==== 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 1CCC . 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) . 12905.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 62.2 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 . 7 2.4 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 . 104 35.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 0 122 0, 0.0 2,-0.4 0, 0.0 269,-0.0 0.000 360.0 360.0 360.0 133.6 12.2 78.1 113.6 2 5 A V - 0 0 107 2,-0.0 2,-0.5 270,-0.0 269,-0.1 -0.963 360.0-165.5-114.3 141.5 13.8 77.4 110.2 3 6 A H - 0 0 24 -2,-0.4 269,-2.9 267,-0.4 2,-0.4 -0.903 7.7-161.1-127.6 103.8 14.7 73.7 109.5 4 7 A V B -a 272 0A 70 -2,-0.5 2,-0.4 267,-0.2 269,-0.2 -0.711 21.3-119.4 -92.0 133.8 16.9 73.3 106.5 5 8 A A - 0 0 11 267,-3.0 2,-0.5 -2,-0.4 122,-0.2 -0.572 30.8-172.1 -67.5 122.1 17.2 69.9 104.9 6 9 A S - 0 0 75 120,-2.2 120,-0.2 -2,-0.4 3,-0.1 -0.933 21.7-127.0-115.0 111.9 20.8 68.7 105.0 7 10 A V - 0 0 48 -2,-0.5 3,-0.1 118,-0.1 2,-0.1 -0.178 36.0 -97.5 -53.4 137.2 21.6 65.4 103.1 8 11 A E > - 0 0 19 1,-0.1 3,-2.4 2,-0.1 -1,-0.1 -0.389 60.5 -86.9 -52.9 126.0 23.4 62.7 105.1 9 12 A K T 3 S- 0 0 174 1,-0.3 -1,-0.1 -3,-0.1 3,-0.1 -0.146 104.3 -5.6 -56.3 115.5 27.0 63.2 104.3 10 13 A G T 3 S+ 0 0 75 1,-0.2 -1,-0.3 -3,-0.1 2,-0.3 0.358 97.0 134.8 89.6 -1.0 28.1 61.3 101.2 11 14 A R < + 0 0 91 -3,-2.4 -1,-0.2 87,-0.1 2,-0.2 -0.514 27.4 178.4 -89.2 134.5 24.8 59.5 100.6 12 15 A S >> - 0 0 49 -2,-0.3 4,-1.5 -3,-0.1 3,-0.9 -0.711 48.2 -74.3-117.3-174.3 23.1 59.2 97.3 13 16 A Y H 3> S+ 0 0 61 1,-0.3 4,-2.6 -2,-0.2 5,-0.2 0.861 125.4 54.0 -45.3 -54.6 20.0 57.6 95.8 14 17 A E H 3> S+ 0 0 114 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.819 103.4 56.8 -59.3 -32.4 21.3 54.0 95.9 15 18 A D H <> S+ 0 0 26 -3,-0.9 4,-1.4 2,-0.2 3,-0.3 0.980 111.8 43.0 -59.5 -50.1 22.1 54.3 99.7 16 19 A F H X S+ 0 0 0 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.882 108.2 57.7 -64.0 -41.2 18.5 55.2 100.3 17 20 A Q H X S+ 0 0 14 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.868 104.2 54.6 -56.8 -34.2 17.1 52.5 98.0 18 21 A K H X S+ 0 0 109 -4,-1.7 4,-2.3 -3,-0.3 -1,-0.2 0.882 107.6 48.4 -66.7 -37.8 19.1 49.9 100.1 19 22 A V H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.946 110.9 50.9 -66.9 -43.4 17.3 51.2 103.3 20 23 A Y H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.974 110.2 50.6 -52.4 -59.5 13.9 50.9 101.5 21 24 A N H X S+ 0 0 22 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.898 107.1 53.0 -49.1 -46.2 14.8 47.3 100.4 22 25 A A H X S+ 0 0 17 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.943 112.8 43.9 -56.7 -47.1 15.7 46.3 104.0 23 26 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.951 115.4 49.3 -59.9 -48.9 12.2 47.6 105.3 24 27 A A H X S+ 0 0 1 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.869 111.4 47.7 -60.6 -42.0 10.4 46.0 102.3 25 28 A L H X S+ 0 0 67 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.872 112.3 50.3 -66.7 -40.1 12.2 42.5 102.8 26 29 A K H X S+ 0 0 42 -4,-2.0 4,-2.6 -5,-0.3 -2,-0.2 0.875 107.0 54.3 -71.2 -27.6 11.4 42.7 106.6 27 30 A L H < S+ 0 0 21 -4,-2.1 12,-0.2 2,-0.2 -2,-0.2 0.953 110.5 47.2 -65.8 -44.5 7.7 43.5 105.8 28 31 A R H >< S+ 0 0 138 -4,-1.9 3,-0.6 1,-0.2 -2,-0.2 0.934 115.9 45.9 -55.7 -48.0 7.6 40.3 103.6 29 32 A E H 3< S+ 0 0 132 -4,-2.2 2,-1.3 1,-0.2 3,-0.3 0.925 108.0 52.7 -64.1 -50.2 9.3 38.3 106.3 30 33 A D T >< + 0 0 29 -4,-2.6 3,-0.8 1,-0.2 9,-0.4 -0.218 67.0 139.7 -88.2 57.1 7.3 39.4 109.4 31 34 A D T < + 0 0 89 -2,-1.3 -1,-0.2 -3,-0.6 -2,-0.1 0.638 54.4 71.6 -78.2 -7.4 3.9 38.6 107.9 32 35 A E T 3> + 0 0 93 -3,-0.3 4,-2.0 4,-0.1 3,-0.3 0.724 66.8 119.8 -79.6 -25.0 2.3 37.1 111.0 33 36 A Y H <>>S+ 0 0 38 -3,-0.8 5,-2.5 2,-0.2 4,-1.2 -0.049 80.9 5.1 -47.8 136.3 2.0 40.4 113.0 34 37 A D H >45S- 0 0 40 1,-0.2 3,-1.2 3,-0.2 -1,-0.2 0.954 138.5 -46.6 53.3 61.3 -1.6 41.4 114.1 35 38 A N H 345S- 0 0 148 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.898 113.3 -49.5 47.2 48.7 -3.4 38.3 112.8 36 39 A Y H 3<5S+ 0 0 156 -4,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.707 110.0 116.0 66.0 21.5 -1.6 38.3 109.4 37 40 A I T <<5 - 0 0 13 -3,-1.2 3,-0.3 -4,-1.2 -3,-0.2 0.877 67.1-149.0 -78.3 -35.7 -2.2 41.9 108.6 38 41 A G < - 0 0 10 -5,-2.5 4,-0.4 1,-0.1 -7,-0.1 -0.205 29.2 -69.6 87.0 170.0 1.6 42.5 108.7 39 42 A Y S > S+ 0 0 37 -9,-0.4 4,-1.8 -12,-0.2 5,-0.2 0.548 103.5 95.6 -79.5 -8.3 3.5 45.7 109.8 40 43 A G H > S+ 0 0 4 -3,-0.3 4,-2.0 2,-0.2 3,-0.3 0.939 84.8 45.5 -47.6 -62.6 2.5 47.9 106.7 41 44 A P H > S+ 0 0 15 0, 0.0 4,-2.5 0, 0.0 3,-0.4 0.945 113.0 48.9 -53.3 -50.4 -0.6 49.7 108.3 42 45 A V H > S+ 0 0 20 -4,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.862 109.9 54.9 -63.3 -25.9 1.2 50.5 111.7 43 46 A L H X S+ 0 0 1 -4,-1.8 4,-2.0 -3,-0.3 -1,-0.2 0.865 108.5 45.4 -75.6 -36.0 4.2 51.9 109.7 44 47 A V H X S+ 0 0 8 -4,-2.0 4,-2.1 -3,-0.4 5,-0.2 0.932 111.9 53.4 -77.1 -29.2 2.1 54.3 107.7 45 48 A R H X S+ 0 0 76 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.906 108.5 51.0 -63.2 -36.1 0.3 55.3 111.0 46 49 A L H X S+ 0 0 1 -4,-2.1 4,-1.9 -5,-0.2 5,-0.3 0.958 109.0 49.1 -65.3 -45.0 3.9 56.0 112.5 47 50 A A H X S+ 0 0 0 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.855 113.2 47.9 -63.9 -35.4 4.9 58.2 109.5 48 51 A W H X S+ 0 0 50 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.928 112.0 49.3 -72.2 -42.3 1.5 60.2 109.9 49 52 A H H < S+ 0 0 11 -4,-2.6 4,-0.3 1,-0.2 -2,-0.2 0.808 110.0 47.6 -70.1 -31.7 1.9 60.7 113.7 50 53 A I H < S+ 0 0 5 -4,-1.9 -1,-0.2 -5,-0.2 12,-0.2 0.776 121.3 41.3 -73.8 -25.6 5.5 62.0 113.7 51 54 A S H >< S+ 0 0 0 -4,-0.9 3,-1.4 -5,-0.3 -2,-0.2 0.817 103.4 67.8 -83.6 -31.6 4.4 64.3 110.8 52 55 A G T 3< S+ 0 0 0 -4,-2.6 -1,-0.1 1,-0.3 -3,-0.1 0.510 81.2 75.5 -71.3 -10.2 1.0 65.3 112.4 53 56 A T T 3 S+ 0 0 6 -4,-0.3 -1,-0.3 -3,-0.2 2,-0.2 0.484 70.3 125.8 -79.2 -3.9 2.5 67.2 115.3 54 57 A W < - 0 0 21 -3,-1.4 2,-0.6 7,-0.2 7,-0.2 -0.346 44.0-161.7 -67.2 134.8 3.4 70.2 113.0 55 58 A D B >>> -B 60 0B 30 5,-2.5 4,-1.0 -2,-0.2 5,-0.8 -0.917 7.5-158.9-113.3 116.4 2.2 73.7 113.8 56 59 A K T 345S+ 0 0 74 101,-2.0 -1,-0.1 -2,-0.6 102,-0.1 0.704 84.9 67.1 -61.9 -19.5 2.3 76.1 110.9 57 60 A H T 345S+ 0 0 129 1,-0.2 -1,-0.2 100,-0.2 100,-0.0 0.887 121.3 9.6 -76.5 -37.7 2.3 79.1 113.2 58 61 A D T <45S- 0 0 76 -3,-0.7 -1,-0.2 2,-0.1 -2,-0.2 0.220 99.0-117.0-122.9 11.2 5.7 78.7 114.8 59 62 A N T <5 + 0 0 28 -4,-1.0 -3,-0.2 1,-0.2 2,-0.2 0.765 65.7 143.7 57.6 22.8 7.2 75.9 112.6 60 63 A T B < +B 55 0B 31 -5,-0.8 -5,-2.5 -7,-0.0 -1,-0.2 -0.549 46.0 14.2 -85.7 164.5 7.4 73.5 115.6 61 64 A G S S+ 0 0 14 73,-0.4 3,-0.2 -7,-0.2 -7,-0.2 -0.244 70.9 113.6 69.7-161.6 6.7 69.7 115.4 62 65 A G S S- 0 0 6 -12,-0.2 3,-0.5 -13,-0.2 5,-0.3 -0.099 82.8 -60.1 81.3 177.7 6.5 67.7 112.1 63 66 A S S > S+ 0 0 2 203,-0.3 3,-1.2 206,-0.3 -1,-0.2 0.712 106.2 88.6 -73.5 -21.1 8.9 65.0 110.7 64 67 A Y T 3 S+ 0 0 22 205,-0.4 38,-0.3 1,-0.2 64,-0.2 0.837 88.2 40.9 -47.7 -51.4 12.2 66.9 110.6 65 68 A G T 3 S- 0 0 6 -3,-0.5 65,-1.6 -4,-0.2 -1,-0.2 0.500 90.7-134.6 -88.0 -3.8 13.7 66.4 114.0 66 69 A G X + 0 0 3 -3,-1.2 3,-1.7 -4,-0.2 4,-0.1 0.778 46.8 157.3 57.0 30.6 12.9 62.7 114.6 67 70 A T G > + 0 0 7 -5,-0.3 3,-2.0 1,-0.3 6,-0.4 0.571 47.8 87.6 -71.7 -7.0 11.7 63.6 118.1 68 71 A Y G 3 S+ 0 0 1 1,-0.3 -1,-0.3 5,-0.2 6,-0.1 0.765 77.3 73.7 -58.4 -19.9 9.4 60.5 118.5 69 72 A R G < S+ 0 0 76 -3,-1.7 2,-0.3 4,-0.1 -1,-0.3 0.668 83.1 86.8 -65.3 -19.3 12.7 58.9 119.8 70 73 A F S <> S- 0 0 28 -3,-2.0 4,-2.8 -4,-0.1 3,-0.5 -0.693 89.0-118.1 -89.3 145.5 12.3 60.9 123.0 71 74 A K H > S+ 0 0 138 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.826 107.2 56.4 -44.9 -53.3 10.2 59.7 125.9 72 75 A K H 4 S+ 0 0 85 1,-0.2 -1,-0.2 2,-0.2 -4,-0.1 0.906 117.6 33.2 -48.4 -54.4 7.6 62.6 125.9 73 76 A E H >4 S+ 0 0 4 -3,-0.5 3,-1.0 -6,-0.4 -1,-0.2 0.857 117.2 55.9 -71.4 -39.4 6.5 62.0 122.3 74 77 A F H 3< S+ 0 0 45 -4,-2.8 -2,-0.2 -7,-0.3 -3,-0.2 0.894 112.2 43.1 -60.8 -40.4 7.1 58.2 122.5 75 78 A N T 3< S+ 0 0 104 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.270 79.8 133.8 -92.0 9.1 4.7 57.9 125.6 76 79 A D X - 0 0 10 -3,-1.0 3,-2.7 -5,-0.2 4,-0.2 -0.472 61.9-130.7 -55.4 122.3 2.1 60.3 124.2 77 80 A P G > S+ 0 0 100 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.866 108.0 58.9 -43.9 -40.1 -1.4 58.5 124.8 78 81 A S G 3 S+ 0 0 41 1,-0.3 -2,-0.1 63,-0.1 -3,-0.0 0.632 101.3 55.9 -66.6 -15.2 -2.3 59.2 121.1 79 82 A N G X S+ 0 0 0 -3,-2.7 3,-2.0 -6,-0.1 4,-0.4 0.243 74.0 139.5 -98.1 7.9 0.8 57.2 120.0 80 83 A A T < S+ 0 0 27 -3,-1.7 101,-0.1 1,-0.2 -5,-0.1 -0.306 71.5 23.1 -58.1 128.9 -0.2 54.0 121.9 81 84 A G T > S+ 0 0 5 99,-0.1 3,-1.0 100,-0.1 4,-0.4 0.140 94.0 99.6 99.9 -20.3 0.6 50.9 119.7 82 85 A L T X> + 0 0 0 -3,-2.0 4,-1.8 1,-0.2 3,-1.0 0.762 61.2 81.0 -75.0 -16.8 3.2 52.7 117.6 83 86 A Q H 3> S+ 0 0 44 -4,-0.4 4,-2.7 1,-0.3 -1,-0.2 0.772 85.1 62.9 -53.9 -29.4 6.1 51.1 119.7 84 87 A N H <> S+ 0 0 51 -3,-1.0 4,-1.9 2,-0.2 -1,-0.3 0.885 104.0 44.4 -64.5 -43.6 5.5 48.1 117.5 85 88 A G H <> S+ 0 0 0 -3,-1.0 4,-1.6 -4,-0.4 -2,-0.2 0.848 112.6 53.0 -73.3 -30.8 6.5 50.0 114.3 86 89 A F H X S+ 0 0 46 -4,-1.8 4,-1.8 2,-0.2 3,-0.2 0.962 109.2 48.2 -64.4 -49.1 9.5 51.5 116.2 87 90 A K H < S+ 0 0 116 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.896 108.8 55.5 -61.6 -38.3 10.7 48.1 117.3 88 91 A F H < S+ 0 0 4 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.887 112.6 41.7 -56.5 -42.9 10.3 46.9 113.6 89 92 A L H X S+ 0 0 1 -4,-1.6 4,-1.9 -3,-0.2 3,-0.4 0.739 93.4 83.4 -82.4 -22.5 12.5 49.6 112.3 90 93 A E H X S+ 0 0 79 -4,-1.8 4,-1.8 1,-0.2 5,-0.2 0.883 90.2 48.2 -53.6 -48.1 15.2 49.5 115.1 91 94 A P H > S+ 0 0 63 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.868 110.7 54.8 -56.7 -34.7 17.3 46.6 113.5 92 95 A I H > S+ 0 0 5 -4,-0.4 4,-1.5 -3,-0.4 -2,-0.2 0.894 105.9 50.7 -69.9 -33.2 17.1 48.5 110.2 93 96 A H H < S+ 0 0 46 -4,-1.9 -1,-0.2 2,-0.2 6,-0.2 0.866 107.3 52.6 -71.6 -35.4 18.6 51.5 111.9 94 97 A K H < S+ 0 0 140 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.857 111.0 50.3 -64.3 -31.2 21.5 49.4 113.4 95 98 A E H < S+ 0 0 126 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.809 121.9 29.7 -71.8 -36.1 22.1 48.2 109.9 96 99 A F S >< S+ 0 0 22 -4,-1.5 3,-1.7 -5,-0.1 -1,-0.3 -0.625 71.2 168.5-122.9 75.2 22.2 51.7 108.3 97 100 A P T 3 + 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.699 68.5 67.4 -69.8 -15.9 23.5 53.9 111.3 98 101 A W T 3 S+ 0 0 54 -3,-0.1 2,-0.3 2,-0.1 -89,-0.1 0.619 77.4 96.1 -77.1 -18.4 24.1 56.9 109.0 99 102 A I S < S- 0 0 5 -3,-1.7 2,-0.1 -6,-0.2 -3,-0.1 -0.596 77.2-120.4 -76.1 138.8 20.3 57.6 108.3 100 103 A S > - 0 0 14 -2,-0.3 4,-2.2 27,-0.2 5,-0.2 -0.415 20.3-117.7 -68.8 159.0 18.6 60.2 110.4 101 104 A S H > S+ 0 0 8 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.966 113.2 49.9 -61.0 -50.3 15.5 59.2 112.5 102 105 A G H > S+ 0 0 0 -38,-0.3 4,-2.0 1,-0.2 5,-0.3 0.886 112.2 49.7 -58.4 -40.3 13.0 61.5 110.8 103 106 A D H > S+ 0 0 0 24,-0.2 4,-2.4 -39,-0.2 -1,-0.2 0.925 114.1 44.8 -61.9 -42.9 14.2 60.2 107.4 104 107 A L H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.942 113.2 49.1 -67.6 -46.1 13.9 56.6 108.5 105 108 A F H X S+ 0 0 5 -4,-3.2 4,-1.0 1,-0.2 -1,-0.2 0.880 116.9 42.2 -62.9 -37.2 10.4 57.0 110.2 106 109 A S H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.884 111.9 53.3 -76.2 -40.1 9.1 58.8 107.1 107 110 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.3 5,-0.2 0.906 102.6 60.2 -59.8 -39.1 10.7 56.4 104.6 108 111 A G H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.916 105.8 47.1 -55.0 -42.2 9.1 53.4 106.5 109 112 A G H X S+ 0 0 0 -4,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.915 112.9 49.4 -65.2 -40.7 5.6 54.9 105.7 110 113 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.911 112.4 47.8 -61.4 -42.6 6.6 55.4 102.0 111 114 A T H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.940 110.9 51.3 -67.8 -41.5 7.9 51.8 101.8 112 115 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 6,-0.3 0.958 109.9 48.3 -62.3 -49.0 4.7 50.4 103.4 113 116 A V H <>S+ 0 0 0 -4,-2.2 5,-2.5 1,-0.2 82,-0.2 0.921 116.2 42.5 -58.0 -46.3 2.3 52.2 101.1 114 117 A Q H ><5S+ 0 0 6 -4,-2.1 3,-1.1 1,-0.2 -1,-0.2 0.889 113.8 50.2 -74.5 -33.7 4.2 51.1 97.9 115 118 A E H 3<5S+ 0 0 42 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.818 104.6 59.7 -72.9 -22.7 4.8 47.6 99.0 116 119 A M T 3<5S- 0 0 15 -4,-2.3 79,-3.1 -5,-0.2 -1,-0.3 0.081 130.4 -97.1 -88.1 28.7 1.0 47.3 99.9 117 120 A Q T < 5S+ 0 0 126 -3,-1.1 -3,-0.2 77,-0.2 -2,-0.2 0.683 80.6 142.6 62.3 26.9 0.4 48.1 96.2 118 121 A G < - 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0 0 43 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.119 27.3-122.0 -71.6 147.6 -6.6 64.6 116.5 143 146 A D - 0 0 76 1,-0.1 3,-0.3 7,-0.0 7,-0.0 -0.603 8.8-147.5 -79.2 147.2 -9.6 63.2 118.5 144 147 A A S S+ 0 0 23 -2,-0.2 87,-3.0 1,-0.2 88,-0.3 0.650 86.8 65.8 -87.1 -17.5 -11.8 60.3 117.1 145 148 A D S S+ 0 0 93 85,-0.2 -1,-0.2 86,-0.1 2,-0.2 -0.182 86.2 93.4 -97.4 38.6 -15.1 61.3 118.6 146 149 A K - 0 0 70 -3,-0.3 88,-0.3 -2,-0.3 2,-0.1 -0.612 64.7-101.9-129.8-171.1 -15.8 64.6 116.7 147 150 A D > - 0 0 95 -2,-0.2 4,-1.9 86,-0.1 3,-0.1 -0.411 38.9 -90.9-113.0-176.4 -17.4 66.1 113.7 148 151 A A H > S+ 0 0 7 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.811 122.7 57.0 -64.3 -24.0 -16.6 67.4 110.2 149 152 A G H > S+ 0 0 36 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.901 106.2 49.1 -72.6 -43.2 -16.1 71.0 111.6 150 153 A Y H > S+ 0 0 58 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.922 110.3 52.6 -57.3 -45.5 -13.4 69.7 114.0 151 154 A V H X S+ 0 0 6 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.902 109.2 47.5 -57.4 -48.5 -11.8 67.9 111.0 152 155 A R H X S+ 0 0 58 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.972 116.1 44.3 -57.8 -49.8 -11.6 71.0 108.8 153 156 A T H X S+ 0 0 94 -4,-2.0 4,-0.8 1,-0.2 3,-0.2 0.861 111.8 52.9 -63.9 -42.8 -10.2 73.2 111.6 154 157 A F H >< S+ 0 0 19 -4,-2.8 3,-1.2 1,-0.2 4,-0.3 0.953 110.0 46.7 -58.6 -51.9 -7.7 70.5 112.8 155 158 A F H ><>S+ 0 0 14 -4,-2.2 5,-2.6 1,-0.3 3,-1.0 0.698 96.4 72.9 -72.1 -15.0 -6.2 70.1 109.4 156 159 A Q H ><5S+ 0 0 79 -4,-1.2 3,-1.5 -3,-0.2 -1,-0.3 0.828 88.7 64.0 -61.2 -35.8 -5.9 73.9 108.8 157 160 A R T <<5S+ 0 0 37 -3,-1.2 -101,-2.0 -4,-0.8 -1,-0.2 0.734 110.9 35.9 -60.3 -19.8 -3.0 73.8 111.4 158 161 A L T < 5S- 0 0 0 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.092 118.9-118.6-113.0 18.5 -1.0 71.6 108.9 159 162 A N T < 5 + 0 0 71 -3,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.780 58.6 153.5 10.0 69.5 -2.5 73.5 106.1 160 163 A M < - 0 0 9 -5,-2.6 -1,-0.2 -8,-0.1 -2,-0.1 -0.795 31.4-147.2 -96.7 125.9 -4.3 70.8 104.5 161 164 A N > - 0 0 90 -2,-0.4 4,-2.5 -5,-0.0 5,-0.2 -0.400 37.6 -82.0 -87.5-175.5 -7.4 71.8 102.4 162 165 A D H > S+ 0 0 36 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.886 127.1 46.5 -55.5 -46.8 -10.7 69.7 101.9 163 166 A R H > S+ 0 0 74 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.923 113.2 49.6 -62.9 -44.6 -9.4 67.5 99.1 164 167 A E H > S+ 0 0 40 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.865 110.8 50.6 -62.8 -38.4 -6.1 66.7 100.9 165 168 A V H X S+ 0 0 2 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.934 113.1 45.1 -65.5 -42.9 -8.0 65.9 104.1 166 169 A V H X S+ 0 0 0 -4,-2.4 4,-0.7 -5,-0.2 -2,-0.2 0.930 114.3 49.1 -72.3 -36.5 -10.3 63.5 102.2 167 170 A A H >< S+ 0 0 0 -4,-3.0 3,-1.6 1,-0.2 4,-0.4 0.983 111.6 48.9 -63.5 -51.2 -7.4 61.9 100.3 168 171 A L H >< S+ 0 0 19 -4,-2.5 3,-1.3 1,-0.3 -1,-0.2 0.832 103.7 60.8 -56.0 -31.6 -5.4 61.4 103.5 169 172 A M H >< S+ 0 0 28 -4,-1.6 3,-2.0 1,-0.3 -1,-0.3 0.751 82.9 79.3 -74.0 -18.6 -8.3 59.8 105.3 170 173 A G G X< S+ 0 0 2 -3,-1.6 3,-1.3 -4,-0.7 29,-0.3 0.756 72.3 81.7 -61.1 -17.7 -8.4 57.0 102.7 171 174 A A G X S+ 0 0 20 -3,-1.3 3,-1.6 -4,-0.4 -1,-0.3 0.683 72.5 81.5 -62.9 -11.6 -5.4 55.5 104.7 172 175 A H G < + 0 0 52 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.1 0.164 69.4 75.1 -85.5 17.5 -8.2 54.2 107.0 173 176 A A G < S+ 0 0 3 -3,-1.3 2,-0.4 23,-0.1 -1,-0.3 0.529 88.0 86.6 -82.4 -15.0 -8.9 51.2 104.6 174 177 A L S < S- 0 0 11 -3,-1.6 19,-0.2 -4,-0.2 2,-0.1 -0.646 95.4 -26.9 -91.7 134.8 -5.6 49.9 106.2 175 178 A G S S- 0 0 2 17,-2.8 13,-0.9 -2,-0.4 14,-0.3 -0.415 77.6-101.1 71.0-139.7 -5.2 47.9 109.3 176 179 A K E -D 187 0D 45 11,-0.2 2,-0.3 -2,-0.1 -3,-0.0 -0.980 25.7 -84.2-168.3 174.1 -7.7 48.2 112.2 177 180 A T E -D 186 0D 8 9,-2.7 9,-1.4 -2,-0.3 2,-0.4 -0.713 34.3-154.0 -95.2 152.3 -8.5 49.7 115.6 178 181 A H >> - 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0 0 31 -2,-0.6 3,-0.5 -26,-0.2 -23,-0.1 -0.916 66.5 -98.8-142.3 179.5 -7.3 50.5 97.8 197 200 A N S >> S+ 0 0 16 -2,-0.3 4,-1.4 1,-0.2 3,-1.0 0.240 79.8 121.7 -88.1 23.9 -10.3 53.0 97.7 198 201 A E H 3> + 0 0 21 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.804 58.7 67.9 -57.7 -34.0 -12.3 50.7 100.0 199 202 A F H 3> S+ 0 0 4 -3,-0.5 4,-2.0 -29,-0.3 -1,-0.2 0.912 105.4 41.4 -50.8 -43.7 -12.7 53.4 102.7 200 203 A Y H <> S+ 0 0 0 -3,-1.0 4,-2.6 2,-0.2 -1,-0.2 0.909 112.9 51.7 -75.5 -45.6 -15.0 55.5 100.5 201 204 A L H X S+ 0 0 64 -4,-1.4 4,-3.0 2,-0.2 5,-0.3 0.974 113.1 47.0 -57.8 -49.2 -17.0 52.6 99.1 202 205 A N H X S+ 0 0 15 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.894 110.3 51.9 -55.7 -43.3 -17.6 51.4 102.6 203 206 A L H < S+ 0 0 4 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.933 119.1 36.3 -62.3 -42.5 -18.6 54.8 103.8 204 207 A L H < S+ 0 0 58 -4,-2.6 -2,-0.2 1,-0.1 -1,-0.2 0.772 125.9 35.9 -82.5 -25.1 -21.1 55.2 100.9 205 208 A N H < S+ 0 0 113 -4,-3.0 2,-0.2 -5,-0.2 -3,-0.2 0.569 91.4 90.5-111.6 -8.4 -22.4 51.5 100.7 206 209 A E S < S- 0 0 47 -4,-1.9 2,-1.3 -5,-0.3 16,-0.0 -0.600 73.7-122.5 -90.4 155.1 -22.6 50.0 104.2 207 210 A D - 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0 0 18 -2,-0.3 4,-2.7 -10,-0.2 3,-0.6 -0.599 29.1-120.2 -65.4 138.8 -14.7 56.3 114.0 230 233 A P H 3> S+ 0 0 21 0, 0.0 4,-2.3 0, 0.0 -85,-0.2 0.911 114.5 54.8 -42.6 -45.9 -17.2 59.2 114.5 231 234 A T H 34 S+ 0 0 18 -87,-3.0 4,-0.3 1,-0.2 -86,-0.1 0.866 112.4 42.2 -62.4 -34.7 -14.6 61.7 113.1 232 235 A A H X4 S+ 0 0 2 -3,-0.6 3,-1.3 -88,-0.3 -1,-0.2 0.878 109.2 55.0 -80.6 -38.5 -14.2 59.6 110.0 233 236 A Y H >X S+ 0 0 39 -4,-2.7 3,-2.4 1,-0.2 4,-0.5 0.910 93.5 77.9 -61.1 -33.9 -18.0 59.0 109.5 234 237 A S H >X S+ 0 0 1 -4,-2.3 3,-1.4 -88,-0.3 4,-1.0 0.790 73.2 78.5 -35.8 -35.5 -18.3 62.9 109.7 235 238 A L H <4 S+ 0 0 0 -3,-1.3 -1,-0.3 -4,-0.3 10,-0.2 0.706 92.2 48.8 -60.0 -18.1 -17.1 63.0 106.1 236 239 A I H <4 S+ 0 0 41 -3,-2.4 -1,-0.3 -4,-0.2 -2,-0.2 0.685 104.8 59.4 -93.9 -11.5 -20.6 62.1 104.7 237 240 A Q H << S+ 0 0 121 -3,-1.4 -2,-0.2 -4,-0.5 -1,-0.1 0.606 93.5 73.2 -85.3 -19.2 -22.4 64.7 106.9 238 241 A D S X S- 0 0 26 -4,-1.0 4,-2.7 1,-0.1 5,-0.2 -0.881 75.4-145.7 -96.0 125.1 -20.5 67.7 105.4 239 242 A P H > S+ 0 0 103 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.856 98.7 49.1 -59.8 -36.6 -21.6 68.6 101.8 240 243 A K H > S+ 0 0 114 2,-0.2 4,-1.2 1,-0.1 3,-0.4 0.990 115.0 43.1 -66.2 -53.0 -18.1 69.6 100.7 241 244 A Y H >> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 3,-0.5 0.919 109.8 59.0 -56.0 -41.3 -16.4 66.4 102.0 242 245 A L H 3X S+ 0 0 46 -4,-2.7 4,-2.1 1,-0.3 -1,-0.2 0.874 100.4 53.6 -63.6 -38.4 -19.2 64.2 100.7 243 246 A S H 3X S+ 0 0 70 -4,-1.4 4,-1.0 -3,-0.4 -1,-0.3 0.882 111.2 47.2 -66.1 -30.5 -18.7 65.2 97.0 244 247 A I H S+ 0 0 64 -2,-0.4 4,-2.8 -3,-0.2 5,-0.2 0.862 84.6 57.7 -61.6 -35.0 -9.4 54.8 92.5 253 256 A D H > S+ 0 0 117 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.949 106.3 48.9 -63.1 -39.7 -6.7 56.3 90.2 254 257 A K H > S+ 0 0 50 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.944 111.0 51.1 -61.1 -48.4 -7.8 59.9 91.2 255 258 A F H X S+ 0 0 0 -4,-2.1 4,-3.0 -7,-0.2 5,-0.3 0.948 110.0 49.9 -53.6 -52.2 -7.6 58.8 94.8 256 259 A F H X S+ 0 0 34 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.911 112.0 46.9 -54.9 -46.9 -4.0 57.3 94.3 257 260 A K H X S+ 0 0 110 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.960 117.1 43.4 -60.8 -44.9 -2.7 60.6 92.6 258 261 A D H X S+ 0 0 7 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.918 112.4 51.2 -69.5 -42.5 -4.2 62.8 95.3 259 262 A F H X S+ 0 0 1 -4,-3.0 4,-2.6 -5,-0.2 5,-0.3 0.899 108.9 53.8 -59.3 -39.0 -3.2 60.6 98.2 260 263 A S H X S+ 0 0 17 -4,-2.0 4,-2.2 -5,-0.3 5,-0.2 0.976 112.2 42.2 -61.5 -51.0 0.4 60.7 96.8 261 264 A K H X S+ 0 0 114 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.952 117.9 47.1 -58.8 -49.5 0.6 64.5 96.7 262 265 A A H X S+ 0 0 2 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.837 111.3 48.8 -65.4 -37.3 -1.1 64.9 100.1 263 266 A F H X S+ 0 0 4 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.934 111.6 48.8 -71.4 -42.7 1.1 62.3 101.9 264 267 A E H X S+ 0 0 36 -4,-2.2 4,-1.6 -5,-0.3 -2,-0.2 0.962 112.0 50.4 -57.9 -46.5 4.4 63.8 100.6 265 268 A K H X S+ 0 0 59 -4,-2.3 4,-1.6 1,-0.2 3,-0.4 0.934 109.7 51.3 -58.5 -44.7 3.2 67.3 101.6 266 269 A L H < S+ 0 0 3 -4,-2.3 -203,-0.3 1,-0.2 -1,-0.2 0.875 111.9 45.5 -56.7 -44.1 2.3 65.9 105.1 267 270 A L H < S+ 0 0 3 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.624 117.5 45.3 -76.5 -18.8 5.8 64.3 105.5 268 271 A E H >< S+ 0 0 35 -4,-1.6 3,-1.9 -3,-0.4 -2,-0.2 0.566 78.5 126.3-101.4 -9.8 7.6 67.5 104.2 269 272 A N T 3< S+ 0 0 20 -4,-1.6 -205,-0.4 1,-0.2 -206,-0.3 -0.223 76.7 18.9 -52.3 133.0 5.8 70.3 106.1 270 273 A G T 3 S+ 0 0 15 1,-0.2 2,-0.5 -208,-0.1 -267,-0.4 0.274 98.2 112.9 93.1 -6.7 8.1 72.5 108.0 271 274 A I < - 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