==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/TRANSFERASE 16-FEB-12 4DQM . COMPND 2 MOLECULE: RETINOIC ACID RECEPTOR ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.WANG,Z.WANG,S.LIN,W.ZHENG,R.WANG,S.JIN,J.CHEN,L.JIN,Y.LI . 487 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20874.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 367 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 13 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 256 52.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 1 0 2 4 0 1 1 3 2 0 0 0 2 1 0 0 0 2 2 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 1 182 A P > 0 0 137 0, 0.0 4,-1.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -97.4 -40.7 -12.8 9.7 2 183 A E H > + 0 0 149 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.723 360.0 65.3 -59.1 -22.8 -37.9 -10.5 11.2 3 184 A V H > S+ 0 0 30 2,-0.2 4,-2.3 1,-0.2 3,-0.5 0.970 96.6 52.7 -62.3 -53.4 -36.6 -13.9 12.3 4 185 A G H > S+ 0 0 40 1,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.860 107.8 51.4 -51.2 -41.4 -36.0 -15.0 8.7 5 186 A E H X S+ 0 0 105 -4,-1.2 4,-1.6 2,-0.2 -1,-0.3 0.876 108.2 50.9 -70.1 -36.6 -34.0 -11.9 8.0 6 187 A L H X S+ 0 0 21 -4,-1.5 4,-2.5 -3,-0.5 5,-0.2 0.932 110.1 49.9 -64.0 -47.9 -31.7 -12.4 11.0 7 188 A I H X S+ 0 0 12 -4,-2.3 4,-3.3 1,-0.2 -2,-0.2 0.913 113.9 44.9 -52.5 -48.6 -31.0 -16.0 10.0 8 189 A E H X S+ 0 0 88 -4,-2.2 4,-1.2 -5,-0.2 -1,-0.2 0.831 112.5 51.5 -71.1 -26.1 -30.1 -14.9 6.5 9 190 A K H X S+ 0 0 95 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.865 114.0 43.8 -80.8 -33.1 -28.1 -12.0 7.7 10 191 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.909 110.4 55.3 -75.7 -43.5 -26.1 -14.2 10.1 11 192 A R H X S+ 0 0 45 -4,-3.3 4,-2.9 -5,-0.2 -2,-0.2 0.817 108.8 49.4 -51.5 -32.4 -25.7 -16.9 7.4 12 193 A K H X S+ 0 0 75 -4,-1.2 4,-3.0 2,-0.2 5,-0.3 0.921 105.6 54.3 -80.9 -39.5 -24.2 -14.4 5.1 13 194 A A H X S+ 0 0 0 -4,-1.5 4,-1.2 2,-0.2 -2,-0.2 0.888 115.0 42.7 -62.3 -35.7 -21.7 -13.1 7.6 14 195 A H H X S+ 0 0 1 -4,-2.0 4,-0.8 2,-0.2 3,-0.3 0.966 114.0 48.2 -70.7 -55.4 -20.5 -16.7 8.0 15 196 A Q H >< S+ 0 0 80 -4,-2.9 3,-0.6 1,-0.2 -2,-0.2 0.901 116.3 46.4 -45.5 -46.8 -20.5 -17.6 4.3 16 197 A E H 3< S+ 0 0 107 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.775 117.9 38.8 -77.3 -29.3 -18.6 -14.4 3.5 17 198 A T H 3< S+ 0 0 2 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.375 124.4 38.1 -98.3 6.1 -16.0 -14.6 6.2 18 199 A F S << S- 0 0 8 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.1 -0.587 76.0-144.2-159.9 91.7 -15.5 -18.4 6.0 19 200 A P - 0 0 39 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.094 29.7-104.2 -59.6 152.2 -15.5 -20.4 2.7 20 201 A A > - 0 0 31 1,-0.1 3,-1.6 -5,-0.1 4,-0.3 -0.435 30.7-107.9 -75.2 149.4 -17.0 -23.9 2.7 21 202 A L G > S+ 0 0 50 73,-0.3 3,-1.2 1,-0.2 -1,-0.1 0.854 118.5 49.2 -34.6 -50.7 -14.8 -26.9 2.6 22 203 A C G 3 S+ 0 0 118 1,-0.3 -1,-0.2 3,-0.1 4,-0.1 0.585 96.7 67.6 -80.8 -12.4 -15.6 -27.7 -1.1 23 204 A Q G < S+ 0 0 132 -3,-1.6 2,-0.4 2,-0.1 -1,-0.3 0.483 92.3 95.7 -75.4 0.4 -15.0 -24.1 -2.3 24 205 A L S < S- 0 0 31 -3,-1.2 2,-1.0 -4,-0.3 84,-0.1 -0.774 75.2-132.6-114.5 135.5 -11.4 -24.8 -1.5 25 206 A G - 0 0 55 -2,-0.4 2,-0.1 82,-0.1 -2,-0.1 -0.664 36.2-151.1 -73.7 104.1 -8.3 -25.9 -3.4 26 207 A K + 0 0 93 -2,-1.0 2,-0.2 -4,-0.1 83,-0.2 -0.360 22.7 166.4 -74.3 156.7 -6.9 -28.6 -1.0 27 208 A Y B -a 109 0A 106 81,-1.2 83,-1.5 -2,-0.1 2,-0.1 -0.695 12.4-163.1-174.4 126.9 -3.2 -29.4 -0.8 28 209 A T - 0 0 98 -2,-0.2 2,-0.3 81,-0.2 83,-0.1 -0.125 3.8-153.5 -99.0-166.5 -1.1 -31.4 1.6 29 210 A T - 0 0 52 81,-0.3 -2,-0.0 2,-0.1 -1,-0.0 -0.922 22.3-126.3-160.6 166.0 2.6 -31.8 2.5 30 211 A N > + 0 0 139 -2,-0.3 3,-1.3 2,-0.1 4,-0.2 0.443 56.7 135.6-111.6 2.3 4.7 -34.5 4.0 31 212 A N T 3 S- 0 0 49 1,-0.3 -2,-0.1 2,-0.1 84,-0.1 -0.226 90.9 -30.8 -42.8 125.7 6.3 -32.7 7.0 32 213 A S T 3 S+ 0 0 16 1,-0.2 -1,-0.3 2,-0.1 86,-0.2 0.661 89.5 141.9 23.6 42.2 6.2 -34.8 10.1 33 214 A S S < S+ 0 0 20 -3,-1.3 81,-0.3 81,-0.1 -1,-0.2 0.493 73.4 47.0 -79.6 -4.7 2.9 -36.4 8.9 34 215 A E S S+ 0 0 161 -4,-0.2 2,-0.4 1,-0.2 -1,-0.1 0.873 108.3 38.5 -99.1 -64.3 4.4 -39.5 10.5 35 216 A Q S S- 0 0 111 79,-0.0 2,-1.0 1,-0.0 -1,-0.2 -0.781 74.4-120.9-108.8 137.6 5.7 -39.0 13.9 36 217 A R + 0 0 109 -2,-0.4 2,-0.1 -3,-0.1 -3,-0.1 -0.674 39.2 174.3 -75.7 102.2 4.4 -36.8 16.8 37 218 A V - 0 0 44 -2,-1.0 3,-0.2 -5,-0.2 85,-0.1 -0.368 44.7-107.9 -92.3 179.9 7.2 -34.3 17.6 38 219 A S S S- 0 0 73 1,-0.3 2,-0.3 -2,-0.1 84,-0.1 0.906 95.1 -17.1 -78.2 -43.8 6.8 -31.4 20.1 39 220 A L - 0 0 24 80,-0.1 2,-0.6 82,-0.0 -1,-0.3 -0.865 52.0-148.0-163.1 129.3 6.7 -28.8 17.4 40 221 A D > - 0 0 32 78,-3.2 4,-3.2 -2,-0.3 5,-0.2 -0.893 16.6-150.5 -96.6 125.5 7.6 -28.5 13.7 41 222 A I H > S+ 0 0 67 -2,-0.6 4,-1.4 1,-0.2 -1,-0.1 0.753 93.4 50.5 -73.1 -27.1 8.7 -25.0 13.0 42 223 A D H > S+ 0 0 77 2,-0.2 4,-1.8 3,-0.1 -1,-0.2 0.827 112.8 47.3 -76.0 -39.2 7.6 -25.0 9.3 43 224 A L H > S+ 0 0 9 2,-0.2 4,-2.7 1,-0.2 3,-0.3 0.983 112.0 49.7 -61.7 -55.4 4.2 -26.2 10.3 44 225 A W H X S+ 0 0 22 -4,-3.2 4,-3.1 74,-0.4 5,-0.3 0.871 108.1 57.1 -51.0 -36.5 4.0 -23.7 13.1 45 226 A D H X S+ 0 0 77 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.930 112.2 36.2 -64.4 -50.9 5.1 -21.0 10.5 46 227 A K H X S+ 0 0 101 -4,-1.8 4,-2.8 -3,-0.3 5,-0.2 0.969 119.1 51.5 -65.8 -50.2 2.2 -21.5 8.0 47 228 A F H X S+ 0 0 30 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.916 109.2 48.4 -54.5 -50.2 -0.3 -22.2 10.8 48 229 A S H X S+ 0 0 12 -4,-3.1 4,-1.3 -5,-0.3 -1,-0.2 0.879 113.1 47.3 -61.7 -38.8 0.5 -19.1 12.8 49 230 A E H X S+ 0 0 111 -4,-1.4 4,-1.1 -5,-0.3 3,-0.2 0.910 110.6 52.6 -69.0 -42.5 0.3 -16.8 9.8 50 231 A L H X S+ 0 0 16 -4,-2.8 4,-1.8 1,-0.2 3,-0.4 0.882 106.0 56.4 -52.8 -39.2 -3.0 -18.5 8.8 51 232 A S H X S+ 0 0 19 -4,-2.0 4,-2.0 1,-0.3 -1,-0.2 0.836 97.9 58.4 -73.9 -31.5 -4.3 -17.8 12.3 52 233 A T H X S+ 0 0 36 -4,-1.3 4,-1.6 -3,-0.2 -1,-0.3 0.870 109.0 48.1 -60.1 -33.7 -3.7 -14.1 12.1 53 234 A K H X S+ 0 0 109 -4,-1.1 4,-2.3 -3,-0.4 -2,-0.2 0.843 108.8 52.7 -78.7 -34.2 -6.0 -14.2 9.0 54 235 A C H X S+ 0 0 28 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.863 107.7 50.9 -59.1 -46.4 -8.7 -16.2 10.8 55 236 A I H X S+ 0 0 6 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.889 109.8 49.7 -66.0 -40.3 -8.8 -13.9 13.6 56 237 A I H X S+ 0 0 53 -4,-1.6 4,-3.1 2,-0.2 -2,-0.2 0.930 112.1 49.1 -58.4 -45.8 -9.2 -11.0 11.2 57 238 A K H X S+ 0 0 82 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.867 109.2 52.8 -61.8 -40.2 -12.0 -13.0 9.4 58 239 A T H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.880 109.4 47.9 -65.3 -41.9 -13.6 -13.6 12.8 59 240 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.957 111.7 50.8 -58.0 -50.8 -13.6 -9.9 13.6 60 241 A E H X S+ 0 0 60 -4,-3.1 4,-1.0 1,-0.2 -2,-0.2 0.869 109.3 52.2 -52.8 -35.7 -15.1 -9.2 10.1 61 242 A F H >< S+ 0 0 0 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.942 109.2 48.7 -68.2 -45.0 -17.7 -11.8 11.0 62 243 A A H >< S+ 0 0 0 -4,-2.0 3,-1.9 1,-0.2 6,-0.2 0.852 104.7 58.0 -59.7 -41.7 -18.6 -10.1 14.2 63 244 A K H 3< S+ 0 0 45 -4,-2.4 6,-0.3 1,-0.3 -1,-0.2 0.791 102.5 55.5 -67.3 -23.7 -18.9 -6.6 12.7 64 245 A Q T << S+ 0 0 68 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.354 84.0 108.9 -90.9 4.7 -21.6 -7.9 10.3 65 246 A L S X> S- 0 0 4 -3,-1.9 3,-2.3 1,-0.1 4,-0.5 -0.711 85.5 -95.6 -87.3 130.6 -23.7 -9.1 13.1 66 247 A P T 34 S- 0 0 51 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.142 103.6 -5.2 -42.4 118.7 -26.9 -7.2 13.8 67 248 A G T >> S+ 0 0 23 -4,-0.1 3,-1.2 1,-0.1 4,-0.6 0.195 96.8 114.3 88.2 -15.9 -26.3 -4.7 16.5 68 249 A F G X4 S+ 0 0 0 -3,-2.3 3,-0.9 1,-0.3 -5,-0.1 0.852 76.7 51.7 -56.6 -41.8 -22.7 -5.7 17.4 69 250 A T G 3< S+ 0 0 82 -4,-0.5 -1,-0.3 -6,-0.3 -6,-0.1 0.585 98.7 66.5 -73.2 -12.1 -21.2 -2.4 16.2 70 251 A T G <4 S+ 0 0 82 -3,-1.2 -1,-0.2 2,-0.1 -2,-0.2 0.716 83.9 91.6 -79.3 -19.7 -23.7 -0.5 18.3 71 252 A L S << S- 0 0 3 -3,-0.9 -4,-0.0 -4,-0.6 5,-0.0 -0.344 97.6 -86.8 -67.0 155.8 -21.9 -1.9 21.5 72 253 A T > - 0 0 42 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.220 35.8-115.7 -56.8 154.7 -19.1 0.2 22.9 73 254 A I H > S+ 0 0 63 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.937 118.6 55.1 -58.5 -36.8 -15.8 -0.5 21.4 74 255 A A H > S+ 0 0 41 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.867 108.2 46.1 -69.2 -38.4 -14.7 -1.7 24.7 75 256 A D H > S+ 0 0 0 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.915 109.7 55.9 -58.3 -49.7 -17.6 -4.2 25.0 76 257 A Q H X S+ 0 0 4 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.873 111.5 43.0 -57.1 -39.1 -16.8 -5.3 21.4 77 258 A I H X S+ 0 0 30 -4,-2.2 4,-3.2 2,-0.2 5,-0.4 0.943 112.2 53.6 -70.8 -47.5 -13.2 -6.1 22.4 78 259 A T H X S+ 0 0 36 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.921 112.4 44.0 -52.4 -49.6 -14.3 -7.7 25.6 79 260 A L H X S+ 0 0 0 -4,-3.2 4,-1.7 2,-0.2 -1,-0.2 0.922 116.1 48.5 -63.1 -46.3 -16.8 -10.1 23.8 80 261 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.3 3,-0.4 0.955 109.1 48.4 -60.4 -55.1 -14.2 -10.8 21.1 81 262 A K H < S+ 0 0 67 -4,-3.2 4,-0.3 1,-0.2 -1,-0.2 0.885 114.3 51.9 -56.2 -34.2 -11.3 -11.6 23.2 82 263 A A H < S+ 0 0 33 -4,-1.6 -1,-0.2 -5,-0.4 4,-0.2 0.878 122.2 22.2 -69.7 -37.5 -13.6 -13.9 25.2 83 264 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 -3,-0.4 -2,-0.2 0.520 94.2 94.8-112.1 -6.8 -15.1 -16.0 22.4 84 265 A C H X S+ 0 0 3 -4,-2.1 4,-1.6 1,-0.3 -1,-0.1 0.737 84.5 49.7 -69.9 -30.1 -12.7 -15.8 19.6 85 266 A L H > S+ 0 0 62 -4,-0.3 4,-1.7 -5,-0.2 -1,-0.3 0.949 110.5 52.4 -71.6 -44.5 -10.7 -18.9 20.3 86 267 A D H > S+ 0 0 2 1,-0.2 4,-2.6 -4,-0.2 3,-0.3 0.902 109.0 50.4 -53.5 -43.7 -13.9 -20.9 20.6 87 268 A I H X S+ 0 0 1 -4,-2.1 4,-3.0 1,-0.3 -1,-0.2 0.875 108.0 51.0 -67.7 -39.2 -15.0 -19.6 17.3 88 269 A L H X S+ 0 0 35 -4,-1.6 4,-2.2 2,-0.2 -1,-0.3 0.781 110.0 50.7 -69.8 -28.7 -11.8 -20.5 15.5 89 270 A I H X S+ 0 0 8 -4,-1.7 4,-1.9 -3,-0.3 -2,-0.2 0.946 113.5 44.8 -72.7 -49.9 -12.1 -24.1 17.0 90 271 A L H X S+ 0 0 2 -4,-2.6 4,-1.0 2,-0.2 3,-0.3 0.959 114.2 51.2 -51.6 -53.8 -15.7 -24.4 15.7 91 272 A R H >< S+ 0 0 3 -4,-3.0 3,-1.5 1,-0.3 4,-0.3 0.923 111.9 43.6 -53.5 -58.5 -14.7 -23.0 12.4 92 273 A I H >< S+ 0 0 17 -4,-2.2 3,-1.1 1,-0.3 12,-0.3 0.794 110.7 56.8 -58.9 -29.7 -11.8 -25.3 11.8 93 274 A C H >< S+ 0 0 2 -4,-1.9 3,-0.8 -3,-0.3 -1,-0.3 0.625 96.6 63.0 -79.8 -12.9 -13.8 -28.3 12.9 94 275 A T T << S+ 0 0 50 -3,-1.5 -73,-0.3 -4,-1.0 -1,-0.3 0.562 99.4 58.5 -81.1 -11.1 -16.4 -27.5 10.3 95 276 A R T < S+ 0 0 2 -3,-1.1 9,-1.6 -4,-0.3 2,-0.3 0.012 78.5 130.8-107.7 24.2 -13.6 -28.2 7.9 96 277 A Y E < -B 103 0B 17 -3,-0.8 7,-0.2 7,-0.2 -3,-0.1 -0.631 43.3-157.9 -82.9 133.9 -12.9 -31.8 9.0 97 278 A T E >> -B 102 0B 12 5,-2.0 4,-1.5 -2,-0.3 5,-1.3 -0.882 3.3-165.4-109.1 98.5 -12.6 -34.6 6.5 98 279 A P T >45S+ 0 0 50 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.911 84.5 55.8 -49.4 -56.7 -13.3 -37.9 8.3 99 280 A E T 345S+ 0 0 144 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.899 121.2 28.2 -38.9 -57.0 -11.9 -40.2 5.5 100 281 A Q T 345S- 0 0 123 -3,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.586 102.4-130.8 -85.4 -8.4 -8.5 -38.5 5.5 101 282 A D T <<5 + 0 0 38 -4,-1.5 12,-1.0 -3,-0.8 2,-0.2 0.989 64.5 131.3 49.4 62.0 -8.8 -37.5 9.2 102 283 A T E < -BC 97 112B 9 -5,-1.3 -5,-2.0 10,-0.2 2,-0.4 -0.810 51.8-140.5-133.9 172.5 -7.7 -34.0 8.1 103 284 A M E -BC 96 111B 0 8,-2.1 8,-2.3 -2,-0.2 2,-0.6 -0.996 15.6-142.8-140.8 139.6 -8.6 -30.3 8.4 104 285 A T E - C 0 110B 0 -9,-1.6 6,-0.3 -2,-0.4 5,-0.1 -0.869 7.0-146.1-111.5 120.1 -8.5 -27.7 5.8 105 286 A F > - 0 0 11 4,-3.7 3,-1.6 -2,-0.6 -58,-0.0 -0.328 36.3 -99.3 -71.4 163.0 -7.5 -24.1 6.3 106 287 A S T 3 S+ 0 0 47 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.593 122.9 52.2 -67.7 -13.0 -9.1 -21.2 4.4 107 288 A D T 3 S- 0 0 79 2,-0.1 -1,-0.3 -83,-0.1 -82,-0.1 0.603 128.1 -93.9 -98.6 -15.3 -6.2 -21.0 1.9 108 289 A G S < S+ 0 0 0 -3,-1.6 -81,-1.2 1,-0.3 -2,-0.1 0.092 73.3 149.6 133.9 -13.4 -6.4 -24.8 1.1 109 290 A L B -a 27 0A 10 -83,-0.2 -4,-3.7 -5,-0.1 2,-0.6 -0.242 26.9-166.8 -60.0 124.6 -3.9 -26.0 3.6 110 291 A T E -C 104 0B 6 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A G T <<5S+ 0 0 9 -3,-1.2 -3,-0.2 -4,-0.5 -2,-0.2 0.477 105.9 106.3 134.2 5.0 1.1 -26.5 18.0 121 302 A F T > < + 0 0 33 -5,-1.7 3,-2.6 1,-0.2 4,-0.3 0.861 46.6 151.8 -74.5 -31.6 -2.1 -28.2 19.0 122 303 A G G > S+ 0 0 22 -3,-2.6 4,-2.6 1,-0.2 3,-0.4 0.721 80.0 92.3 -79.1 -20.6 -5.4 -30.4 22.4 125 306 A T H <> S+ 0 0 1 -3,-1.3 4,-2.4 -4,-0.3 5,-0.2 0.880 87.0 45.3 -38.9 -57.0 -5.1 -32.2 19.1 126 307 A D H > S+ 0 0 70 -3,-0.4 4,-2.5 -4,-0.4 -1,-0.2 0.867 111.9 50.9 -65.7 -36.8 -7.2 -35.2 20.2 127 308 A L H > S+ 0 0 47 -3,-0.4 4,-2.3 -4,-0.4 -1,-0.3 0.905 110.3 50.0 -65.3 -40.1 -9.9 -33.1 21.8 128 309 A V H X S+ 0 0 3 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.970 112.3 47.7 -62.5 -48.8 -10.3 -31.0 18.7 129 310 A F H X S+ 0 0 1 -4,-2.4 4,-1.6 -5,-0.3 -2,-0.2 0.865 110.4 51.1 -58.7 -39.4 -10.6 -34.1 16.6 130 311 A A H X S+ 0 0 26 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.933 110.5 49.2 -65.0 -44.7 -13.1 -35.7 18.8 131 312 A F H X S+ 0 0 3 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.910 107.7 54.0 -57.7 -49.6 -15.3 -32.5 18.8 132 313 A A H X S+ 0 0 0 -4,-2.6 4,-0.6 1,-0.2 3,-0.5 0.852 110.9 47.1 -51.9 -39.9 -15.0 -32.4 15.0 133 314 A N H >< S+ 0 0 63 -4,-1.6 3,-0.6 1,-0.2 -2,-0.2 0.865 107.5 55.5 -72.6 -39.1 -16.3 -36.0 14.8 134 315 A Q H 3< S+ 0 0 45 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.613 101.8 60.3 -67.6 -11.8 -19.1 -35.3 17.3 135 316 A L H >X S+ 0 0 12 -4,-0.7 3,-0.9 -3,-0.5 4,-0.8 0.781 87.1 74.5 -78.0 -32.7 -20.3 -32.4 14.9 136 317 A L G X< S+ 0 0 71 -4,-0.6 3,-1.6 -3,-0.6 -2,-0.1 0.895 90.6 53.2 -53.8 -51.9 -20.9 -34.7 11.9 137 318 A P G 34 S+ 0 0 97 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.815 103.3 61.0 -54.4 -31.2 -24.2 -36.2 13.3 138 319 A L G <4 S- 0 0 9 -3,-0.9 -2,-0.2 -4,-0.3 -3,-0.1 0.775 89.6-155.7 -67.0 -27.4 -25.5 -32.7 13.8 139 320 A E << - 0 0 144 -3,-1.6 2,-0.2 -4,-0.8 -3,-0.1 0.915 20.6-171.9 54.6 51.0 -25.2 -31.9 10.0 140 321 A M - 0 0 36 -5,-0.4 -1,-0.2 4,-0.1 2,-0.1 -0.484 10.8-161.0 -83.5 145.0 -24.9 -28.2 10.5 141 322 A D > - 0 0 43 -2,-0.2 4,-2.1 1,-0.0 5,-0.2 -0.364 41.6 -79.0-106.3-165.8 -24.9 -25.7 7.7 142 323 A D H > S+ 0 0 37 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.815 125.9 51.5 -66.0 -38.7 -23.7 -22.1 7.5 143 324 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.903 113.7 45.4 -70.0 -38.1 -26.7 -20.5 9.2 144 325 A E H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.897 115.5 45.4 -70.4 -34.9 -26.4 -22.9 12.1 145 326 A T H X S+ 0 0 3 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.837 115.5 48.7 -77.9 -32.0 -22.6 -22.6 12.5 146 327 A G H X S+ 0 0 0 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.938 113.9 45.3 -70.5 -49.1 -23.0 -18.8 12.1 147 328 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 3,-0.2 0.940 111.1 52.1 -61.1 -48.2 -25.7 -18.6 14.7 148 329 A L H X S+ 0 0 1 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.918 111.3 48.3 -56.4 -43.8 -24.0 -20.9 17.1 149 330 A S H X S+ 0 0 1 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.839 110.0 52.4 -60.9 -34.8 -20.9 -18.6 16.8 150 331 A A H X S+ 0 0 0 -4,-1.8 4,-3.0 -3,-0.2 -1,-0.2 0.802 109.0 50.0 -73.7 -30.5 -23.0 -15.5 17.3 151 332 A I H < S+ 0 0 0 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.879 110.2 47.7 -74.4 -37.8 -24.4 -17.0 20.4 152 333 A C H < S+ 0 0 4 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.925 118.7 45.2 -64.9 -46.9 -21.0 -17.9 21.9 153 334 A L H < S+ 0 0 0 -4,-2.3 2,-2.0 1,-0.2 -2,-0.2 0.944 103.9 59.1 -63.1 -54.5 -19.9 -14.4 21.0 154 335 A I S < S+ 0 0 1 -4,-3.0 2,-0.6 -5,-0.1 -1,-0.2 -0.515 73.5 156.1 -83.5 79.2 -22.8 -12.3 22.2 155 336 A C > - 0 0 13 -2,-2.0 3,-1.3 -3,-0.1 13,-0.1 -0.909 35.8-158.9-112.7 113.7 -22.6 -13.4 25.8 156 337 A G T 3 S+ 0 0 4 -2,-0.6 12,-0.1 1,-0.2 -1,-0.1 0.689 85.8 65.7 -58.0 -20.7 -24.1 -11.1 28.6 157 338 A D T 3 + 0 0 31 10,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.399 66.0 130.0 -94.6 1.9 -22.1 -12.7 31.3 158 339 A R X - 0 0 31 -3,-1.3 3,-1.0 1,-0.1 2,-0.2 -0.254 65.9-106.4 -49.9 140.5 -18.5 -11.7 30.3 159 340 A Q T 3 S+ 0 0 104 1,-0.2 -1,-0.1 -81,-0.1 -2,-0.0 -0.484 100.2 15.6 -63.0 138.8 -16.4 -10.1 33.0 160 341 A D T 3 S+ 0 0 135 1,-0.3 2,-0.2 -2,-0.2 -1,-0.2 0.498 80.8 156.4 77.1 5.4 -15.9 -6.3 32.7 161 342 A L < - 0 0 16 -3,-1.0 -1,-0.3 1,-0.2 -86,-0.1 -0.496 34.6-154.0 -61.7 128.5 -18.7 -5.8 30.2 162 343 A E S S+ 0 0 121 -2,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.767 90.3 29.0 -74.0 -30.7 -19.9 -2.2 30.4 163 344 A Q >> + 0 0 65 1,-0.1 4,-2.2 -91,-0.1 3,-0.9 -0.403 64.3 157.9-129.0 65.2 -23.4 -3.0 29.1 164 345 A P H 3> S+ 0 0 53 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.825 77.0 57.4 -53.5 -29.6 -24.2 -6.5 30.1 165 346 A D H 3> S+ 0 0 124 1,-0.2 4,-0.9 2,-0.2 -9,-0.1 0.844 106.4 44.7 -76.9 -35.7 -27.9 -5.7 29.7 166 347 A R H <> S+ 0 0 87 -3,-0.9 4,-1.9 2,-0.2 3,-0.2 0.874 109.4 56.1 -75.1 -41.2 -27.7 -4.6 26.2 167 348 A V H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.900 107.2 51.7 -54.4 -43.7 -25.5 -7.7 25.2 168 349 A D H X S+ 0 0 25 -4,-2.0 4,-1.0 -5,-0.2 -1,-0.2 0.824 105.2 54.7 -62.6 -33.8 -28.2 -9.9 26.6 169 350 A M H < S+ 0 0 102 -4,-0.9 3,-0.4 -3,-0.2 -1,-0.2 0.900 109.2 49.3 -69.2 -37.5 -30.8 -8.1 24.5 170 351 A L H X S+ 0 0 42 -4,-1.9 4,-0.7 1,-0.2 -2,-0.2 0.858 106.8 53.9 -65.7 -36.7 -28.8 -8.8 21.4 171 352 A Q H X S+ 0 0 4 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.720 93.4 73.5 -78.4 -20.5 -28.4 -12.4 22.1 172 353 A E H X S+ 0 0 44 -4,-1.0 4,-1.9 -3,-0.4 5,-0.2 0.957 95.8 44.8 -65.4 -49.4 -32.1 -13.2 22.5 173 354 A P H > S+ 0 0 52 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.822 110.6 58.5 -61.8 -25.2 -33.2 -13.0 18.9 174 355 A L H X S+ 0 0 8 -4,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.961 106.4 46.4 -66.9 -48.9 -30.1 -15.1 18.0 175 356 A L H X S+ 0 0 4 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.844 115.9 46.2 -55.4 -41.9 -31.2 -18.0 20.3 176 357 A E H X S+ 0 0 83 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.941 108.7 53.8 -69.9 -48.3 -34.7 -17.8 19.0 177 358 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.3 -2,-0.2 0.910 112.1 46.3 -55.6 -44.2 -33.6 -17.6 15.4 178 359 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.3 0.895 109.5 54.9 -63.5 -41.4 -31.6 -20.8 15.9 179 360 A K H X S+ 0 0 79 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.940 114.1 39.1 -55.6 -50.6 -34.4 -22.5 17.7 180 361 A V H X S+ 0 0 56 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.875 114.9 54.1 -74.7 -35.2 -36.8 -22.0 14.9 181 362 A Y H X S+ 0 0 19 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.890 110.2 45.6 -62.8 -43.3 -34.2 -22.7 12.2 182 363 A V H X S+ 0 0 2 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.791 111.3 53.7 -72.7 -29.5 -33.3 -26.0 13.7 183 364 A R H < S+ 0 0 118 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.922 107.8 50.4 -71.5 -46.0 -36.9 -27.0 14.1 184 365 A K H < S+ 0 0 147 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.965 117.3 38.7 -47.8 -60.5 -37.6 -26.2 10.5 185 366 A R H < S+ 0 0 97 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.805 130.7 28.5 -70.2 -30.1 -34.8 -28.3 9.2 186 367 A R >< + 0 0 21 -4,-2.0 3,-0.6 -5,-0.2 -1,-0.3 -0.644 61.5 152.2-133.6 75.9 -35.2 -31.1 11.8 187 368 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.905 73.4 65.2 -70.2 -38.8 -38.8 -31.4 13.0 188 369 A S T 3 S+ 0 0 101 1,-0.2 -5,-0.1 -3,-0.1 -2,-0.0 0.706 103.3 52.3 -48.6 -25.7 -38.3 -35.2 13.7 189 370 A R X + 0 0 110 -3,-0.6 3,-0.7 -6,-0.1 4,-0.2 -0.907 58.6 176.8-131.3 103.7 -35.8 -34.2 16.5 190 371 A P T 3 S+ 0 0 47 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.711 77.6 54.8 -85.2 -22.0 -36.7 -31.7 19.2 191 372 A H T 3> S+ 0 0 34 1,-0.2 4,-1.2 2,-0.1 230,-0.0 -0.021 78.9 97.1-105.2 32.6 -33.6 -31.7 21.4 192 373 A M H <> S+ 0 0 15 -3,-0.7 4,-2.6 -6,-0.2 -1,-0.2 0.831 78.2 55.6 -83.7 -38.1 -31.4 -30.9 18.6 193 374 A F H > S+ 0 0 15 -3,-0.5 4,-2.7 -4,-0.2 5,-0.2 0.961 113.2 41.5 -58.3 -52.9 -31.4 -27.1 19.4 194 375 A P H > S+ 0 0 6 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.907 110.0 58.5 -63.0 -35.6 -30.2 -27.9 22.9 195 376 A K H < S+ 0 0 39 -4,-1.2 4,-0.3 1,-0.2 -2,-0.2 0.935 109.9 45.3 -56.4 -45.6 -27.8 -30.5 21.6 196 377 A M H >X S+ 0 0 0 -4,-2.6 3,-2.2 1,-0.2 4,-0.6 0.938 108.9 53.6 -58.1 -56.9 -26.3 -27.7 19.5 197 378 A L H >< S+ 0 0 3 -4,-2.7 3,-1.5 1,-0.3 4,-0.5 0.877 103.4 59.0 -43.1 -42.4 -26.2 -25.1 22.4 198 379 A M T 3X S+ 0 0 20 -4,-2.3 4,-0.7 1,-0.3 3,-0.4 0.608 88.5 73.8 -70.9 -13.1 -24.3 -27.6 24.5 199 380 A K H X> S+ 0 0 0 -3,-2.2 4,-2.1 -4,-0.3 3,-0.5 0.823 84.0 66.3 -69.7 -31.1 -21.6 -27.8 21.9 200 381 A I H S+ 0 0 10 -4,-0.5 4,-2.1 -3,-0.4 -1,-0.2 0.851 103.9 48.9 -62.4 -37.7 -19.6 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1,-0.2 4,-0.9 2,-0.2 11,-0.1 0.877 111.2 48.3 -61.4 -41.8 -11.1 -39.7 47.0 475 410 C I H >> S+ 0 0 19 -3,-0.3 4,-0.8 1,-0.2 3,-0.7 0.867 106.1 59.7 -66.0 -38.2 -10.5 -36.3 45.6 476 411 C Q H >X S+ 0 0 42 -4,-2.0 4,-2.1 1,-0.2 3,-0.8 0.933 104.0 51.4 -51.3 -43.5 -7.4 -37.7 44.0 477 412 C E H 3< S+ 0 0 30 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.700 103.7 56.3 -72.9 -19.9 -9.6 -40.2 42.1 478 413 C M H << S+ 0 0 9 -4,-0.9 -1,-0.2 -3,-0.7 -147,-0.2 0.672 119.6 29.0 -80.6 -19.4 -12.0 -37.6 40.7 479 414 C L H << 0 0 74 -4,-0.8 -2,-0.2 -3,-0.8 -3,-0.1 0.644 360.0 360.0-116.4 -28.2 -9.2 -35.5 39.0 480 415 C E < 0 0 138 -4,-2.1 -3,-0.1 -5,-0.2 -4,-0.1 0.688 360.0 360.0 -93.8 360.0 -6.4 -38.0 38.2 481 !* 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 0.0 482 1432 D K 0 0 212 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 37.2 -11.7 -51.4 44.1 483 1433 D S - 0 0 49 1,-0.2 2,-0.5 2,-0.1 -6,-0.1 0.467 360.0-108.0 -53.5 3.2 -10.3 -48.0 43.1 484 1434 D L S S+ 0 0 55 1,-0.1 4,-0.3 -7,-0.0 -1,-0.2 -0.345 114.8 64.2 107.2 -53.6 -12.4 -46.6 46.0 485 1435 D L S > S+ 0 0 3 -2,-0.5 4,-1.3 1,-0.2 -1,-0.1 0.542 95.4 63.8 -78.0 -7.7 -15.2 -44.8 44.2 486 1436 D Q H > S+ 0 0 55 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.784 95.1 59.0 -80.5 -31.9 -16.2 -48.2 42.9 487 1437 D Q H 4 S+ 0 0 88 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.700 105.4 49.3 -64.2 -23.1 -16.9 -49.0 46.5 488 1438 D L H >4 S+ 0 0 38 -4,-0.3 3,-0.6 3,-0.1 -2,-0.2 0.890 115.7 42.8 -81.6 -37.8 -19.4 -46.2 46.4 489 1439 D L H 3< S+ 0 0 12 -4,-1.3 2,-1.0 1,-0.2 -2,-0.2 0.933 111.3 50.3 -71.6 -47.9 -21.0 -47.5 43.3 490 1440 D T T 3< 0 0 75 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.1 -0.235 360.0 360.0 -93.3 44.8 -21.2 -51.2 44.0 491 1441 D E < 0 0 152 -2,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.376 360.0 360.0-158.1 360.0 -22.8 -50.9 47.4