==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSFER 21-AUG-02 1H32 . COMPND 2 MOLECULE: DIHEME CYTOCHROME C; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOVULUM SULFIDOPHILUM; . AUTHOR V.A.BAMFORD,S.BRUNO,T.RASMUSSEN,C.APPIA-AYME,M.R.CHEESMAN, . 395 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18390.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 262 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 0.3 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 . 19 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 15.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 4 2 1 0 0 2 1 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 5 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 4 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 1 A G > 0 0 15 0, 0.0 3,-1.3 0, 0.0 37,-0.1 0.000 360.0 360.0 360.0 167.0 3.5 56.5 29.6 2 2 A P T 3 + 0 0 67 0, 0.0 34,-0.1 0, 0.0 35,-0.0 0.766 360.0 38.7 -60.9 -29.9 3.1 59.6 27.5 3 3 A D T 3 S+ 0 0 113 2,-0.1 14,-0.1 14,-0.0 33,-0.0 0.238 90.2 114.5-109.2 13.6 -0.4 60.4 28.3 4 4 A D S < S- 0 0 83 -3,-1.3 2,-0.2 1,-0.1 12,-0.1 -0.506 71.7-103.0 -81.2 151.9 -0.3 59.4 32.0 5 5 A P - 0 0 101 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.532 24.2-144.6 -76.4 140.3 -0.8 62.1 34.7 6 6 A L E +A 14 0A 0 8,-0.6 8,-2.2 -2,-0.2 2,-0.4 -0.930 24.7 169.1-101.7 118.0 2.1 63.5 36.7 7 7 A V E -A 13 0A 44 -2,-0.6 2,-0.5 6,-0.2 6,-0.2 -0.983 22.2-144.5-121.7 140.9 1.4 64.3 40.3 8 8 A I E >> S-A 12 0A 0 4,-2.3 4,-2.4 -2,-0.4 3,-2.2 -0.926 74.3 -13.4-111.3 130.8 4.2 65.1 42.7 9 9 A N T 34 S- 0 0 48 38,-2.6 -1,-0.2 -2,-0.5 39,-0.1 0.638 112.8 -76.4 59.1 17.0 4.2 64.1 46.4 10 10 A G T 34 S+ 0 0 72 37,-0.5 -1,-0.3 2,-0.2 3,-0.1 0.574 131.3 70.0 76.8 5.6 0.5 63.2 46.1 11 11 A E T <4 S+ 0 0 156 -3,-2.2 2,-0.6 1,-0.2 -2,-0.2 0.675 76.4 69.4-127.1 -34.2 -0.1 67.0 46.2 12 12 A I E < -A 8 0A 35 -4,-2.4 -4,-2.3 2,-0.0 2,-0.4 -0.881 61.3-148.9-114.7 114.2 1.0 68.9 43.1 13 13 A E E -A 7 0A 136 -2,-0.6 2,-0.5 -6,-0.2 -6,-0.2 -0.679 14.0-158.4 -78.2 128.1 -0.7 68.6 39.7 14 14 A I E -A 6 0A 9 -8,-2.2 2,-0.7 -2,-0.4 -8,-0.6 -0.948 12.1-141.0-109.6 123.7 1.6 69.0 36.8 15 15 A V + 0 0 67 -2,-0.5 238,-2.2 1,-0.2 3,-0.1 -0.741 29.4 167.9 -76.6 115.0 0.3 69.9 33.4 16 16 A T + 0 0 14 -2,-0.7 17,-2.8 1,-0.2 2,-0.4 0.494 63.6 42.4-108.6 -10.1 2.4 67.9 31.1 17 17 A R E +B 32 0B 63 15,-0.2 15,-0.2 234,-0.1 -1,-0.2 -0.998 69.5 162.1-136.2 134.3 0.4 68.3 27.9 18 18 A A E -B 31 0B 9 13,-2.5 13,-2.7 -2,-0.4 234,-0.1 -0.980 45.2 -81.5-148.8 160.1 -1.1 71.7 26.8 19 19 A P - 0 0 115 0, 0.0 11,-0.2 0, 0.0 3,-0.1 -0.320 61.2 -95.5 -63.0 147.2 -2.5 73.4 23.7 20 20 A T - 0 0 22 9,-0.4 5,-0.2 8,-0.2 229,-0.1 -0.394 43.6-104.5 -67.1 132.8 0.3 74.8 21.5 21 21 A P >> - 0 0 17 0, 0.0 3,-2.1 0, 0.0 4,-0.7 -0.237 32.1-113.2 -54.4 147.2 1.1 78.5 22.2 22 22 A A G >4 S+ 0 0 99 1,-0.3 3,-1.0 2,-0.2 4,-0.3 0.872 115.9 57.6 -54.3 -38.6 -0.3 80.7 19.5 23 23 A H G 34 S+ 0 0 58 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.686 117.5 33.7 -65.9 -15.7 3.1 81.7 18.2 24 24 A L G X> S+ 0 0 3 -3,-2.1 3,-2.6 1,-0.1 4,-0.9 0.293 81.4 113.1-119.2 3.8 4.0 78.0 17.6 25 25 A A T << S+ 0 0 52 -3,-1.0 3,-0.3 -4,-0.7 -2,-0.1 0.800 70.4 62.7 -58.7 -31.3 0.6 76.6 16.6 26 26 A D T 34 S+ 0 0 155 -4,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.673 108.0 43.8 -59.0 -19.5 1.8 75.8 13.0 27 27 A R T <4 S+ 0 0 130 -3,-2.6 2,-0.4 1,-0.2 -1,-0.2 0.708 112.3 32.6-110.2 -24.9 4.3 73.4 14.3 28 28 A F < - 0 0 7 -4,-0.9 -1,-0.2 -3,-0.3 -8,-0.2 -0.999 54.5-144.1-137.3 141.6 2.8 71.1 17.0 29 29 A D S S- 0 0 169 -2,-0.4 -9,-0.4 1,-0.3 2,-0.3 0.772 93.3 -14.1 -69.0 -27.3 -0.6 69.7 17.7 30 30 A E S S- 0 0 65 -11,-0.2 2,-0.3 -3,-0.1 -1,-0.3 -0.950 73.0-111.3-163.5 159.0 0.1 70.2 21.4 31 31 A I E -B 18 0B 0 -13,-2.7 -13,-2.5 -2,-0.3 2,-0.4 -0.770 33.6-164.4-100.3 151.9 3.1 70.9 23.6 32 32 A R E -B 17 0B 11 -2,-0.3 164,-0.3 -15,-0.2 -15,-0.2 -0.982 20.7-113.7-140.2 140.8 4.5 68.3 26.0 33 33 A S > - 0 0 0 -17,-2.8 3,-1.6 -2,-0.4 4,-0.2 -0.393 31.1-119.0 -65.6 148.2 6.8 68.0 28.9 34 34 A G G > S+ 0 0 4 1,-0.3 3,-1.7 2,-0.2 4,-0.3 0.760 112.4 72.5 -56.6 -23.9 10.0 66.1 28.5 35 35 A W G > S+ 0 0 4 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.845 86.2 63.7 -58.0 -33.1 8.6 63.9 31.2 36 36 A T G < S+ 0 0 2 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.564 99.5 53.2 -73.9 -7.4 6.1 62.5 28.7 37 37 A F G < S+ 0 0 5 -3,-1.7 -1,-0.3 -4,-0.2 2,-0.2 0.370 91.5 96.9-104.2 2.4 8.9 61.0 26.6 38 38 A R S < S- 0 0 28 -3,-1.4 222,-0.0 -4,-0.3 -3,-0.0 -0.548 81.1 -99.4 -92.6 157.2 10.6 59.1 29.5 39 39 A T > - 0 0 88 -2,-0.2 4,-2.7 1,-0.1 3,-0.2 -0.275 38.9-105.4 -65.8 160.4 10.2 55.4 30.4 40 40 A D H > S+ 0 0 110 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.865 119.1 55.6 -58.6 -39.0 7.8 54.5 33.2 41 41 A D H > S+ 0 0 111 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.914 112.1 41.3 -62.7 -42.4 10.7 53.8 35.6 42 42 A T H >> S+ 0 0 19 -3,-0.2 3,-0.9 1,-0.2 4,-0.6 0.897 110.6 57.9 -72.9 -38.6 12.2 57.3 35.1 43 43 A Q H >< S+ 0 0 9 -4,-2.7 3,-0.9 1,-0.2 4,-0.4 0.846 100.5 58.3 -56.1 -37.4 8.8 59.0 35.2 44 44 A A H >< S+ 0 0 34 -4,-1.8 3,-1.2 1,-0.2 4,-0.4 0.789 92.8 67.6 -66.1 -28.2 8.2 57.5 38.6 45 45 A L H << S+ 0 0 46 -3,-0.9 3,-0.4 -4,-0.7 -1,-0.2 0.767 99.7 49.8 -65.7 -24.0 11.4 59.2 40.1 46 46 A E T << S+ 0 0 0 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.583 94.0 76.3 -86.7 -11.2 9.8 62.7 39.6 47 47 A M S < S+ 0 0 84 -3,-1.2 -38,-2.6 -4,-0.4 -37,-0.5 0.631 100.9 34.4 -78.5 -13.0 6.5 61.7 41.4 48 48 A D >> - 0 0 52 -3,-0.4 3,-2.3 -4,-0.4 4,-0.7 -0.970 69.3-143.5-144.7 122.0 8.0 61.8 44.9 49 49 A D G >4 S+ 0 0 33 -2,-0.4 3,-0.6 1,-0.3 6,-0.3 0.795 102.5 66.1 -56.8 -26.3 10.6 64.2 46.2 50 50 A F G 34 S+ 0 0 199 1,-0.2 -1,-0.3 5,-0.1 -5,-0.1 0.747 108.1 39.0 -64.1 -23.6 12.0 61.3 48.3 51 51 A E G <4 S+ 0 0 102 -3,-2.3 2,-0.9 -6,-0.2 -1,-0.2 0.484 95.8 92.1-101.8 -7.2 12.9 59.5 45.0 52 52 A N X< - 0 0 3 -4,-0.7 3,-1.9 -3,-0.6 4,-0.4 -0.790 58.7-164.1 -96.5 103.0 14.1 62.6 43.1 53 53 A S T >> S+ 0 0 56 -2,-0.9 3,-1.3 1,-0.3 4,-0.7 0.793 85.5 69.9 -63.3 -20.5 17.8 63.0 43.7 54 54 A G H 3> S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 3,-0.4 0.815 88.2 64.6 -60.6 -29.1 17.6 66.6 42.5 55 55 A M H <> S+ 0 0 28 -3,-1.9 4,-2.4 -6,-0.3 -1,-0.2 0.711 87.2 68.8 -75.8 -14.0 15.7 67.4 45.6 56 56 A V H <> S+ 0 0 85 -3,-1.3 4,-1.7 -4,-0.4 -1,-0.2 0.940 103.3 44.9 -63.9 -44.3 18.8 66.6 47.8 57 57 A F H X S+ 0 0 59 -4,-0.7 4,-2.6 -3,-0.4 -2,-0.2 0.876 110.3 55.0 -66.3 -37.6 20.4 69.7 46.3 58 58 A V H X S+ 0 0 1 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.906 105.6 51.5 -58.7 -41.8 17.3 71.7 46.8 59 59 A E H X S+ 0 0 123 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.883 109.3 51.3 -66.2 -34.2 17.2 70.8 50.5 60 60 A E H >X S+ 0 0 114 -4,-1.7 4,-2.2 1,-0.2 3,-0.5 0.943 109.1 49.6 -66.2 -43.9 20.8 72.0 50.7 61 61 A A H 3X S+ 0 0 3 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.818 101.7 63.2 -63.6 -30.3 19.9 75.3 49.0 62 62 A R H 3X S+ 0 0 70 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.874 107.4 44.2 -59.5 -37.2 17.0 75.7 51.5 63 63 A A H X< S+ 0 0 63 -4,-1.3 3,-1.2 -3,-0.5 4,-0.4 0.921 110.2 53.6 -73.1 -42.7 19.7 75.8 54.2 64 64 A V H >< S+ 0 0 25 -4,-2.2 3,-1.6 1,-0.3 12,-0.4 0.870 99.4 64.8 -55.9 -37.2 21.8 78.2 52.1 65 65 A W H 3< S+ 0 0 10 -4,-2.3 12,-2.2 1,-0.3 -1,-0.3 0.823 107.8 40.1 -55.4 -34.6 18.8 80.5 51.8 66 66 A D T << S+ 0 0 105 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.387 95.9 100.7 -95.6 0.9 18.9 81.1 55.6 67 67 A R S < S- 0 0 134 -3,-1.6 9,-0.3 -4,-0.4 2,-0.1 -0.763 72.7-127.3 -98.3 121.8 22.7 81.3 55.9 68 68 A P + 0 0 79 0, 0.0 2,-0.3 0, 0.0 7,-0.3 -0.431 36.8 172.8 -66.7 136.0 24.4 84.8 56.1 69 69 A E + 0 0 35 5,-2.2 5,-0.4 -2,-0.1 3,-0.2 -0.993 33.7 27.1-143.1 136.8 27.1 85.1 53.5 70 70 A G S > S- 0 0 36 -2,-0.3 3,-1.5 1,-0.2 51,-0.3 -0.289 97.4 -59.3 104.2 173.3 29.1 88.1 52.4 71 71 A T T 3 S+ 0 0 115 49,-1.9 49,-0.2 1,-0.3 -1,-0.2 0.721 125.8 62.4 -70.1 -18.8 30.4 91.3 54.1 72 72 A E T 3 S- 0 0 110 47,-2.2 -1,-0.3 -3,-0.2 48,-0.1 0.529 100.3-130.4 -88.0 -3.7 26.9 92.5 54.9 73 73 A G < + 0 0 48 -3,-1.5 2,-0.3 46,-0.4 -3,-0.1 0.733 60.9 132.3 66.6 24.8 26.1 89.6 57.1 74 74 A K - 0 0 92 -5,-0.4 -5,-2.2 45,-0.3 2,-0.3 -0.776 44.9-150.1-112.7 153.7 22.8 88.9 55.5 75 75 A A >> - 0 0 3 -2,-0.3 3,-1.6 -7,-0.3 4,-0.6 -0.778 36.3-107.0-108.7 160.4 21.0 85.8 54.1 76 76 A C H >> S+ 0 0 24 -12,-0.4 4,-2.7 -9,-0.3 3,-1.7 0.911 120.6 59.9 -49.7 -43.9 18.5 85.7 51.3 77 77 A A H 3> S+ 0 0 19 -12,-2.2 4,-1.8 1,-0.3 -1,-0.3 0.735 89.5 69.7 -58.8 -27.1 15.8 85.2 53.9 78 78 A D H <4 S+ 0 0 105 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.763 117.7 20.7 -66.5 -24.2 16.6 88.5 55.6 79 79 A C H << S+ 0 0 96 -3,-1.7 -2,-0.2 -4,-0.6 -1,-0.2 0.700 133.4 37.6-109.6 -32.7 15.2 90.4 52.6 80 80 A H H < S- 0 0 80 -4,-2.7 -3,-0.2 1,-0.3 6,-0.2 0.511 92.2-144.3-102.3 -6.6 13.0 87.9 50.8 81 81 A G < - 0 0 36 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 -0.336 62.6 -0.9 75.2-162.4 11.4 86.0 53.8 82 82 A A S >> S- 0 0 53 1,-0.1 4,-2.9 -4,-0.1 3,-1.5 -0.399 72.6-128.8 -60.2 135.8 10.6 82.3 53.7 83 83 A V H 3> S+ 0 0 2 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.861 105.7 62.8 -61.2 -33.1 11.6 81.0 50.2 84 84 A D H 34 S+ 0 0 65 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.757 117.6 28.5 -63.5 -25.1 8.2 79.4 49.7 85 85 A D H X4 S+ 0 0 129 -3,-1.5 3,-0.9 2,-0.1 -2,-0.2 0.832 120.3 50.0 -97.1 -48.0 6.6 82.9 49.9 86 86 A G H 3< S+ 0 0 33 -4,-2.9 -3,-0.2 1,-0.3 -2,-0.2 0.720 120.1 35.1 -70.6 -22.6 9.3 85.2 48.6 87 87 A M T >X S+ 0 0 16 -4,-2.0 3,-1.9 -5,-0.3 4,-0.5 0.345 85.0 137.1-108.7 4.9 10.1 83.3 45.5 88 88 A Y T <4 S+ 0 0 143 -3,-0.9 54,-0.1 1,-0.3 -3,-0.1 -0.262 78.0 1.1 -60.2 128.5 6.5 82.1 44.8 89 89 A G T >> S+ 0 0 15 49,-0.2 3,-0.6 50,-0.1 4,-0.6 0.252 98.0 112.1 86.7 -15.9 5.6 82.3 41.2 90 90 A L H X> + 0 0 49 -3,-1.9 3,-1.6 1,-0.3 4,-1.0 0.913 69.3 55.8 -68.2 -43.6 9.0 83.7 40.0 91 91 A R H 3< S+ 0 0 22 -4,-0.5 3,-0.3 47,-0.4 -1,-0.3 0.824 101.8 60.7 -55.8 -31.4 10.2 80.7 38.0 92 92 A A H <4 S+ 0 0 4 -3,-0.6 56,-2.9 1,-0.2 -1,-0.3 0.721 109.7 38.5 -72.3 -18.2 7.0 80.8 35.9 93 93 A V H << S+ 0 0 51 -3,-1.6 57,-0.4 -4,-0.6 -1,-0.2 0.506 91.6 130.4-118.0 -1.9 7.6 84.3 34.6 94 94 A Y < + 0 0 28 -4,-1.0 2,-0.1 -3,-0.3 12,-0.1 -0.752 45.6 56.5 -97.3 152.1 11.4 84.5 34.0 95 95 A P S S+ 0 0 2 0, 0.0 2,-0.3 0, 0.0 11,-0.2 0.474 87.7 148.5 -66.3 145.5 13.2 85.3 31.8 96 96 A K E -C 105 0C 87 9,-1.6 9,-2.8 -2,-0.1 2,-0.2 -0.965 55.5 -85.8-145.4 160.7 11.5 88.7 31.9 97 97 A Y E -C 104 0C 83 -2,-0.3 2,-0.5 7,-0.3 7,-0.3 -0.500 43.8-151.5 -61.0 130.4 12.0 92.4 31.3 98 98 A V E >>> -C 103 0C 14 5,-2.6 4,-1.5 -2,-0.2 3,-1.5 -0.949 9.0-143.7-117.9 124.4 13.4 93.9 34.6 99 99 A E T 345S+ 0 0 171 -2,-0.5 3,-0.5 1,-0.3 -1,-0.1 0.885 98.4 51.6 -53.9 -47.1 12.7 97.5 35.3 100 100 A S T 345S+ 0 0 115 1,-0.2 -1,-0.3 2,-0.1 0, 0.0 0.702 116.9 39.9 -65.0 -18.8 16.0 98.3 36.9 101 101 A A T <45S- 0 0 30 -3,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.604 88.8-138.4-105.4 -17.6 18.0 96.8 34.0 102 102 A G T <5S+ 0 0 45 -4,-1.5 2,-0.3 -3,-0.5 -3,-0.1 0.772 78.2 83.2 57.8 27.2 16.1 98.0 30.9 103 103 A K E - 0 0 0 -2,-0.3 4,-2.0 -11,-0.2 5,-0.2 -0.629 30.8-108.3-100.4 166.1 17.3 85.5 33.9 107 107 A V H > S+ 0 0 5 1,-0.2 4,-2.7 -2,-0.2 5,-0.2 0.896 119.8 56.2 -59.0 -40.3 16.9 84.3 37.4 108 108 A E H > S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.911 105.1 50.8 -61.9 -40.6 20.6 83.6 37.6 109 109 A Q H > S+ 0 0 43 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.915 110.2 50.2 -65.2 -38.6 21.4 87.2 36.8 110 110 A M H X S+ 0 0 57 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.948 108.9 51.6 -62.7 -47.9 19.1 88.4 39.5 111 111 A I H X S+ 0 0 23 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.927 110.2 48.2 -55.1 -48.5 20.6 86.1 42.1 112 112 A N H X S+ 0 0 12 -4,-2.4 4,-2.3 1,-0.2 5,-0.3 0.851 105.8 58.7 -66.2 -28.9 24.1 87.3 41.3 113 113 A A H X S+ 0 0 42 -4,-1.9 4,-2.1 1,-0.2 5,-0.5 0.906 110.2 43.0 -63.7 -39.8 23.0 90.9 41.5 114 114 A C H X>S+ 0 0 31 -4,-1.9 4,-1.7 3,-0.2 5,-1.7 0.917 111.1 55.4 -70.6 -40.9 21.8 90.4 45.0 115 115 A R H <5S+ 0 0 8 -4,-2.5 6,-2.8 -5,-0.2 5,-0.4 0.934 120.5 28.9 -55.7 -45.0 24.9 88.4 46.0 116 116 A T H X5S+ 0 0 65 -4,-2.3 4,-0.7 4,-0.2 -2,-0.2 0.961 129.1 33.9 -86.2 -50.4 27.3 91.1 44.9 117 117 A S H <5S+ 0 0 87 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.2 0.716 132.3 25.0 -84.2 -18.9 25.4 94.4 45.4 118 118 A R T <5S+ 0 0 150 -4,-1.7 -3,-0.2 -5,-0.5 -1,-0.2 0.669 129.8 33.9-117.4 -24.2 23.3 93.5 48.4 119 119 A M T 4 - 0 0 135 -2,-0.4 3,-1.5 1,-0.1 6,-0.5 -0.345 38.6-119.9 -53.6 134.6 29.4 80.6 38.7 126 126 A Y T 3 S+ 0 0 33 1,-0.3 -1,-0.1 107,-0.1 90,-0.1 0.810 106.5 20.6 -54.5 -45.0 26.4 80.9 36.3 127 127 A I T 3 S+ 0 0 25 89,-0.1 87,-0.3 4,-0.1 -1,-0.3 0.208 100.8 118.5-109.9 14.8 26.1 77.2 35.6 128 128 A G S <> S- 0 0 12 -3,-1.5 4,-2.3 1,-0.1 5,-0.2 -0.178 79.1 -99.0 -72.0 173.8 27.9 75.9 38.7 129 129 A P H > S+ 0 0 101 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.818 117.3 53.6 -66.0 -33.3 26.4 73.8 41.4 130 130 A D H > S+ 0 0 92 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.946 114.6 40.5 -69.4 -46.8 25.7 76.5 43.9 131 131 A M H > S+ 0 0 0 -6,-0.5 4,-2.7 1,-0.2 5,-0.2 0.918 114.7 52.1 -63.5 -43.9 23.7 78.6 41.5 132 132 A T H X S+ 0 0 4 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.879 108.2 51.0 -69.9 -32.1 22.0 75.6 40.0 133 133 A A H X S+ 0 0 10 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.915 111.7 47.9 -67.1 -40.3 20.8 74.3 43.4 134 134 A M H X S+ 0 0 5 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.923 111.1 49.3 -68.7 -39.7 19.4 77.8 44.3 135 135 A V H X S+ 0 0 1 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.887 110.9 52.6 -64.3 -35.4 17.6 78.1 40.9 136 136 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.888 107.9 49.6 -66.5 -39.0 16.2 74.6 41.5 137 137 A L H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.945 111.4 49.7 -63.0 -45.6 14.9 75.6 45.0 138 138 A I H < S+ 0 0 3 -4,-2.6 4,-0.4 1,-0.2 -47,-0.4 0.938 113.6 45.9 -58.9 -43.7 13.3 78.7 43.4 139 139 A A H >< S+ 0 0 0 -4,-2.7 3,-1.8 1,-0.2 -1,-0.2 0.919 106.6 60.2 -63.3 -40.6 11.7 76.4 40.7 140 140 A S H >< S+ 0 0 8 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.813 98.0 56.4 -63.2 -31.2 10.6 73.9 43.2 141 141 A V T 3< S+ 0 0 20 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.540 109.5 46.8 -82.8 -3.0 8.4 76.3 45.2 142 142 A S T X S+ 0 0 1 -3,-1.8 3,-2.1 -4,-0.4 112,-0.4 0.176 78.4 144.3-114.0 14.0 6.4 77.2 42.0 143 143 A R T < + 0 0 29 -3,-1.1 112,-0.2 1,-0.3 -130,-0.1 -0.272 67.3 26.4 -57.8 137.7 5.8 73.6 40.8 144 144 A G T 3 S+ 0 0 25 110,-2.2 -1,-0.3 1,-0.4 -129,-0.1 0.227 92.0 119.2 93.4 -15.9 2.4 73.2 39.2 145 145 A M S < S- 0 0 44 -3,-2.1 109,-3.0 109,-0.2 -1,-0.4 -0.648 72.9-104.4 -81.5 139.5 2.1 76.9 38.2 146 146 A P B -D 253 0D 70 0, 0.0 107,-0.2 0, 0.0 2,-0.2 -0.410 29.9-115.2 -65.0 133.9 1.8 77.5 34.4 147 147 A V + 0 0 13 105,-3.1 104,-1.9 102,-0.3 -54,-0.2 -0.544 41.3 174.7 -65.3 134.9 4.9 78.8 32.7 148 148 A S + 0 0 64 -56,-2.9 2,-0.4 -2,-0.2 -1,-0.1 -0.491 3.7 167.1-149.0 62.1 3.8 82.3 31.6 149 149 A V - 0 0 5 97,-0.2 2,-0.2 94,-0.1 -55,-0.1 -0.690 35.8-122.6 -88.0 133.5 6.7 84.1 30.0 150 150 A A - 0 0 60 -2,-0.4 97,-0.1 -57,-0.4 9,-0.0 -0.504 25.0-176.0 -72.4 141.7 5.8 87.3 28.1 151 151 A I + 0 0 46 -2,-0.2 2,-0.1 96,-0.1 9,-0.1 0.420 61.4 48.0-117.9 -1.8 6.9 87.4 24.4 152 152 A D S > S+ 0 0 107 3,-0.1 3,-2.0 7,-0.1 4,-0.2 -0.364 84.6 43.8-124.6-161.2 5.9 90.9 23.3 153 153 A G G > S- 0 0 48 1,-0.3 3,-1.7 2,-0.2 4,-0.3 -0.279 127.8 -8.2 57.6-140.4 6.2 94.4 24.6 154 154 A P G 3 S+ 0 0 88 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.643 139.3 56.8 -66.6 -10.1 9.7 95.2 25.9 155 155 A A G <> S+ 0 0 6 -3,-2.0 4,-2.7 1,-0.1 3,-0.3 0.527 80.4 94.2 -92.2 -7.4 10.6 91.5 25.6 156 156 A Q H <> S+ 0 0 89 -3,-1.7 4,-2.8 1,-0.2 5,-0.2 0.888 82.3 47.2 -56.5 -47.8 9.8 91.3 21.9 157 157 A S H > S+ 0 0 81 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.864 114.7 48.4 -67.9 -31.5 13.2 91.9 20.4 158 158 A T H > S+ 0 0 32 -3,-0.3 4,-2.5 -4,-0.2 -1,-0.2 0.936 111.3 49.4 -69.8 -47.8 14.8 89.5 22.8 159 159 A W H X S+ 0 0 18 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.917 111.4 50.3 -57.6 -43.0 12.2 86.8 22.0 160 160 A E H X S+ 0 0 72 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.878 108.4 51.5 -64.5 -37.5 12.7 87.4 18.3 161 161 A K H X S+ 0 0 83 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.937 111.0 48.7 -64.7 -44.5 16.5 87.0 18.6 162 162 A G H X S+ 0 0 0 -4,-2.5 4,-2.5 78,-0.2 -2,-0.2 0.894 109.0 52.6 -61.9 -40.5 15.9 83.7 20.5 163 163 A R H X S+ 0 0 104 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.920 107.9 52.2 -59.5 -43.6 13.6 82.5 17.8 164 164 A E H < S+ 0 0 133 -4,-2.2 3,-0.5 1,-0.2 4,-0.3 0.932 110.9 46.6 -58.8 -46.0 16.2 83.2 15.2 165 165 A I H >< S+ 0 0 8 -4,-2.2 3,-1.5 1,-0.2 12,-0.4 0.900 105.8 60.1 -63.6 -40.1 18.8 81.2 17.1 166 166 A Y H 3< S+ 0 0 4 -4,-2.5 12,-1.6 1,-0.3 11,-0.6 0.824 113.0 37.3 -58.3 -33.2 16.4 78.3 17.6 167 167 A Y T 3< S+ 0 0 72 -4,-1.4 2,-0.5 -3,-0.5 -1,-0.3 0.281 92.2 106.7-105.5 9.8 16.0 77.8 13.9 168 168 A T < - 0 0 29 -3,-1.5 9,-0.3 -4,-0.3 2,-0.3 -0.794 69.7-128.7 -89.1 125.9 19.6 78.5 12.9 169 169 A R - 0 0 54 -2,-0.5 2,-0.3 7,-0.2 7,-0.3 -0.560 33.9-173.1 -69.6 131.2 21.7 75.5 11.8 170 170 A Y B > +E 175 0E 20 5,-2.3 5,-2.1 -2,-0.3 4,-0.3 -0.856 31.5 18.5-121.5 163.1 25.0 75.3 13.7 171 171 A G T > 5S- 0 0 0 191,-2.5 3,-0.7 -2,-0.3 191,-0.4 0.155 94.5 -65.8 78.3 174.1 28.2 73.3 13.7 172 172 A Q T 3 5S+ 0 0 5 55,-2.0 182,-0.4 1,-0.2 55,-0.2 0.763 135.8 58.8 -72.7 -21.7 29.7 71.0 11.1 173 173 A L T 3 5S- 0 0 31 53,-2.7 -1,-0.2 180,-0.1 -2,-0.2 0.653 103.4-142.9 -77.4 -15.4 26.8 68.7 11.6 174 174 A D T < 5 + 0 0 33 -3,-0.7 2,-0.4 52,-0.5 -3,-0.2 0.918 42.7 146.3 63.7 56.2 24.7 71.7 10.5 175 175 A L B < -E 170 0E 30 -5,-2.1 -5,-2.3 51,-0.1 2,-0.2 -0.953 35.5-151.3-127.3 143.1 21.6 71.3 12.8 176 176 A S > - 0 0 12 -2,-0.4 4,-1.0 -7,-0.3 3,-0.4 -0.640 37.1-105.7-100.6 166.2 19.2 73.7 14.5 177 177 A C H >> S+ 0 0 34 -11,-0.6 4,-2.6 -12,-0.4 3,-0.6 0.906 124.4 53.4 -51.1 -43.2 17.4 73.0 17.7 178 178 A A H 3>>S+ 0 0 3 -12,-1.6 5,-2.7 1,-0.2 4,-1.5 0.799 92.8 72.2 -66.3 -29.2 14.2 72.6 15.6 179 179 A S H 345S+ 0 0 2 -3,-0.4 5,-0.2 3,-0.2 -1,-0.2 0.911 117.3 18.1 -51.0 -45.9 16.0 70.0 13.4 180 180 A C H < S+ 0 0 59 -4,-0.8 3,-2.1 -6,-0.4 10,-0.2 0.212 76.0 143.0-123.6 20.5 11.7 64.8 14.8 185 185 A F T 3 S+ 0 0 52 -3,-0.3 10,-0.2 1,-0.3 3,-0.1 -0.244 73.3 31.4 -56.2 154.1 10.3 64.8 18.4 186 186 A D T 3 S+ 0 0 70 8,-3.3 -1,-0.3 1,-0.3 2,-0.1 0.269 102.3 101.7 71.3 -6.7 9.0 61.4 19.4 187 187 A H S < S- 0 0 68 -3,-2.1 7,-2.8 -7,-0.2 2,-0.4 -0.373 73.8-110.8 -86.7-179.6 11.7 59.8 17.2 188 188 A Y E -F 193 0F 87 5,-0.2 131,-2.4 -2,-0.1 132,-0.9 -0.931 14.0-161.1-118.2 138.1 15.0 58.3 18.6 189 189 A I E > S-F 192 0F 47 3,-2.3 3,-2.5 -2,-0.4 118,-0.2 -0.976 81.1 -51.7-108.1 109.2 18.6 59.4 18.4 190 190 A R T 3 S- 0 0 47 116,-2.0 129,-0.1 -2,-0.6 126,-0.1 -0.384 123.1 -22.0 51.1-127.8 20.3 56.1 19.3 191 191 A A T 3 S+ 0 0 65 -3,-0.1 2,-0.5 124,-0.1 -1,-0.3 0.533 116.0 102.8 -85.7 -2.7 18.6 55.1 22.6 192 192 A D E < -F 189 0F 90 -3,-2.5 -3,-2.3 1,-0.0 2,-0.7 -0.648 67.9-138.0 -88.5 131.4 17.4 58.6 23.5 193 193 A H E -F 188 0F 33 -2,-0.5 -5,-0.2 -5,-0.2 2,-0.2 -0.740 25.5-127.1 -86.1 112.6 13.8 59.4 22.9 194 194 A L - 0 0 17 -7,-2.8 -8,-3.3 -2,-0.7 2,-0.1 -0.424 29.1-172.8 -66.2 126.6 13.6 62.9 21.4 195 195 A S - 0 0 18 -2,-0.2 -11,-0.1 -10,-0.2 -8,-0.1 -0.324 45.5 -89.7 -97.1-172.4 11.3 65.3 23.2 196 196 A Q - 0 0 1 -164,-0.3 -15,-0.1 -2,-0.1 -2,-0.1 0.393 59.1-116.8 -82.5 5.8 10.3 68.8 22.2 197 197 A G + 0 0 20 1,-0.2 2,-0.2 -17,-0.1 -164,-0.1 0.921 52.2 173.1 64.9 42.4 13.3 70.1 24.1 198 198 A Q - 0 0 16 -166,-0.2 3,-0.2 1,-0.1 -1,-0.2 -0.500 30.0-155.5 -82.8 156.0 11.3 72.1 26.6 199 199 A I > + 0 0 16 46,-0.3 3,-1.9 -2,-0.2 56,-0.1 0.230 63.4 107.4-116.6 17.5 12.8 73.8 29.6 200 200 A N T 3 S+ 0 0 12 1,-0.3 55,-2.8 54,-0.1 56,-0.8 0.693 82.2 53.3 -70.0 -14.0 9.8 74.0 32.0 201 201 A G T 3 S+ 0 0 2 54,-0.2 57,-1.9 53,-0.2 -1,-0.3 0.271 93.0 165.3-100.0 10.2 11.4 71.3 34.1 202 202 A F < + 0 0 15 -3,-1.9 54,-0.3 55,-0.2 53,-0.1 -0.457 50.0 48.3 -85.9 155.5 14.8 73.0 34.6 203 203 A P S S- 0 0 1 0, 0.0 55,-0.6 0, 0.0 2,-0.3 0.514 89.8-155.5 -69.3 140.1 17.2 72.7 36.3 204 204 A S E -Gh 213 258G 2 9,-1.5 9,-2.0 53,-0.2 2,-0.8 -0.690 14.9-139.2 -91.9 140.0 17.0 69.0 35.3 205 205 A Y E -Gh 212 259G 23 53,-3.2 55,-2.5 -2,-0.3 2,-0.5 -0.882 26.0-155.6 -91.7 113.8 18.5 66.3 37.4 206 206 A R E >> -Gh 211 260G 19 5,-1.8 4,-1.9 -2,-0.8 5,-0.7 -0.811 16.0-150.3 -97.7 127.9 19.9 64.0 34.8 207 207 A L T 45S+ 0 0 74 53,-2.8 54,-0.2 -2,-0.5 -1,-0.1 0.795 95.1 64.7 -66.7 -23.6 20.3 60.4 35.7 208 208 A K T 45S+ 0 0 141 52,-0.2 -1,-0.2 1,-0.2 53,-0.1 0.890 118.8 18.5 -64.3 -45.8 23.3 60.3 33.3 209 209 A N T 45S- 0 0 52 -3,-0.5 -2,-0.2 2,-0.2 -1,-0.2 0.399 94.3-132.8-114.1 4.2 25.5 62.7 35.3 210 210 A A T <5S+ 0 0 55 -4,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.834 71.7 92.4 53.1 39.6 23.8 62.6 38.7 211 211 A R E - 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