0.169 37.1 -98.5 -48.0 132.0 21.7 65.3 103.1 8 11 A E > - 0 0 21 1,-0.2 3,-2.6 2,-0.1 -1,-0.1 -0.357 61.4 -85.7 -53.1 123.3 23.4 62.6 105.2 9 12 A K T 3 S- 0 0 176 1,-0.3 -1,-0.2 -3,-0.1 -3,-0.0 -0.109 104.3 -5.2 -49.7 110.6 27.0 63.1 104.4 10 13 A G T 3 S+ 0 0 78 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.414 96.4 134.9 94.1 -0.4 28.1 61.2 101.3 11 14 A R < - 0 0 92 -3,-2.6 2,-0.3 3,-0.0 -1,-0.2 -0.432 27.7-179.4 -89.3 141.5 24.8 59.4 100.6 12 15 A S >> - 0 0 51 -2,-0.2 3,-1.5 1,-0.1 4,-1.4 -0.838 47.1 -75.3-124.1-174.9 23.1 59.0 97.3 13 16 A Y H 3> S+ 0 0 63 1,-0.3 4,-2.8 -2,-0.3 3,-0.3 0.879 125.3 54.5 -40.0 -60.6 19.9 57.4 95.8 14 17 A E H 3> S+ 0 0 114 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.772 103.5 55.3 -53.1 -31.7 21.3 53.9 95.9 15 18 A D H X> S+ 0 0 28 -3,-1.5 4,-1.2 2,-0.2 3,-1.1 0.984 112.3 43.4 -63.9 -47.0 22.1 54.1 99.7 16 19 A F H >X S+ 0 0 0 -4,-1.4 4,-2.7 -3,-0.3 3,-1.0 0.954 107.5 59.0 -62.3 -47.6 18.4 55.1 100.4 17 20 A Q H 3X S+ 0 0 14 -4,-2.8 4,-2.2 1,-0.3 -1,-0.3 0.733 103.7 54.6 -52.2 -22.9 17.1 52.4 98.0 18 21 A K H < S+ 0 0 135 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.929 116.0 42.9 -54.2 -45.9 7.6 40.3 103.6 29 32 A E H 3< S+ 0 0 127 -4,-1.9 2,-0.6 1,-0.2 3,-0.2 0.938 108.5 52.1 -75.6 -50.2 9.1 38.2 106.3 30 33 A D T >< + 0 0 28 -4,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.018 68.5 138.6 -87.8 42.5 7.2 39.4 109.5 31 34 A D T < + 0 0 92 -3,-0.7 -1,-0.2 -2,-0.6 -2,-0.1 0.445 54.1 72.0 -64.9 -4.1 3.8 38.8 107.7 32 35 A E T 3> + 0 0 85 -3,-0.2 4,-2.0 4,-0.1 -1,-0.3 0.659 67.0 122.1 -89.2 -19.8 2.1 37.2 110.8 33 36 A Y H <>>S+ 0 0 38 -3,-1.6 5,-3.1 2,-0.2 4,-1.2 -0.189 78.9 5.9 -53.0 135.5 1.8 40.4 112.9 34 37 A D H >45S- 0 0 40 3,-0.2 3,-1.2 2,-0.2 -1,-0.2 0.984 140.0 -45.5 55.8 63.5 -1.7 41.5 114.1 35 38 A N H 345S- 0 0 146 1,-0.3 -2,-0.2 -3,-0.2 -1,-0.2 0.906 115.8 -48.0 45.7 48.4 -3.5 38.3 112.8 36 39 A Y H 3<5S+ 0 0 157 -4,-2.0 -1,-0.3 -6,-0.1 -2,-0.2 0.736 108.5 118.8 65.7 26.8 -1.7 38.4 109.5 37 40 A I T <<5 - 0 0 14 -4,-1.2 3,-0.2 -3,-1.2 -3,-0.2 0.877 65.4-146.4 -78.9 -33.9 -2.3 42.0 108.7 38 41 A G < - 0 0 9 -5,-3.1 4,-0.4 1,-0.1 -7,-0.1 -0.200 28.7 -74.7 87.1 169.6 1.5 42.6 108.7 39 42 A Y S > S+ 0 0 36 -12,-0.2 4,-1.9 1,-0.2 5,-0.2 0.593 104.2 95.8 -83.9 -4.1 3.4 45.7 109.8 40 43 A G H > S+ 0 0 4 -3,-0.2 4,-2.2 1,-0.2 5,-0.2 0.919 85.3 47.2 -49.1 -54.9 2.5 47.9 106.8 41 44 A P H > S+ 0 0 15 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.956 111.9 47.2 -52.8 -51.9 -0.5 49.6 108.5 42 45 A V H > S+ 0 0 19 -4,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.874 110.6 55.7 -67.5 -22.2 1.2 50.5 111.8 43 46 A L H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 66,-0.3 0.918 108.2 45.2 -77.1 -41.7 4.2 51.9 109.8 44 47 A V H X S+ 0 0 11 -4,-2.2 4,-2.2 1,-0.2 5,-0.3 0.952 112.5 52.2 -70.4 -32.2 2.1 54.3 107.7 45 48 A R H X S+ 0 0 76 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.936 110.1 50.4 -63.1 -36.4 0.3 55.3 111.0 46 49 A L H X S+ 0 0 1 -4,-2.1 4,-2.0 -5,-0.2 5,-0.3 0.978 109.2 50.0 -65.5 -45.8 3.9 56.0 112.5 47 50 A A H X S+ 0 0 0 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.873 113.7 45.3 -61.7 -35.1 4.9 58.1 109.6 48 51 A W H X S+ 0 0 46 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.930 112.7 51.1 -77.0 -42.8 1.7 60.3 109.8 49 52 A H H < S+ 0 0 15 -4,-2.7 4,-0.3 -5,-0.3 -2,-0.2 0.855 108.6 49.0 -66.0 -29.2 1.9 60.6 113.7 50 53 A I H < S+ 0 0 6 -4,-2.0 3,-0.3 -5,-0.2 12,-0.3 0.839 119.4 42.5 -74.1 -27.6 5.7 61.9 113.7 51 54 A S H >< S+ 0 0 0 -4,-1.0 3,-1.2 -5,-0.3 -2,-0.2 0.777 103.0 67.3 -81.8 -25.4 4.5 64.4 111.0 52 55 A G T 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.3 -3,-0.1 0.477 79.8 74.2 -84.1 -4.9 1.2 65.5 112.5 53 56 A T T 3 S+ 0 0 5 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.489 73.3 124.8 -81.1 -0.9 2.5 67.3 115.5 54 57 A W < - 0 0 23 -3,-1.2 2,-0.4 7,-0.2 7,-0.2 -0.338 45.0-162.4 -63.2 139.6 3.5 70.1 113.2 55 58 A D B >>> -B 60 0B 28 5,-2.4 4,-1.0 1,-0.1 3,-0.9 -0.894 9.5-158.8-123.3 115.4 2.3 73.6 113.9 56 59 A K T 345S+ 0 0 76 101,-2.1 102,-0.1 -2,-0.4 -1,-0.1 0.596 84.6 67.2 -63.8 -15.2 2.4 76.2 111.0 57 60 A H T 345S+ 0 0 132 100,-0.2 -1,-0.2 1,-0.2 100,-0.0 0.913 122.3 9.0 -77.9 -40.7 2.3 79.2 113.3 58 61 A D T <45S- 0 0 77 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.2 0.218 98.3-116.9-121.6 12.1 5.8 78.8 115.0 59 62 A N T <5 + 0 0 28 -4,-1.0 -3,-0.2 1,-0.2 2,-0.1 0.667 64.7 144.4 56.0 20.0 7.3 75.9 112.8 60 63 A T B < +B 55 0B 35 -5,-0.7 -5,-2.4 -7,-0.0 -1,-0.2 -0.485 48.2 10.7 -81.3 163.7 7.5 73.5 115.8 61 64 A G S S+ 0 0 15 73,-0.4 3,-0.2 -7,-0.2 -7,-0.2 -0.191 70.6 120.4 64.3-160.5 6.9 69.6 115.6 62 65 A G S S- 0 0 5 -12,-0.3 3,-0.4 -13,-0.2 4,-0.2 -0.208 81.2 -61.6 90.1 173.4 6.7 67.8 112.2 63 66 A S S > S+ 0 0 2 206,-0.4 3,-1.2 203,-0.3 43,-0.2 0.729 108.6 86.7 -73.9 -14.3 9.0 65.0 110.9 64 67 A Y T 3 S+ 0 0 24 205,-0.4 38,-0.3 1,-0.3 39,-0.2 0.861 86.3 44.8 -52.8 -49.1 12.3 66.8 110.8 65 68 A G T 3 S- 0 0 9 -3,-0.4 65,-1.8 64,-0.2 -1,-0.3 0.434 88.2-138.4 -84.0 -3.7 13.6 66.3 114.3 66 69 A G X + 0 0 3 -3,-1.2 3,-1.6 63,-0.2 4,-0.2 0.766 45.9 156.9 48.2 27.8 12.9 62.6 114.7 67 70 A T G > + 0 0 8 1,-0.3 3,-1.8 2,-0.2 6,-0.4 0.551 47.5 87.1 -65.3 -8.4 11.7 63.5 118.3 68 71 A Y G 3 S+ 0 0 2 1,-0.3 -1,-0.3 5,-0.1 -2,-0.1 0.766 75.8 75.4 -55.5 -25.6 9.5 60.4 118.8 69 72 A R G < S+ 0 0 75 -3,-1.6 2,-0.3 4,-0.1 -1,-0.3 0.761 83.1 86.7 -58.5 -28.7 12.7 58.8 119.9 70 73 A F S <> S- 0 0 27 -3,-1.8 4,-2.4 -4,-0.2 3,-0.3 -0.555 89.0-119.9 -82.3 144.6 12.3 60.8 123.2 71 74 A K H > S+ 0 0 137 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.819 106.6 57.5 -46.0 -46.8 10.2 59.5 126.1 72 75 A K H 4 S+ 0 0 82 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.949 116.2 33.1 -55.3 -56.6 7.6 62.5 126.1 73 76 A E H >4 S+ 0 0 4 -6,-0.4 3,-0.6 -3,-0.3 -1,-0.2 0.820 117.7 56.3 -69.7 -31.9 6.5 62.0 122.5 74 77 A F H 3< S+ 0 0 42 -4,-2.4 -2,-0.2 -7,-0.2 -1,-0.2 0.902 111.9 41.7 -67.4 -42.9 7.0 58.1 122.7 75 78 A N T 3< S+ 0 0 108 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.261 80.4 134.1 -84.8 -0.2 4.7 57.8 125.7 76 79 A D X - 0 0 9 -3,-0.6 3,-2.9 -4,-0.3 4,-0.3 -0.427 63.9-128.0 -45.8 121.1 2.0 60.3 124.4 77 80 A P G > S+ 0 0 102 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.926 109.7 59.2 -43.4 -42.2 -1.5 58.5 124.9 78 81 A S G 3 S+ 0 0 43 1,-0.3 -2,-0.1 63,-0.1 -3,-0.0 0.585 99.5 57.4 -62.8 -10.5 -2.2 59.2 121.2 79 82 A N G X S+ 0 0 1 -3,-2.9 3,-2.2 102,-0.1 4,-0.4 0.412 73.5 140.1-103.6 5.2 0.8 57.2 120.2 80 83 A A T < S+ 0 0 28 -3,-2.1 101,-0.1 -4,-0.3 -5,-0.1 -0.157 71.5 20.0 -55.8 128.9 -0.2 53.9 122.0 81 84 A G T > S+ 0 0 5 100,-0.1 3,-1.2 99,-0.1 4,-0.4 0.121 93.7 99.9 96.1 -20.5 0.6 50.9 119.9 82 85 A L T X> + 0 0 0 -3,-2.2 4,-2.0 1,-0.2 3,-1.9 0.795 61.0 83.9 -67.8 -18.7 3.2 52.7 117.7 83 86 A Q H 3> S+ 0 0 48 -4,-0.4 4,-2.8 1,-0.3 -1,-0.2 0.788 85.5 60.1 -50.2 -27.5 5.9 51.1 119.9 84 87 A N H <> S+ 0 0 53 -3,-1.2 4,-1.5 2,-0.2 -1,-0.3 0.802 103.5 46.9 -68.8 -37.7 5.5 48.1 117.6 85 88 A G H <> S+ 0 0 0 -3,-1.9 4,-1.3 -4,-0.4 -2,-0.2 0.867 113.1 50.6 -75.0 -34.6 6.4 50.1 114.5 86 89 A F H >X S+ 0 0 51 -4,-2.0 4,-2.0 2,-0.2 3,-1.3 0.996 108.9 50.6 -63.3 -57.9 9.5 51.5 116.4 87 90 A K H 3< S+ 0 0 114 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.853 109.4 52.3 -50.7 -35.9 10.6 48.0 117.4 88 91 A F H 3< S+ 0 0 4 -4,-1.5 -1,-0.3 1,-0.2 4,-0.3 0.808 112.9 42.8 -64.6 -41.7 10.3 46.8 113.8 89 92 A L H XX S+ 0 0 2 -4,-1.3 4,-1.6 -3,-1.3 3,-0.6 0.704 93.3 83.7 -83.1 -22.0 12.5 49.5 112.4 90 93 A E H >X S+ 0 0 79 -4,-2.0 4,-2.0 1,-0.2 3,-0.6 0.901 89.6 48.8 -52.8 -51.7 15.1 49.4 115.2 91 94 A P H 3> S+ 0 0 62 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.789 110.3 55.8 -52.9 -30.3 17.2 46.5 113.6 92 95 A I H <> S+ 0 0 5 -3,-0.6 4,-1.2 -4,-0.3 -2,-0.2 0.857 103.9 50.4 -75.6 -33.6 17.1 48.4 110.4 93 96 A H H << S+ 0 0 44 -4,-1.6 3,-0.5 -3,-0.6 6,-0.2 0.936 109.0 52.7 -69.2 -42.5 18.6 51.5 112.0 94 97 A K H < S+ 0 0 139 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.870 109.8 49.9 -57.0 -33.9 21.5 49.3 113.5 95 98 A E H < S+ 0 0 128 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.797 124.3 29.1 -74.8 -26.9 22.1 48.0 110.0 96 99 A F S >< S+ 0 0 22 -4,-1.2 3,-1.8 -3,-0.5 -1,-0.3 -0.506 71.2 168.1-129.8 70.3 22.2 51.6 108.6 97 100 A P T 3 + 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.671 69.9 65.9 -68.4 -16.0 23.5 53.8 111.5 98 101 A W T 3 S+ 0 0 56 -5,-0.1 2,-0.1 -4,-0.1 -89,-0.1 0.708 77.1 95.6 -72.6 -27.5 24.0 56.8 109.3 99 102 A I S < S- 0 0 4 -3,-1.8 -3,-0.1 -6,-0.2 2,-0.0 -0.477 79.2-118.2 -69.4 137.1 20.3 57.5 108.4 100 103 A S > - 0 0 14 27,-0.2 4,-2.2 -2,-0.1 5,-0.2 -0.359 19.4-116.7 -65.1 157.2 18.6 60.1 110.6 101 104 A S H > S+ 0 0 9 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.979 115.0 49.8 -56.7 -51.7 15.5 59.1 112.8 102 105 A G H > S+ 0 0 0 -38,-0.3 4,-2.3 1,-0.2 5,-0.3 0.925 112.7 47.8 -53.9 -48.7 13.1 61.5 110.9 103 106 A D H > S+ 0 0 0 -39,-0.2 4,-2.0 24,-0.2 -1,-0.2 0.918 114.6 46.0 -60.4 -38.8 14.2 60.1 107.6 104 107 A L H X S+ 0 0 3 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.968 113.8 46.9 -68.1 -51.5 13.9 56.5 108.8 105 108 A F H X S+ 0 0 6 -4,-3.0 4,-1.3 1,-0.2 -58,-0.2 0.954 116.8 45.8 -55.1 -43.6 10.4 56.9 110.4 106 109 A S H X S+ 0 0 0 -4,-2.3 4,-1.6 -5,-0.3 -1,-0.2 0.899 111.0 49.2 -73.0 -35.6 9.1 58.7 107.3 107 110 A L H X S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.3 5,-0.2 0.852 100.2 67.3 -76.6 -25.5 10.6 56.3 104.7 108 111 A G H X S+ 0 0 1 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.968 104.4 45.9 -47.9 -48.9 9.0 53.4 106.8 109 112 A G H X S+ 0 0 0 -4,-1.3 4,-2.3 -66,-0.3 5,-0.2 0.909 111.6 48.7 -59.3 -51.3 5.6 54.9 105.6 110 113 A V H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 5,-0.2 0.945 113.3 48.5 -56.2 -43.4 6.6 55.4 101.9 111 114 A T H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.959 110.5 50.7 -63.2 -50.7 7.9 51.8 101.8 112 115 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 6,-0.3 0.941 111.5 48.0 -54.1 -46.2 4.7 50.4 103.4 113 116 A V H <>S+ 0 0 0 -4,-2.3 5,-2.3 1,-0.2 -1,-0.2 0.932 115.2 43.3 -64.5 -47.3 2.4 52.2 101.0 114 117 A Q H ><5S+ 0 0 7 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.820 113.7 50.1 -70.8 -32.3 4.3 51.2 97.9 115 118 A E H 3<5S+ 0 0 43 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.805 103.3 60.8 -72.9 -28.8 4.8 47.6 99.0 116 119 A M T 3<5S- 0 0 16 -4,-2.1 79,-2.7 -5,-0.2 -1,-0.2 0.069 129.0 -97.1 -81.8 26.9 1.0 47.3 99.8 117 120 A Q T < 5S+ 0 0 129 -3,-0.7 -3,-0.2 77,-0.2 -2,-0.1 0.712 81.3 141.6 62.1 24.7 0.4 48.1 96.0 118 121 A G < - 0 0 17 -5,-2.3 -1,-0.1 -6,-0.3 2,-0.1 -0.032 58.2 -72.2 -77.6-172.2 -0.2 51.8 96.6 119 122 A P - 0 0 17 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 -0.423 55.8 -91.4 -72.5 161.1 0.9 54.6 94.4 120 123 A K - 0 0 67 -3,-0.1 164,-0.0 -2,-0.1 -10,-0.0 -0.606 40.2-156.9 -64.5 121.0 4.6 55.7 94.2 121 124 A I - 0 0 0 -2,-0.4 162,-0.3 -11,-0.2 -7,-0.1 -0.915 15.6-130.0 -99.1 110.4 5.2 58.5 96.8 122 125 A P - 0 0 28 0, 0.0 2,-0.4 0, 0.0 160,-0.2 -0.391 29.5-160.3 -50.2 127.4 8.3 60.8 96.0 123 126 A W B -C 281 0C 3 158,-2.1 158,-3.1 156,-0.1 2,-0.5 -0.955 9.3-156.1-119.6 143.1 10.5 61.0 99.1 124 127 A R - 0 0 62 -2,-0.4 3,-0.2 156,-0.2 2,-0.1 -0.952 9.4-144.8-114.2 132.6 13.1 63.6 100.0 125 128 A C + 0 0 7 -2,-0.5 -118,-0.2 1,-0.1 -120,-0.0 -0.405 57.9 91.7 -84.4 170.2 16.1 63.0 102.4 126 129 A G + 0 0 1 1,-0.3 -120,-2.2 -120,-0.2 -1,-0.1 0.467 36.7 140.6 131.0 -6.9 17.5 65.7 104.8 127 130 A R - 0 0 4 -3,-0.2 2,-0.5 -122,-0.2 -1,-0.3 -0.444 36.7-151.9 -68.6 146.4 15.8 65.5 108.2 128 131 A V - 0 0 54 -64,-0.2 -121,-0.0 -2,-0.1 -1,-0.0 -0.973 19.1-114.5-121.8 127.3 18.3 66.1 111.1 129 132 A D - 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0 0 54 -34,-0.2 -4,-2.2 -4,-0.2 -1,-0.3 -0.837 60.2-115.0-109.9 154.5 -17.1 55.1 123.1 218 221 A E E +E 212 0E 94 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.630 36.7 162.6 -89.0 146.9 -19.3 55.4 120.0 219 222 A Q E -E 211 0E 6 -8,-2.5 -8,-2.9 -2,-0.3 2,-0.9 -0.992 41.5-107.1-151.2 160.9 -18.6 54.1 116.6 220 223 A W E -EF 210 228E 48 8,-2.3 8,-1.4 -2,-0.3 -10,-0.2 -0.755 40.3-170.9 -89.0 104.5 -20.4 53.4 113.4 221 224 A D E -EF 209 227E 28 -12,-2.6 -12,-2.9 -2,-0.9 2,-0.3 -0.590 4.9-154.9 -94.4 150.7 -20.8 49.6 112.9 222 225 A S E > -E 208 0E 14 4,-2.0 3,-1.9 -14,-0.2 -14,-0.1 -0.905 29.7-114.4-123.5 159.3 -22.0 47.7 109.9 223 226 A K T 3 S+ 0 0 175 -16,-0.5 -1,-0.1 -2,-0.3 -15,-0.1 0.915 111.7 65.7 -47.9 -45.4 -23.7 44.3 109.2 224 227 A S T 3 S- 0 0 59 1,-0.1 -1,-0.3 -3,-0.1 -35,-0.0 0.542 122.1 -98.8 -59.3 -11.4 -20.6 43.2 107.3 225 228 A G S < S+ 0 0 52 -3,-1.9 2,-0.2 1,-0.3 -2,-0.1 0.474 82.9 124.8 103.4 0.4 -18.3 43.3 110.4 226 229 A Y - 0 0 45 -38,-0.1 -4,-2.0 -40,-0.1 -1,-0.3 -0.543 40.8-157.4 -94.0 157.5 -16.7 46.8 109.7 227 230 A M E -F 221 0E 7 -40,-2.6 2,-0.3 -6,-0.2 -6,-0.2 -0.911 4.1-162.8-132.1 158.2 -16.4 50.0 111.8 228 231 A M E -F 220 0E 2 -8,-1.4 -8,-2.3 -2,-0.3 -40,-0.0 -0.994 24.1-121.5-136.3 139.4 -15.9 53.7 111.1 229 232 A L > - 0 0 15 -2,-0.3 4,-2.7 -10,-0.2 3,-0.3 -0.556 29.3-110.6 -72.0 154.3 -14.8 56.4 113.6 230 233 A P H > S+ 0 0 23 0, 0.0 4,-2.6 0, 0.0 -85,-0.2 0.936 124.1 51.4 -46.5 -45.7 -17.1 59.5 114.3 231 234 A T H > S+ 0 0 13 -87,-2.3 4,-0.5 1,-0.2 -86,-0.1 0.875 111.0 47.6 -63.8 -31.1 -14.4 61.5 112.5 232 235 A D H >4 S+ 0 0 6 -3,-0.3 3,-1.0 -88,-0.2 -1,-0.2 0.917 109.2 51.1 -73.4 -39.2 -14.5 59.1 109.6 233 236 A Y H >X S+ 0 0 43 -4,-2.7 3,-2.5 1,-0.2 4,-0.9 0.896 96.2 74.9 -68.6 -32.3 -18.3 59.1 109.4 234 237 A S H >X S+ 0 0 0 -4,-2.6 4,-1.1 1,-0.3 3,-0.6 0.797 79.3 72.9 -42.3 -33.1 -18.0 63.0 109.4 235 238 A L H << S+ 0 0 0 -3,-1.0 -1,-0.3 -4,-0.5 10,-0.3 0.636 101.6 40.2 -70.2 -12.8 -16.8 62.9 105.8 236 239 A I H <4 S+ 0 0 40 -3,-2.5 -1,-0.3 -4,-0.1 -2,-0.2 0.574 109.1 60.6-106.8 -9.2 -20.4 62.0 104.5 237 240 A Q H << S+ 0 0 119 -4,-0.9 -2,-0.2 -3,-0.6 -3,-0.1 0.557 95.5 72.0 -83.3 -16.4 -22.1 64.4 106.9 238 241 A D S X S- 0 0 24 -4,-1.1 4,-2.8 1,-0.1 5,-0.2 -0.928 74.7-147.4-103.8 129.6 -20.3 67.4 105.4 239 242 A P H > S+ 0 0 102 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.786 98.5 48.9 -67.8 -30.2 -21.4 68.4 101.8 240 243 A K H > S+ 0 0 116 2,-0.2 4,-1.1 3,-0.1 3,-0.3 0.969 115.7 42.0 -70.3 -48.8 -17.9 69.5 100.7 241 244 A Y H >> S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 3,-0.8 0.951 109.6 60.8 -63.1 -41.3 -16.2 66.3 102.0 242 245 A L H 3X S+ 0 0 46 -4,-2.8 4,-1.8 1,-0.3 -1,-0.2 0.846 99.6 53.0 -60.3 -39.0 -19.0 64.1 100.6 243 246 A S H 3X S+ 0 0 67 -4,-1.2 4,-1.1 -3,-0.3 -1,-0.3 0.895 112.0 47.4 -64.9 -28.0 -18.5 65.2 97.0 244 247 A I H XX S+ 0 0 11 -4,-1.1 4,-2.1 -3,-0.8 3,-0.6 0.969 107.7 54.2 -76.3 -45.3 -14.8 64.3 97.3 245 248 A V H 3X S+ 0 0 0 -4,-2.7 4,-2.2 -10,-0.3 -2,-0.2 0.895 108.8 50.7 -50.3 -42.5 -15.5 60.9 98.9 246 249 A K H 3X S+ 0 0 104 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.824 106.6 54.5 -66.9 -35.0 -17.8 60.1 95.9 247 250 A E H < S+ 0 0 0 -4,-2.1 3,-0.5 2,-0.2 7,-0.2 0.900 109.9 57.3 -73.0 -37.7 -12.5 58.7 94.9 249 252 A A H 3< S+ 0 0 9 -4,-2.2 3,-0.2 -5,-0.3 -2,-0.2 0.894 114.1 40.4 -61.0 -35.1 -15.2 55.9 95.3 250 253 A N H 3< S+ 0 0 139 -4,-1.8 -1,-0.2 1,-0.2 2,-0.2 0.591 125.3 36.4 -87.7 -7.0 -15.7 56.2 91.5 251 254 A D S+ 0 0 61 -2,-0.2 4,-2.8 -3,-0.2 5,-0.2 0.881 86.6 57.4 -62.7 -35.8 -9.1 54.9 92.5 253 256 A D H > S+ 0 0 114 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.983 106.7 47.4 -60.9 -48.2 -6.5 56.5 90.1 254 257 A K H > S+ 0 0 51 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.917 111.7 52.3 -57.6 -44.0 -7.5 60.0 91.0 255 258 A F H X S+ 0 0 0 -4,-2.1 4,-2.8 -7,-0.2 -1,-0.2 0.948 110.1 48.2 -55.5 -47.6 -7.4 58.8 94.7 256 259 A F H X S+ 0 0 33 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.949 112.3 48.8 -57.8 -46.2 -3.8 57.5 94.2 257 260 A K H X S+ 0 0 108 -4,-2.8 4,-1.8 1,-0.2 5,-0.2 0.940 115.9 42.1 -60.8 -44.4 -2.6 60.7 92.5 258 261 A D H X S+ 0 0 8 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.902 114.1 50.6 -77.5 -35.0 -4.1 62.9 95.3 259 262 A F H X S+ 0 0 3 -4,-2.8 4,-2.7 -5,-0.2 5,-0.3 0.912 109.5 52.8 -62.5 -42.5 -3.0 60.7 98.2 260 263 A S H X S+ 0 0 17 -4,-2.5 4,-2.2 -5,-0.2 3,-0.3 0.989 112.7 43.2 -54.1 -63.0 0.6 60.6 96.8 261 264 A K H X S+ 0 0 116 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.877 118.4 44.4 -50.3 -45.6 0.7 64.5 96.6 262 265 A A H X S+ 0 0 3 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.837 110.2 52.4 -78.7 -25.9 -0.8 65.0 100.0 263 266 A F H X S+ 0 0 4 -4,-2.7 4,-2.3 -3,-0.3 -2,-0.2 0.939 110.8 48.0 -72.1 -41.8 1.1 62.3 101.9 264 267 A E H >X S+ 0 0 35 -4,-2.2 4,-2.3 -5,-0.3 3,-0.5 0.983 111.0 52.1 -59.3 -54.0 4.5 63.8 100.7 265 268 A K H 3X S+ 0 0 61 -4,-2.1 4,-0.5 -5,-0.3 -2,-0.2 0.893 109.4 49.8 -51.3 -40.4 3.2 67.3 101.6 266 269 A L H >< S+ 0 0 3 -4,-2.1 3,-0.5 1,-0.2 -203,-0.3 0.868 111.7 48.0 -64.0 -40.1 2.4 65.9 105.1 267 270 A L H << S+ 0 0 2 -4,-2.3 -2,-0.2 -3,-0.5 -1,-0.2 0.764 115.7 44.6 -72.4 -26.6 5.9 64.3 105.5 268 271 A E H >< S+ 0 0 37 -4,-2.3 3,-1.4 -5,-0.2 -1,-0.2 0.309 79.1 126.3 -99.1 2.3 7.7 67.5 104.3 269 272 A N T << S+ 0 0 20 -3,-0.5 -206,-0.4 -4,-0.5 -205,-0.4 -0.424 75.8 21.5 -64.4 144.5 5.8 70.2 106.3 270 273 A G T 3 S+ 0 0 11 1,-0.2 2,-0.5 -208,-0.1 -1,-0.2 0.420 100.8 111.0 80.2 3.0 8.1 72.4 108.4 271 274 A I < - 0 0 18 -3,-1.4 2,-0.5 -269,-0.1 -267,-0.2 -0.902 55.1-150.4-118.5 126.6 11.3 71.7 106.3 272 275 A T B -a 4 0A 71 -269,-2.8 -267,-2.8 -2,-0.5 -3,-0.0 -0.783 10.3-154.4 -90.0 128.5 13.1 74.0 104.0 273 276 A F - 0 0 45 -2,-0.5 -267,-0.1 -269,-0.2 -269,-0.1 -0.889 10.8-141.1-103.4 115.3 14.9 72.4 100.9 274 277 A P > - 0 0 35 0, 0.0 3,-1.6 0, 0.0 0, 0.0 -0.459 24.0-120.1 -63.7 150.4 17.9 74.4 99.5 275 278 A K T 3 S+ 0 0 182 1,-0.3 4,-0.0 -2,-0.0 -2,-0.0 0.590 112.7 67.1 -80.2 2.2 17.8 74.1 95.7 276 279 A D T 3 S+ 0 0 147 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.786 84.1 105.7 -73.8 -24.5 21.2 72.5 95.7 277 280 A A S < S- 0 0 14 -3,-1.6 -4,-0.0 1,-0.1 -271,-0.0 -0.090 85.6 -91.3 -51.5 143.8 19.4 69.6 97.4 278 281 A P - 0 0 49 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.257 43.0-105.4 -53.9 143.3 18.6 66.4 95.4 279 282 A S - 0 0 91 1,-0.1 -156,-0.1 -3,-0.1 -4,-0.0 -0.334 58.1 -74.5 -54.0 152.7 15.3 66.1 93.6 280 283 A P - 0 0 47 0, 0.0 2,-0.4 0, 0.0 -156,-0.2 -0.228 53.5-121.4 -56.9 136.6 12.8 63.7 95.4 281 284 A F B -C 123 0C 30 -158,-3.1 -158,-2.1 -3,-0.1 2,-0.8 -0.698 12.9-151.7 -80.5 137.1 13.7 60.1 94.9 282 285 A I - 0 0 87 -2,-0.4 2,-0.1 -160,-0.2 -162,-0.0 -0.831 24.0-149.3 -99.9 96.5 11.2 57.6 93.3 283 286 A F - 0 0 0 -2,-0.8 2,-0.2 -162,-0.3 -162,-0.1 -0.448 7.1-126.4 -73.7 137.2 12.1 54.2 94.9 284 287 A K - 0 0 104 -2,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.516 24.2-122.0 -68.1 143.7 11.7 51.0 93.1 285 288 A T >> - 0 0 20 -2,-0.2 4,-1.8 1,-0.1 3,-0.6 -0.546 27.1-105.5 -77.3 158.7 9.7 48.2 94.7 286 289 A L G >4>S+ 0 0 2 1,-0.2 5,-2.3 2,-0.2 3,-0.8 0.952 123.1 52.1 -39.8 -49.4 11.2 44.7 95.4 287 290 A E G >45S+ 0 0 155 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.833 105.6 52.1 -61.6 -40.2 9.1 43.3 92.6 288 291 A E G <45S+ 0 0 106 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.874 114.1 44.5 -64.8 -33.6 10.4 45.9 90.2 289 292 A Q G <<5S- 0 0 57 -4,-1.8 -1,-0.2 -3,-0.8 -2,-0.2 0.246 114.2-115.7 -91.4 2.1 14.0 45.0 91.2 290 293 A G T < 5 0 0 69 -3,-0.9 -3,-0.2 -4,-0.3 -4,-0.1 0.789 360.0 360.0 66.0 26.3 13.3 41.2 91.0 291 294 A L < 0 0 100 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.515 360.0 360.0-107.0 360.0 13.9 40.8 94.8