==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-NOV-01 1KBJ . COMPND 2 MOLECULE: CYTOCHROME B2; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR L.M.CUNANE,J.D.BARTON,Z.W.CHEN,F.E.WELSH,S.K.CHAPMAN,G.A.REI . 785 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34658.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 554 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 77 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 63 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 256 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.8 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 0 0 6 0 4 6 2 2 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 5 2 6 7 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 . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 4 1 0 0 0 0 0 2 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 1 100 A G 0 0 75 0, 0.0 2,-0.7 0, 0.0 197,-0.0 0.000 360.0 360.0 360.0-115.9 44.3 27.8 -11.7 2 101 A E - 0 0 56 4,-0.1 36,-0.0 1,-0.1 0, 0.0 -0.739 360.0-147.4 -84.8 113.6 41.9 25.2 -13.0 3 102 A T > - 0 0 50 -2,-0.7 4,-2.6 1,-0.1 5,-0.1 -0.062 22.5-108.5 -75.6 177.3 42.9 24.3 -16.6 4 103 A K H > S+ 0 0 176 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.891 122.2 47.1 -73.3 -41.2 40.8 23.2 -19.6 5 104 A E H > S+ 0 0 125 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.840 112.7 51.6 -68.7 -30.9 42.0 19.6 -19.4 6 105 A D H > S+ 0 0 18 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.982 114.6 42.1 -64.4 -58.4 41.3 19.8 -15.7 7 106 A I H X S+ 0 0 80 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.908 114.7 50.5 -55.1 -47.7 37.8 21.1 -16.3 8 107 A A H X S+ 0 0 47 -4,-3.2 4,-1.6 1,-0.2 -1,-0.2 0.928 113.4 45.3 -59.0 -46.0 37.1 18.7 -19.2 9 108 A R H X S+ 0 0 114 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.941 114.4 46.1 -64.5 -50.3 38.2 15.7 -17.2 10 109 A K H X S+ 0 0 15 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.889 108.5 55.9 -63.0 -39.7 36.3 16.5 -14.0 11 110 A E H X S+ 0 0 105 -4,-2.4 4,-0.8 -5,-0.3 -1,-0.2 0.919 110.5 46.6 -59.0 -41.2 33.1 17.4 -15.9 12 111 A Q H X S+ 0 0 130 -4,-1.6 4,-0.6 -5,-0.2 3,-0.5 0.883 111.1 50.5 -69.7 -38.7 33.2 14.0 -17.5 13 112 A L H >< S+ 0 0 36 -4,-2.3 3,-1.5 1,-0.2 773,-0.2 0.915 104.2 59.6 -65.8 -39.4 33.9 12.2 -14.2 14 113 A K H >< S+ 0 0 86 -4,-2.9 3,-0.6 1,-0.3 -1,-0.2 0.761 103.2 51.8 -59.3 -26.0 31.0 14.1 -12.5 15 114 A S H 3< S+ 0 0 91 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.639 108.2 52.2 -85.5 -12.4 28.6 12.5 -15.1 16 115 A L T << S+ 0 0 35 -3,-1.5 770,-4.4 -4,-0.6 -1,-0.2 0.258 76.3 135.7-102.2 9.0 30.0 9.1 -14.2 17 116 A L < - 0 0 34 -3,-0.6 3,-0.1 768,-0.2 768,-0.1 -0.343 61.3-115.2 -54.3 133.7 29.4 9.6 -10.5 18 117 A P - 0 0 4 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.287 42.7 -74.9 -71.5 162.5 27.9 6.3 -9.2 19 118 A P > - 0 0 57 0, 0.0 3,-3.2 0, 0.0 4,-0.4 -0.354 44.8-118.3 -60.8 131.6 24.4 6.2 -7.9 20 119 A L G > S+ 0 0 40 1,-0.3 3,-1.3 2,-0.2 305,-0.0 0.756 111.5 55.9 -39.1 -38.4 24.1 7.7 -4.5 21 120 A D G 3 S+ 0 0 127 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.328 93.2 68.2 -87.7 18.1 22.9 4.5 -2.9 22 121 A N G < S+ 0 0 86 -3,-3.2 2,-0.6 -4,-0.1 -1,-0.3 0.415 75.0 106.9-103.0 -5.2 26.0 2.6 -4.1 23 122 A I < + 0 0 3 -3,-1.3 3,-0.1 -4,-0.4 313,-0.0 -0.672 47.2 179.2 -75.3 117.1 28.0 4.7 -1.7 24 123 A I + 0 0 127 -2,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.832 55.6 4.6 -92.9 -38.4 29.0 2.3 1.1 25 124 A N S >> S- 0 0 19 1,-0.1 3,-1.8 272,-0.0 4,-0.7 -0.944 77.7 -94.2-146.3 168.7 31.0 4.4 3.5 26 125 A L H >> S+ 0 0 3 270,-0.4 4,-1.2 -2,-0.3 3,-0.5 0.794 116.3 64.3 -53.6 -33.6 32.3 7.8 4.2 27 126 A Y H 3> S+ 0 0 63 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.782 92.3 64.7 -62.8 -27.5 35.6 7.2 2.4 28 127 A D H <> S+ 0 0 3 -3,-1.8 4,-2.3 1,-0.2 5,-0.2 0.904 100.9 48.7 -62.1 -42.8 33.7 6.7 -0.9 29 128 A F H X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 3,-0.8 0.907 113.7 50.6 -60.2 -41.8 34.9 10.8 -5.6 33 132 A A H 3X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 3,-0.4 0.903 104.1 57.5 -63.6 -41.6 35.5 14.2 -4.3 34 133 A S H 3< S+ 0 0 33 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.672 112.4 42.8 -63.5 -18.7 39.2 14.0 -4.7 35 134 A Q H << S+ 0 0 74 -3,-0.8 -1,-0.2 -4,-0.8 -2,-0.2 0.637 122.3 34.6-101.7 -18.5 38.7 13.3 -8.4 36 135 A T H < S+ 0 0 3 -4,-1.3 -2,-0.2 -3,-0.4 -3,-0.2 0.752 91.0 92.4-109.9 -28.5 36.0 15.8 -9.1 37 136 A L S < S- 0 0 11 -4,-2.8 67,-0.1 -5,-0.2 2,-0.0 -0.198 83.7 -96.6 -66.6 160.4 36.6 18.9 -7.0 38 137 A T > - 0 0 46 65,-0.3 4,-2.6 1,-0.1 5,-0.3 -0.357 36.2-108.8 -70.5 158.1 38.7 21.8 -8.4 39 138 A K H > S+ 0 0 85 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.939 120.8 50.7 -52.8 -49.0 42.3 21.8 -7.4 40 139 A Q H > S+ 0 0 115 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.886 112.0 44.6 -55.4 -48.5 41.6 24.8 -5.2 41 140 A A H > S+ 0 0 0 2,-0.2 4,-3.2 62,-0.2 5,-0.3 0.959 114.7 47.3 -65.5 -51.0 38.6 23.3 -3.4 42 141 A W H X S+ 0 0 71 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.922 114.5 48.1 -55.7 -46.9 40.3 19.9 -2.8 43 142 A A H X S+ 0 0 6 -4,-2.9 4,-1.2 -5,-0.3 150,-0.3 0.915 113.4 47.5 -60.5 -44.0 43.4 21.6 -1.6 44 143 A Y H < S+ 0 0 42 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.929 120.2 37.1 -63.1 -46.3 41.3 23.8 0.7 45 144 A Y H < S+ 0 0 4 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.845 119.2 42.9 -75.5 -41.9 39.3 21.0 2.1 46 145 A S H < S+ 0 0 8 -4,-3.1 -1,-0.2 -5,-0.3 -3,-0.2 0.632 91.9 101.3 -87.3 -10.2 41.7 18.2 2.4 47 146 A S < - 0 0 0 -4,-1.2 2,-0.2 -5,-0.3 143,-0.1 -0.299 44.3-173.0 -80.7 156.8 44.8 20.0 3.8 48 147 A G - 0 0 0 2,-0.2 143,-0.4 141,-0.1 211,-0.3 -0.759 41.4 -66.0-131.4 179.2 46.1 20.1 7.3 49 148 A A S > S- 0 0 0 209,-3.5 3,-3.1 -2,-0.2 4,-0.4 -0.484 85.9 -45.9 -76.9 139.0 48.9 22.1 8.9 50 149 A N T 3 S+ 0 0 19 139,-2.7 141,-0.2 1,-0.3 -2,-0.2 -0.136 133.4 4.0 46.9-115.5 52.5 21.6 7.9 51 150 A D T 3 S- 0 0 44 1,-0.1 -1,-0.3 140,-0.1 -2,-0.1 0.502 92.8-129.5 -80.8 0.8 53.3 17.9 7.8 52 151 A E <> + 0 0 28 -3,-3.1 4,-1.6 206,-0.1 5,-0.2 0.812 61.9 140.2 58.1 32.3 49.6 17.0 8.5 53 152 A V H > S+ 0 0 26 -4,-0.4 4,-3.1 2,-0.2 5,-0.2 0.972 70.3 45.5 -70.0 -53.4 50.7 14.7 11.3 54 153 A T H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.890 106.1 61.4 -57.5 -40.8 48.0 15.7 13.7 55 154 A H H > S+ 0 0 30 203,-0.4 4,-0.7 -6,-0.2 -1,-0.2 0.950 114.0 34.5 -51.8 -53.4 45.3 15.5 10.9 56 155 A R H >X S+ 0 0 137 -4,-1.6 4,-2.4 1,-0.2 3,-1.2 0.936 114.1 58.1 -69.2 -45.0 46.1 11.8 10.4 57 156 A E H 3X S+ 0 0 17 -4,-3.1 4,-2.5 1,-0.3 5,-0.3 0.867 94.9 66.5 -53.5 -36.0 46.8 11.1 14.1 58 157 A N H 3< S+ 0 0 0 -4,-2.8 4,-0.3 -5,-0.2 -1,-0.3 0.901 112.2 34.1 -50.5 -43.4 43.3 12.3 15.0 59 158 A H H X< S+ 0 0 34 -3,-1.2 3,-1.4 -4,-0.7 4,-0.5 0.928 115.7 53.6 -79.7 -49.0 41.9 9.3 13.1 60 159 A N H >< S+ 0 0 76 -4,-2.4 3,-1.8 1,-0.3 4,-0.2 0.814 95.9 67.2 -59.7 -32.2 44.6 6.7 13.9 61 160 A A G >< S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.3 -1,-0.3 0.813 89.2 66.7 -62.0 -25.1 44.4 7.2 17.7 62 161 A Y G X S+ 0 0 1 -3,-1.4 3,-1.2 -4,-0.3 -1,-0.3 0.850 93.6 61.7 -63.0 -25.8 40.9 5.7 17.5 63 162 A H G < S+ 0 0 104 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.537 85.4 71.4 -79.9 -2.3 42.6 2.5 16.5 64 163 A R G < S+ 0 0 35 -3,-1.8 2,-0.4 -4,-0.2 301,-0.4 0.321 91.6 79.4 -89.3 6.3 44.6 2.2 19.8 65 164 A I < - 0 0 1 -3,-1.2 2,-0.3 -4,-0.1 298,-0.2 -0.965 61.1-174.0-121.7 130.5 41.2 1.4 21.3 66 165 A F E -A 362 0A 130 296,-1.7 296,-3.9 -2,-0.4 2,-0.2 -0.764 21.5-111.1-117.5 165.2 39.5 -1.9 21.2 67 166 A F E -A 361 0A 60 -2,-0.3 294,-0.2 294,-0.3 293,-0.1 -0.620 10.1-164.2 -96.4 153.4 36.1 -3.3 22.3 68 167 A K - 0 0 119 292,-2.8 293,-0.1 -2,-0.2 -1,-0.0 -0.647 32.5-165.2-131.3 71.5 35.0 -5.6 25.0 69 168 A P - 0 0 68 0, 0.0 2,-0.3 0, 0.0 280,-0.2 -0.212 15.8-127.8 -64.4 145.8 31.5 -6.4 23.8 70 169 A K - 0 0 101 278,-3.1 2,-0.2 3,-0.0 3,-0.2 -0.730 26.6-163.7 -92.4 140.4 28.7 -8.0 25.8 71 170 A I + 0 0 129 -2,-0.3 3,-0.1 1,-0.2 276,-0.0 -0.738 63.1 43.0-118.6 172.9 27.0 -11.1 24.3 72 171 A L S S+ 0 0 175 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.875 82.8 135.1 57.9 39.5 23.7 -12.9 25.0 73 172 A V - 0 0 60 -3,-0.2 2,-0.9 273,-0.1 -1,-0.2 -0.953 67.1-109.4-119.0 136.1 22.0 -9.5 25.4 74 173 A D + 0 0 109 -2,-0.4 3,-0.2 1,-0.2 -3,-0.0 -0.520 48.1 161.7 -67.4 105.9 18.6 -8.6 23.9 75 174 A V + 0 0 37 -2,-0.9 -1,-0.2 1,-0.1 275,-0.1 -0.005 32.3 116.1-116.5 27.0 19.6 -6.2 21.2 76 175 A R S S+ 0 0 172 1,-0.1 2,-0.4 270,-0.0 -1,-0.1 0.924 80.5 43.6 -59.9 -43.9 16.5 -6.3 19.0 77 176 A K S S+ 0 0 162 -3,-0.2 2,-0.3 269,-0.0 -1,-0.1 -0.846 70.2 178.5-106.5 141.8 15.8 -2.6 19.8 78 177 A V - 0 0 24 -2,-0.4 2,-0.5 274,-0.0 274,-0.2 -0.994 12.1-160.9-140.0 143.2 18.5 0.1 19.9 79 178 A D B +b 352 0B 79 272,-2.4 274,-0.8 -2,-0.3 12,-0.1 -0.935 14.4 171.9-131.1 114.4 18.4 3.8 20.5 80 179 A I + 0 0 5 -2,-0.5 2,-0.1 10,-0.2 -1,-0.1 0.203 44.5 115.6-103.5 17.9 21.1 6.2 19.4 81 180 A S + 0 0 19 10,-0.1 272,-0.5 11,-0.1 2,-0.2 -0.419 34.8 154.3 -81.3 162.5 19.3 9.4 20.3 82 181 A T E -C 89 0C 13 7,-2.4 7,-2.9 9,-0.2 2,-0.4 -0.821 37.3 -94.2-161.5-159.6 20.7 11.7 23.0 83 182 A D E -C 88 0C 74 5,-0.3 2,-0.4 -2,-0.2 5,-0.2 -0.996 27.5-176.8-140.0 141.6 20.8 15.3 24.1 84 183 A M E > -C 87 0C 0 3,-2.7 3,-2.7 -2,-0.4 -2,-0.0 -0.994 69.7 -13.3-141.1 133.7 23.2 18.1 23.5 85 184 A L T 3 S- 0 0 11 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.842 129.6 -49.7 45.8 41.8 23.3 21.6 24.8 86 185 A G T 3 S+ 0 0 76 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.306 116.8 105.1 85.7 -10.0 19.7 21.3 26.0 87 186 A S E < -C 84 0C 21 -3,-2.7 -3,-2.7 89,-0.0 2,-0.4 -0.834 69.3-123.2-109.3 145.8 18.2 19.9 22.8 88 187 A H E -C 83 0C 128 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.3 -0.684 33.7-169.7 -83.4 133.8 17.1 16.3 22.1 89 188 A V E -C 82 0C 5 -7,-2.9 -7,-2.4 -2,-0.4 35,-0.1 -0.951 29.3-134.2-129.4 147.0 18.8 14.9 19.0 90 189 A D S S+ 0 0 61 33,-0.9 -10,-0.2 -2,-0.3 34,-0.1 0.723 89.0 30.3 -69.8 -22.5 18.3 11.8 16.9 91 190 A V S S- 0 0 1 32,-0.4 -9,-0.2 2,-0.2 -10,-0.1 -0.891 75.0-121.0-135.9 163.6 21.9 10.9 16.7 92 191 A P S S+ 0 0 0 0, 0.0 220,-2.1 0, 0.0 2,-0.2 0.204 89.8 67.2 -88.5 14.7 25.1 11.2 18.8 93 192 A F E -d 312 0D 0 218,-0.2 2,-0.3 220,-0.0 220,-0.2 -0.797 57.3-171.0-130.5 174.3 26.9 13.1 16.0 94 193 A Y E -d 313 0D 0 218,-1.8 220,-1.9 -2,-0.2 2,-0.7 -0.985 33.3 -96.0-158.3 166.4 26.9 16.5 14.2 95 194 A V E -de 314 126D 4 30,-2.3 32,-2.7 -2,-0.3 220,-0.2 -0.796 41.6-144.9 -91.0 116.0 28.2 18.5 11.3 96 195 A S - 0 0 6 218,-2.1 33,-0.1 -2,-0.7 2,-0.1 -0.440 34.1 -80.1 -78.7 156.1 31.0 20.7 12.5 97 196 A A - 0 0 18 31,-0.1 2,-0.4 -2,-0.1 31,-0.2 -0.293 46.9-178.3 -57.8 129.1 31.6 24.1 11.0 98 197 A T - 0 0 30 29,-0.3 3,-0.4 217,-0.1 31,-0.2 -0.918 18.7-139.0-136.4 108.4 33.3 24.3 7.6 99 198 A A S S+ 0 0 16 -2,-0.4 33,-0.3 1,-0.2 31,-0.0 -0.116 78.3 20.0 -59.6 157.4 34.1 27.6 6.0 100 199 A L > + 0 0 67 31,-1.5 3,-1.9 1,-0.1 4,-0.4 0.836 61.8 166.8 48.2 50.7 33.6 28.2 2.2 101 200 A C G >> + 0 0 3 -3,-0.4 4,-1.8 1,-0.3 3,-0.7 0.695 69.2 72.6 -64.6 -18.7 31.3 25.3 1.4 102 201 A K G 34 S+ 0 0 82 1,-0.2 -1,-0.3 2,-0.2 7,-0.1 0.656 79.4 75.2 -71.2 -13.6 30.6 27.0 -2.0 103 202 A L G <4 S+ 0 0 41 -3,-1.9 -65,-0.3 1,-0.2 -1,-0.2 0.913 112.5 23.8 -63.1 -39.8 34.1 25.9 -3.0 104 203 A G T <4 S+ 0 0 9 -3,-0.7 -2,-0.2 -4,-0.4 -1,-0.2 0.702 137.7 33.7 -96.1 -24.2 32.8 22.4 -3.4 105 204 A N S X S- 0 0 18 -4,-1.8 4,-1.5 1,-0.1 -1,-0.3 -0.780 70.0-179.5-132.3 84.7 29.1 23.2 -4.0 106 205 A P T 4 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.813 77.4 40.7 -56.4 -37.9 29.0 26.6 -5.9 107 206 A L T 4 S+ 0 0 138 2,-0.1 -5,-0.1 1,-0.1 -2,-0.0 0.934 130.2 17.8 -81.8 -47.7 25.2 26.9 -6.1 108 207 A E T >4 S+ 0 0 57 1,-0.1 3,-1.7 -7,-0.1 4,-0.3 0.812 75.3 166.4 -97.4 -33.0 24.0 25.8 -2.7 109 208 A G T >X S- 0 0 0 -4,-1.5 3,-0.8 -8,-0.3 4,-0.6 -0.270 76.7 -6.4 55.8-130.8 27.0 25.9 -0.3 110 209 A E H 3> S+ 0 0 5 1,-0.2 4,-2.1 2,-0.2 3,-0.4 0.745 125.7 72.4 -69.2 -24.9 25.9 25.6 3.3 111 210 A K H <> S+ 0 0 43 -3,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.851 96.9 53.3 -59.2 -31.8 22.2 25.8 2.5 112 211 A D H <> S+ 0 0 12 -3,-0.8 4,-2.0 -4,-0.3 -1,-0.2 0.808 104.9 50.1 -76.4 -28.9 22.6 22.3 1.1 113 212 A V H X S+ 0 0 11 -4,-0.6 4,-2.0 -3,-0.4 -2,-0.2 0.880 111.0 53.5 -76.3 -29.5 24.2 20.8 4.3 114 213 A A H X S+ 0 0 0 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.928 110.7 43.7 -66.1 -46.6 21.3 22.4 6.1 115 214 A R H >X S+ 0 0 62 -4,-2.0 4,-2.9 1,-0.2 3,-0.7 0.917 112.7 55.0 -64.5 -39.4 18.7 20.7 3.9 116 215 A G H 3< S+ 0 0 1 -4,-2.0 4,-0.4 1,-0.2 -2,-0.2 0.842 106.0 51.3 -61.3 -36.1 20.7 17.5 4.2 117 216 A C H 3< S+ 0 0 0 -4,-2.0 7,-2.1 1,-0.1 -1,-0.2 0.658 123.9 26.6 -76.1 -18.8 20.5 17.6 8.0 118 217 A G H << S+ 0 0 5 -4,-0.9 -2,-0.2 -3,-0.7 -3,-0.1 0.610 99.6 78.5-119.6 -15.3 16.8 18.0 8.1 119 218 A Q S < S+ 0 0 56 -4,-2.9 -3,-0.1 -5,-0.2 2,-0.1 0.690 90.2 59.7 -70.5 -20.4 15.2 16.6 4.9 120 219 A G S S- 0 0 9 -4,-0.4 211,-0.0 2,-0.4 0, 0.0 -0.375 101.5 -93.5-100.0-178.4 15.4 12.9 6.1 121 220 A V S S+ 0 0 116 -2,-0.1 2,-0.7 1,-0.1 -1,-0.0 0.662 111.7 69.8 -67.6 -19.7 14.0 11.1 9.1 122 221 A T S S- 0 0 14 209,-0.1 2,-0.6 2,-0.0 -2,-0.4 -0.903 72.9-158.6-106.8 112.0 17.2 11.7 11.0 123 222 A K - 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0 0 10 -2,-2.0 2,-0.2 90,-0.1 393,-0.2 -0.891 33.5-174.4 -99.0 104.0 51.6 5.8 19.9 370 487 A T - 0 0 74 -2,-0.8 2,-0.4 391,-0.1 393,-0.2 -0.593 36.2-161.4-110.9 164.9 54.9 4.7 18.3 371 488 A V E -o 763 0G 27 391,-2.0 393,-1.3 -2,-0.2 88,-0.1 -0.924 30.9-137.1-140.0 108.7 57.7 5.8 16.1 372 489 A G E -o 764 0G 37 -2,-0.4 393,-0.2 391,-0.2 3,-0.1 -0.243 23.1 -99.1 -70.1 156.5 59.7 2.9 14.7 373 490 A V - 0 0 35 391,-3.4 393,-0.2 1,-0.1 -1,-0.1 -0.451 61.9 -86.7 -63.9 142.4 63.5 2.8 14.4 374 491 A P - 0 0 15 0, 0.0 -1,-0.1 0, 0.0 74,-0.0 -0.206 53.1 -88.3 -59.8 150.0 64.3 3.6 10.8 375 492 A N - 0 0 112 1,-0.1 2,-1.8 -3,-0.1 3,-0.2 -0.275 25.0-129.2 -58.1 133.6 64.3 0.8 8.3 376 493 A D > - 0 0 60 1,-0.2 4,-2.3 -3,-0.1 5,-0.3 -0.669 33.5-174.5 -80.7 87.1 67.5 -1.2 7.7 377 494 A V H > S+ 0 0 81 -2,-1.8 4,-2.7 69,-0.3 5,-0.2 0.907 74.4 47.8 -57.8 -45.4 67.2 -0.6 3.9 378 495 A L H > S+ 0 0 98 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.968 113.0 48.4 -60.7 -51.6 70.1 -2.8 2.8 379 496 A Y H > S+ 0 0 146 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.905 119.0 39.4 -52.6 -46.3 69.1 -5.8 5.0 380 497 A N H < S+ 0 0 84 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.804 113.1 54.9 -75.8 -31.5 65.4 -5.6 3.8 381 498 A E H < S+ 0 0 156 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.970 113.3 40.8 -67.5 -49.1 66.3 -4.8 0.2 382 499 A V H < S+ 0 0 114 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.834 96.5 97.0 -68.9 -32.7 68.5 -7.9 -0.2 383 500 A Y < - 0 0 123 -4,-1.5 2,-0.5 -5,-0.3 -3,-0.0 -0.260 62.1-153.8 -58.3 143.2 66.1 -10.1 1.7 384 501 A E - 0 0 175 3,-0.0 3,-0.1 0, 0.0 -1,-0.1 -0.965 12.9-145.9-124.1 112.7 63.8 -12.2 -0.4 385 502 A G - 0 0 33 -2,-0.5 0, 0.0 1,-0.1 0, 0.0 -0.114 30.3 -76.5 -75.1 170.5 60.5 -13.3 1.3 386 503 A P - 0 0 73 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.191 46.7-145.1 -60.2 157.1 58.5 -16.5 1.0 387 504 A T - 0 0 121 -3,-0.1 2,-0.1 388,-0.0 385,-0.1 -0.912 12.7-112.7-126.6 155.7 56.3 -16.9 -2.2 388 505 A L - 0 0 77 -2,-0.3 384,-0.0 1,-0.1 0, 0.0 -0.468 42.5 -92.6 -82.3 158.3 53.0 -18.5 -2.8 389 506 A T - 0 0 138 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.232 46.7-134.4 -61.9 160.2 52.6 -21.6 -4.8 390 507 A E - 0 0 168 -3,-0.1 3,-0.1 1,-0.0 -1,-0.1 -0.828 13.3-102.5-122.0 159.9 51.9 -21.0 -8.5 391 508 A F - 0 0 201 -2,-0.3 3,-0.1 1,-0.1 -1,-0.0 -0.376 53.8 -86.1 -71.6 158.2 49.5 -22.4 -11.1 392 509 A E - 0 0 181 1,-0.1 2,-0.4 2,-0.1 -1,-0.1 -0.214 55.1 -86.8 -61.8 154.5 50.9 -24.8 -13.6 393 510 A D 0 0 152 1,-0.2 -1,-0.1 -3,-0.1 -3,-0.0 -0.533 360.0 360.0 -68.0 122.3 52.5 -23.4 -16.8 394 511 A A 0 0 175 -2,-0.4 -1,-0.2 -3,-0.1 -2,-0.1 0.911 360.0 360.0 -45.8 360.0 49.7 -22.9 -19.3 395 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 396 100 B G 0 0 108 0, 0.0 2,-0.7 0, 0.0 38,-0.0 0.000 360.0 360.0 360.0-118.2 83.1 11.1 -11.7 397 101 B E - 0 0 56 4,-0.1 36,-0.0 1,-0.0 0, 0.0 -0.755 360.0-148.2 -86.5 113.4 80.5 13.6 -13.0 398 102 B T > - 0 0 48 -2,-0.7 4,-2.6 1,-0.1 5,-0.1 -0.083 23.5-108.2 -75.8 176.4 79.6 12.6 -16.6 399 103 B K H > S+ 0 0 175 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.886 121.8 48.8 -71.3 -40.5 78.5 14.7 -19.5 400 104 B E H > S+ 0 0 127 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.860 112.4 50.5 -64.8 -39.3 74.9 13.5 -19.3 401 105 B D H > S+ 0 0 21 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.971 114.5 42.3 -60.9 -56.6 75.0 14.3 -15.6 402 106 B I H X S+ 0 0 81 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.920 114.1 51.4 -57.7 -46.6 76.3 17.7 -16.2 403 107 B A H X S+ 0 0 48 -4,-3.3 4,-1.5 1,-0.2 -1,-0.2 0.919 113.7 44.4 -59.1 -44.9 74.0 18.4 -19.1 404 108 B R H X S+ 0 0 113 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.947 114.5 46.6 -65.9 -50.7 70.9 17.3 -17.1 405 109 B K H X S+ 0 0 15 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.886 108.9 54.7 -62.4 -39.5 71.8 19.2 -14.0 406 110 B E H X S+ 0 0 107 -4,-2.6 4,-0.8 -5,-0.2 -1,-0.2 0.888 111.1 47.0 -61.4 -37.5 72.7 22.4 -15.8 407 111 B Q H >X S+ 0 0 131 -4,-1.5 3,-0.5 -5,-0.3 4,-0.5 0.894 111.0 50.4 -72.1 -38.0 69.3 22.3 -17.4 408 112 B L H >< S+ 0 0 62 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.890 104.0 60.0 -66.0 -38.0 67.5 21.6 -14.1 409 113 B K H >< S+ 0 0 87 -4,-2.7 3,-0.6 1,-0.3 -1,-0.2 0.768 102.3 52.1 -61.8 -25.5 69.4 24.6 -12.5 410 114 B S H << S+ 0 0 91 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.629 108.1 52.7 -85.4 -11.1 67.8 26.9 -15.0 411 115 B L T << S+ 0 0 122 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.265 75.4 135.9-102.6 8.2 64.4 25.5 -14.1 412 116 B L < - 0 0 42 -3,-0.6 3,-0.1 -4,-0.2 -3,-0.1 -0.321 61.6-114.8 -53.1 136.0 64.9 26.1 -10.4 413 117 B P - 0 0 42 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.329 43.2 -74.9 -73.5 162.3 61.6 27.6 -9.2 414 118 B P > - 0 0 75 0, 0.0 3,-2.9 0, 0.0 4,-0.4 -0.324 45.0-117.8 -58.6 134.2 61.5 31.2 -7.9 415 119 B L G > S+ 0 0 40 1,-0.3 3,-1.1 2,-0.2 304,-0.0 0.749 111.7 56.3 -44.5 -34.1 63.0 31.4 -4.4 416 120 B D G 3 S+ 0 0 114 1,-0.2 -1,-0.3 3,-0.0 0, 0.0 0.306 93.0 68.3 -89.9 19.3 59.8 32.6 -2.8 417 121 B N G < S+ 0 0 46 -3,-2.9 2,-0.6 -4,-0.1 -1,-0.2 0.447 74.8 107.4-102.6 -7.5 57.9 29.6 -4.1 418 122 B I < + 0 0 7 -3,-1.1 3,-0.1 -4,-0.4 312,-0.0 -0.630 46.5 178.9 -74.5 114.6 60.0 27.5 -1.6 419 123 B I + 0 0 12 -2,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.849 55.5 3.9 -90.1 -39.5 57.6 26.6 1.2 420 124 B N S >> S- 0 0 14 1,-0.0 3,-1.6 271,-0.0 4,-0.7 -0.931 77.4 -94.0-145.7 168.0 59.7 24.5 3.6 421 125 B L H >> S+ 0 0 2 269,-0.4 4,-1.2 -2,-0.3 3,-0.6 0.785 116.5 64.5 -52.0 -35.0 63.2 23.2 4.2 422 126 B Y H 3> S+ 0 0 70 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.802 92.5 64.2 -62.1 -28.9 62.5 19.9 2.4 423 127 B D H <> S+ 0 0 54 -3,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.886 101.1 49.0 -62.6 -39.8 62.0 21.8 -0.9 424 128 B F H X S+ 0 0 24 -4,-2.2 4,-1.4 1,-0.2 3,-1.0 0.920 113.1 50.5 -60.6 -44.4 66.1 20.6 -5.5 428 132 B A H >X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.3 3,-0.5 0.908 104.6 57.6 -60.1 -43.5 69.6 20.1 -4.2 429 133 B S H 3< S+ 0 0 31 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.676 112.1 42.1 -63.1 -20.0 69.3 16.3 -4.7 430 134 B Q H << S+ 0 0 82 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.650 122.9 35.6-100.4 -18.0 68.5 16.8 -8.3 431 135 B T H << S+ 0 0 5 -4,-1.4 -2,-0.2 -3,-0.5 -3,-0.2 0.741 91.2 90.4-109.8 -27.3 71.1 19.5 -9.0 432 136 B L S < S- 0 0 12 -4,-2.9 67,-0.1 -5,-0.2 2,-0.1 -0.200 84.5 -95.8 -67.2 162.5 74.3 18.9 -7.0 433 137 B T > - 0 0 46 65,-0.3 4,-2.9 1,-0.1 5,-0.3 -0.418 36.0-109.5 -73.0 155.8 77.1 16.8 -8.3 434 138 B K H > S+ 0 0 93 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.942 121.0 50.9 -49.8 -49.6 77.1 13.1 -7.3 435 139 B Q H > S+ 0 0 117 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.914 112.4 43.7 -55.3 -50.1 80.1 13.9 -5.2 436 140 B A H > S+ 0 0 0 62,-0.2 4,-2.9 2,-0.2 5,-0.3 0.953 115.6 47.6 -63.3 -50.2 78.6 16.9 -3.4 437 141 B W H X S+ 0 0 73 -4,-2.9 4,-3.2 1,-0.2 5,-0.3 0.934 114.4 46.8 -56.2 -48.2 75.2 15.2 -2.8 438 142 B A H X S+ 0 0 6 -4,-3.0 4,-1.2 -5,-0.3 150,-0.3 0.895 113.4 49.4 -62.7 -38.8 76.8 12.1 -1.5 439 143 B Y H < S+ 0 0 43 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.922 119.6 36.0 -66.5 -43.5 79.1 14.1 0.7 440 144 B Y H < S+ 0 0 3 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.833 119.6 44.2 -78.7 -39.4 76.3 16.2 2.2 441 145 B S H < S+ 0 0 7 -4,-3.2 -3,-0.2 -5,-0.3 -1,-0.2 0.611 91.8 100.8 -87.7 -11.4 73.5 13.7 2.4 442 146 B S < - 0 0 0 -4,-1.2 2,-0.2 -5,-0.3 143,-0.1 -0.321 44.2-173.8 -81.2 159.3 75.3 10.7 3.8 443 147 B G - 0 0 0 2,-0.2 143,-0.5 141,-0.1 210,-0.3 -0.769 41.4 -64.6-133.9 177.6 75.4 9.3 7.3 444 148 B A S > S- 0 0 0 208,-3.2 3,-3.1 -2,-0.2 4,-0.4 -0.461 86.2 -46.8 -74.2 138.5 77.4 6.5 8.9 445 149 B N T 3 S+ 0 0 63 139,-2.4 141,-0.2 1,-0.3 -2,-0.2 -0.117 132.9 3.8 44.7-115.9 76.8 2.9 7.9 446 150 B D T 3 S- 0 0 58 1,-0.1 -69,-0.3 140,-0.1 -1,-0.3 0.515 93.1-128.2 -79.4 0.0 73.1 2.2 7.7 447 151 B E <> + 0 0 29 -3,-3.1 4,-1.4 205,-0.2 5,-0.2 0.834 61.6 141.7 60.3 33.8 72.2 5.8 8.5 448 152 B V H > S+ 0 0 7 -4,-0.4 4,-3.0 2,-0.2 5,-0.1 0.967 70.9 43.3 -70.7 -50.3 70.0 4.7 11.3 449 153 B T H > S+ 0 0 1 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.894 105.9 62.6 -62.5 -41.8 70.9 7.5 13.7 450 154 B H H > S+ 0 0 30 202,-0.4 4,-0.7 1,-0.2 -1,-0.2 0.946 114.4 34.2 -48.4 -53.4 70.8 10.1 10.9 451 155 B R H >X S+ 0 0 63 -4,-1.4 4,-2.5 1,-0.2 3,-1.1 0.927 114.6 57.3 -68.8 -45.2 67.0 9.4 10.4 452 156 B E H 3X S+ 0 0 9 -4,-3.0 4,-2.6 1,-0.3 5,-0.3 0.880 95.5 66.0 -55.4 -36.9 66.4 8.7 14.1 453 157 B N H 3< S+ 0 0 0 -4,-3.2 4,-0.3 1,-0.2 209,-0.3 0.889 112.4 34.4 -49.7 -43.5 67.7 12.2 15.0 454 158 B H H X< S+ 0 0 33 -3,-1.1 3,-1.5 -4,-0.7 4,-0.4 0.936 115.3 53.9 -77.9 -52.0 64.6 13.5 13.1 455 159 B N H >< S+ 0 0 40 -4,-2.5 3,-2.0 1,-0.3 4,-0.2 0.794 95.1 68.3 -56.4 -32.7 62.0 10.9 13.9 456 160 B A G >< S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.3 -1,-0.3 0.808 88.1 67.2 -61.2 -26.0 62.5 11.1 17.7 457 161 B Y G X S+ 0 0 0 -3,-1.5 3,-1.2 -4,-0.3 -1,-0.3 0.832 93.3 61.4 -62.7 -23.5 61.0 14.6 17.5 458 162 B H G < S+ 0 0 38 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.491 86.3 70.8 -84.3 1.3 57.8 12.8 16.6 459 163 B R G < S+ 0 0 2 -3,-1.8 2,-0.4 -4,-0.2 300,-0.4 0.341 92.0 76.6 -92.1 4.0 57.6 10.9 19.8 460 164 B I < - 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