==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE/GROWTH FACTOR RECEPTOR 31-JAN-03 1NUO . COMPND 2 MOLECULE: THYROID HORMONE RECEPTOR BETA-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.R.HUBER,B.SANDLER,B.L.WEST,S.T.CUNHA-LIMA,H.T.NGUYEN, . 247 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11952.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 77.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 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 . 12 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 54.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 2 1 1 1 1 0 0 0 1 2 0 1 0 0 0 0 0 0 2 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 201 A M > 0 0 176 0, 0.0 4,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 26.1 34.7 23.9 38.1 2 202 A E H > + 0 0 76 2,-0.1 4,-1.1 3,-0.1 3,-0.1 0.887 360.0 37.3 -93.5 -68.3 31.9 22.6 40.4 3 203 A E H > S+ 0 0 78 1,-0.2 4,-1.8 2,-0.2 -1,-0.0 0.760 117.8 58.7 -54.4 -24.4 28.6 24.3 39.3 4 204 A L H > S+ 0 0 117 2,-0.2 4,-1.7 1,-0.2 5,-0.3 0.991 98.7 51.7 -67.7 -63.1 30.0 24.0 35.8 5 205 A Q H <>S+ 0 0 52 -4,-0.5 5,-3.2 1,-0.2 -1,-0.2 0.691 109.0 59.7 -44.5 -23.8 30.4 20.1 35.8 6 206 A K H ><5S+ 0 0 60 -4,-1.1 3,-3.9 3,-0.2 -1,-0.2 0.974 101.0 47.7 -70.6 -62.6 26.8 20.3 36.9 7 207 A S H 3<5S+ 0 0 91 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.813 110.1 53.4 -51.5 -31.5 25.5 22.1 33.9 8 208 A I T 3<5S- 0 0 133 -4,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.399 116.1-119.8 -85.0 1.4 27.3 19.7 31.6 9 209 A G T < 5 + 0 0 66 -3,-3.9 2,-0.3 -5,-0.3 -3,-0.2 0.777 64.7 139.4 70.0 26.6 25.6 16.9 33.5 10 210 A H < - 0 0 51 -5,-3.2 -1,-0.2 0, 0.0 -2,-0.1 -0.750 50.7-132.4 -98.5 151.1 28.7 15.1 34.9 11 211 A K - 0 0 55 -2,-0.3 -5,-0.1 186,-0.1 -6,-0.0 -0.815 22.3-132.4-105.6 101.5 28.6 13.9 38.4 12 212 A P - 0 0 15 0, 0.0 185,-0.3 0, 0.0 186,-0.3 -0.156 19.0-154.0 -50.1 121.9 31.7 14.9 40.1 13 213 A E - 0 0 106 1,-0.2 182,-0.2 184,-0.2 181,-0.1 -0.517 40.7 -67.3 -93.6 165.7 33.4 12.0 42.1 14 214 A P - 0 0 13 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 -0.141 50.9-137.4 -60.1 162.5 35.6 12.7 45.1 15 215 A T > - 0 0 71 -3,-0.1 4,-3.5 1,-0.1 5,-0.2 -0.360 29.9 -90.2-109.0-176.9 38.8 14.3 44.7 16 216 A D H > S+ 0 0 87 2,-0.2 4,-1.5 1,-0.2 -1,-0.1 0.999 126.2 43.9 -60.3 -64.9 42.2 13.7 46.2 17 217 A E H > S+ 0 0 81 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.786 118.5 48.1 -56.4 -24.1 41.8 16.0 49.2 18 218 A E H > S+ 0 0 22 2,-0.2 4,-3.5 1,-0.2 5,-0.3 0.948 102.6 55.9 -82.4 -47.8 38.3 14.5 49.6 19 219 A W H X S+ 0 0 88 -4,-3.5 4,-1.7 1,-0.2 -2,-0.2 0.777 107.6 57.8 -58.3 -20.4 39.0 10.8 49.4 20 220 A E H X S+ 0 0 54 -4,-1.5 4,-2.9 -5,-0.2 -1,-0.2 0.997 108.2 40.7 -64.2 -62.7 41.4 11.7 52.2 21 221 A L H X S+ 0 0 37 -4,-1.3 4,-3.6 2,-0.3 5,-0.3 0.782 113.0 57.4 -49.9 -42.4 38.6 13.1 54.5 22 222 A I H X S+ 0 0 4 -4,-3.5 4,-3.7 2,-0.2 -1,-0.2 0.955 110.0 42.3 -64.6 -43.6 36.4 10.3 53.5 23 223 A K H X S+ 0 0 57 -4,-1.7 4,-3.2 -5,-0.3 -2,-0.3 0.953 114.0 50.5 -61.5 -53.1 39.0 7.8 54.6 24 224 A T H X S+ 0 0 72 -4,-2.9 4,-1.2 1,-0.2 -2,-0.2 0.899 119.4 39.5 -51.8 -46.7 39.7 9.7 57.8 25 225 A V H X S+ 0 0 2 -4,-3.6 4,-1.4 1,-0.2 -2,-0.2 0.895 113.8 52.6 -73.3 -46.5 36.0 9.9 58.4 26 226 A T H X S+ 0 0 21 -4,-3.7 4,-2.1 -5,-0.3 -1,-0.2 0.880 103.7 57.8 -57.3 -39.5 35.1 6.3 57.3 27 227 A E H X S+ 0 0 54 -4,-3.2 4,-2.9 -5,-0.2 5,-0.3 0.975 103.0 53.7 -54.9 -53.3 37.7 4.8 59.5 28 228 A A H < S+ 0 0 2 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.862 104.9 52.9 -45.0 -50.4 36.2 6.3 62.7 29 229 A H H >< S+ 0 0 11 -4,-1.4 3,-1.3 1,-0.2 -1,-0.3 0.982 114.3 43.4 -54.5 -53.4 32.9 5.0 62.0 30 230 A V H >< S+ 0 0 75 -4,-2.1 3,-1.2 1,-0.3 -2,-0.3 0.816 106.2 59.4 -63.2 -33.5 34.4 1.6 61.6 31 231 A A T 3< S+ 0 0 68 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.260 115.6 37.7 -75.2 8.7 36.7 1.9 64.7 32 232 A T T < S+ 0 0 29 -3,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.334 89.4 92.4-147.8 22.2 33.6 2.4 66.8 33 233 A N < 0 0 41 -3,-1.2 4,-0.3 88,-0.0 -3,-0.1 -0.424 360.0 360.0-116.1 45.1 31.0 -0.0 65.2 34 234 A A 0 0 103 2,-0.1 -3,-0.1 3,-0.1 -4,-0.0 -0.104 360.0 360.0 -44.6 360.0 31.7 -3.2 67.4 35 ! 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 36 235 A G 0 0 30 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 -62.8 28.8 -4.5 63.1 37 236 A S + 0 0 102 -4,-0.3 -3,-0.1 1,-0.2 0, 0.0 0.596 360.0 25.2 -83.2 -8.6 29.6 -8.1 61.9 38 237 A H S > S+ 0 0 106 3,-0.1 4,-2.9 2,-0.0 5,-0.2 0.144 80.7 107.1-149.0 24.7 27.3 -9.9 64.4 39 238 A W H > S+ 0 0 48 -3,-0.3 4,-2.7 2,-0.3 -2,-0.1 0.932 87.1 50.2 -73.2 -47.4 24.4 -7.6 65.7 40 239 A K H 4 S+ 0 0 106 -4,-0.2 -1,-0.2 1,-0.2 -3,-0.0 0.590 119.0 48.5 -63.2 -8.0 21.7 -9.5 63.7 41 240 A Q H 4 S+ 0 0 142 1,-0.0 -2,-0.3 3,-0.0 -1,-0.2 0.888 118.2 29.1 -99.2 -49.6 23.5 -12.2 65.5 42 241 A K H < S+ 0 0 59 -4,-2.9 -3,-0.2 79,-0.2 -2,-0.2 0.669 85.0 130.9 -80.1 -23.8 23.9 -11.3 69.1 43 242 A R < - 0 0 45 -4,-2.7 2,-0.6 -5,-0.2 80,-0.3 -0.152 49.6-147.7 -42.0 113.5 20.7 -9.2 69.1 44 243 A K E -a 123 0A 161 78,-4.5 80,-2.6 1,-0.0 2,-0.5 -0.792 10.0-132.0 -92.8 119.4 18.7 -10.3 72.1 45 244 A F E -a 124 0A 116 -2,-0.6 80,-0.2 78,-0.2 3,-0.1 -0.588 24.5-127.0 -69.2 115.6 14.9 -10.0 71.6 46 245 A L - 0 0 12 78,-2.0 2,-0.2 -2,-0.5 80,-0.1 -0.377 39.1 -90.2 -65.0 136.8 13.5 -8.3 74.7 47 246 A P > - 0 0 63 0, 0.0 3,-3.6 0, 0.0 -1,-0.1 -0.276 33.2-132.0 -52.8 118.7 10.7 -10.4 76.2 48 247 A D T 3 S+ 0 0 129 1,-0.3 -2,-0.1 -2,-0.2 78,-0.0 0.781 103.9 69.5 -51.9 -20.7 7.6 -9.2 74.5 49 248 A D T 3 S+ 0 0 121 1,-0.1 2,-0.8 3,-0.1 -1,-0.3 0.643 83.1 88.4 -73.7 -5.6 5.9 -8.9 77.8 50 249 A I S < S+ 0 0 30 -3,-3.6 -1,-0.1 1,-0.2 83,-0.1 -0.789 99.4 7.6 -92.1 107.3 8.2 -5.9 78.5 51 250 A G 0 0 6 -2,-0.8 -1,-0.2 3,-0.1 81,-0.1 0.914 360.0 360.0 85.8 76.6 6.7 -2.7 77.2 52 251 A Q 0 0 114 -3,-0.3 -2,-0.1 80,-0.1 -3,-0.1 0.506 360.0 360.0-125.1 360.0 3.1 -3.6 76.2 53 ! 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 54 265 A D 0 0 92 0, 0.0 2,-1.3 0, 0.0 79,-0.2 0.000 360.0 360.0 360.0 -41.4 6.3 1.6 81.2 55 266 A L > + 0 0 97 77,-0.3 4,-0.7 1,-0.2 78,-0.1 0.020 360.0 66.5 73.3 -32.1 9.3 2.1 83.4 56 267 A E H >> S+ 0 0 56 -2,-1.3 4,-1.4 2,-0.2 3,-0.7 0.958 108.2 36.4 -81.0 -60.2 10.4 -1.5 83.2 57 268 A A H 3> S+ 0 0 0 1,-0.3 4,-1.3 2,-0.2 5,-0.2 0.910 114.2 57.7 -57.3 -42.7 11.3 -1.3 79.5 58 269 A F H 3> S+ 0 0 15 74,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.949 101.9 60.4 -52.3 -39.3 12.5 2.2 80.1 59 270 A S H X S+ 0 0 65 -4,-1.4 3,-1.6 2,-0.2 4,-1.1 0.946 113.5 50.0 -42.1 -73.5 16.5 -1.7 80.2 61 272 A F H 3< S+ 0 0 20 -4,-1.3 -2,-0.2 1,-0.3 -1,-0.2 0.854 107.8 56.0 -33.2 -65.9 17.0 1.0 77.5 62 273 A T H >< S+ 0 0 15 -4,-2.6 3,-0.9 -5,-0.2 4,-0.3 0.773 107.6 50.2 -35.5 -49.2 18.4 3.4 80.2 63 274 A K H X< S+ 0 0 62 -4,-1.9 2,-2.0 -3,-1.6 3,-1.7 0.991 109.3 45.0 -52.0 -78.3 21.1 0.9 81.1 64 275 A I T 3< S+ 0 0 26 -4,-1.1 4,-0.4 1,-0.3 -1,-0.2 -0.088 97.5 84.1 -59.6 31.9 22.5 -0.0 77.7 65 276 A I T <> + 0 0 39 -2,-2.0 4,-2.3 -3,-0.9 -1,-0.3 0.604 67.9 68.8-113.1 -27.9 22.6 3.6 76.8 66 277 A T H <> S+ 0 0 55 -3,-1.7 4,-1.1 -4,-0.3 -2,-0.1 0.917 103.7 48.5 -61.1 -35.5 25.8 4.9 78.2 67 278 A P H >> S+ 0 0 55 0, 0.0 4,-2.2 0, 0.0 3,-1.7 0.991 107.8 55.1 -63.0 -55.0 27.7 2.8 75.6 68 279 A A H 3> S+ 0 0 15 -4,-0.4 4,-1.2 1,-0.3 -2,-0.2 0.873 108.5 48.4 -46.0 -42.9 25.5 4.1 72.8 69 280 A I H 3X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -1,-0.3 0.793 108.0 54.3 -71.4 -25.9 26.3 7.6 73.7 70 281 A T H S+ 0 0 81 0, 0.0 4,-1.4 0, 0.0 3,-0.2 0.711 95.3 61.8 -65.9 -17.7 40.6 16.5 63.3 81 292 A M H 4 S+ 0 0 30 1,-0.2 4,-0.3 2,-0.2 -2,-0.1 0.886 103.9 46.5 -72.6 -40.6 37.8 18.9 62.3 82 293 A F H 4 S+ 0 0 10 1,-0.2 3,-0.3 -6,-0.2 -1,-0.2 0.756 112.7 53.5 -68.7 -18.0 36.0 18.4 65.5 83 294 A C H < S+ 0 0 76 -4,-0.7 -2,-0.2 1,-0.2 -1,-0.2 0.781 92.3 67.4 -94.3 -26.1 39.4 18.8 67.4 84 295 A E S < S+ 0 0 133 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.1 0.651 92.1 86.0 -66.1 -7.1 40.3 22.1 65.9 85 296 A L S S- 0 0 7 -3,-0.3 0, 0.0 -4,-0.3 0, 0.0 -0.726 86.2 -92.7 -99.4 153.1 37.3 23.5 67.9 86 297 A P > - 0 0 41 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.183 33.6-107.9 -55.8 165.0 37.1 24.8 71.5 87 298 A C H > S+ 0 0 88 2,-0.2 4,-2.0 3,-0.2 5,-0.1 0.885 120.7 52.3 -61.2 -43.4 36.1 22.7 74.6 88 299 A E H >> S+ 0 0 121 2,-0.2 4,-2.3 1,-0.2 3,-0.7 0.976 111.6 39.8 -58.7 -66.3 32.9 24.6 74.6 89 300 A D H 3> S+ 0 0 0 1,-0.3 4,-2.6 2,-0.2 5,-0.4 0.902 111.6 62.2 -52.1 -42.0 31.8 24.1 70.9 90 301 A Q H 3X S+ 0 0 50 -4,-2.3 4,-1.6 1,-0.2 -1,-0.3 0.946 108.3 40.7 -53.3 -45.8 33.0 20.6 71.2 91 302 A I H S+ 0 0 6 -4,-0.4 4,-1.3 2,-0.2 -1,-0.2 0.941 111.3 40.7 -60.0 -48.7 20.6 12.3 65.9 101 312 A I H X S+ 0 0 3 -4,-2.3 4,-2.8 2,-0.2 3,-0.3 0.918 110.7 53.9 -66.8 -47.7 23.5 9.8 65.7 102 313 A M H X S+ 0 0 22 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.832 107.4 57.8 -56.9 -28.3 22.2 7.2 68.0 103 314 A S H X S+ 0 0 1 -4,-1.4 4,-3.9 -5,-0.3 -1,-0.2 0.911 107.0 42.9 -65.7 -46.6 19.1 7.3 65.8 104 315 A L H X S+ 0 0 0 -4,-1.3 4,-3.5 -3,-0.3 5,-0.5 0.960 112.6 54.0 -61.8 -54.7 20.9 6.4 62.6 105 316 A H H X S+ 0 0 23 -4,-2.8 4,-0.9 1,-0.2 -1,-0.2 0.870 112.9 45.1 -47.0 -36.2 22.7 3.9 64.5 106 317 A A H < S+ 0 0 11 -4,-1.5 12,-0.6 -5,-0.2 -2,-0.3 0.915 116.0 44.2 -75.7 -46.0 19.2 2.6 65.6 107 318 A A H >< S+ 0 0 3 -4,-3.9 3,-0.9 1,-0.2 -2,-0.2 0.778 106.8 56.4 -73.1 -34.0 17.6 2.8 62.1 108 319 A V H 3< S+ 0 0 57 -4,-3.5 2,-1.0 1,-0.3 -1,-0.2 0.902 103.1 59.9 -67.7 -30.3 20.4 1.3 60.1 109 320 A R T 3< S+ 0 0 34 -4,-0.9 9,-1.7 -5,-0.5 2,-0.5 -0.133 79.7 130.4 -91.4 52.0 20.0 -1.7 62.5 110 321 A Y E < -B 117 0A 27 -2,-1.0 7,-0.2 -3,-0.9 3,-0.1 -0.826 44.9-155.4-103.4 121.5 16.3 -2.3 61.4 111 322 A D E >> -B 116 0A 3 5,-2.9 5,-0.8 -2,-0.5 4,-0.7 -0.766 5.4-165.5-100.3 109.0 15.3 -5.8 60.5 112 323 A P T 45S+ 0 0 77 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.770 84.5 64.0 -59.3 -20.4 12.3 -5.6 58.3 113 324 A E T 45S+ 0 0 156 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.959 117.0 19.1 -64.9 -86.4 11.8 -9.3 59.0 114 325 A S T 45S- 0 0 32 1,-0.1 -1,-0.2 2,-0.1 -3,-0.1 0.323 106.5-127.8 -66.4 -0.4 11.1 -9.6 62.7 115 326 A E T <5 + 0 0 131 -4,-0.7 12,-0.4 1,-0.1 2,-0.2 0.818 64.2 123.9 49.3 53.1 10.2 -5.9 62.3 116 327 A T E < -B 111 0A 5 -5,-0.8 -5,-2.9 10,-0.1 2,-0.3 -0.840 55.2-131.2-133.3 166.2 12.5 -4.7 65.2 117 328 A L E -BC 110 125A 0 8,-1.6 8,-1.8 -2,-0.2 2,-0.7 -0.849 25.3-127.0-111.3 149.4 15.4 -2.2 65.7 118 329 A T E > - C 0 124A 1 -9,-1.7 3,-0.7 -12,-0.6 2,-0.3 -0.864 19.4-152.9-109.5 116.1 18.5 -3.2 67.4 119 330 A L E >> S- C 0 123A 25 4,-2.4 3,-2.3 -2,-0.7 4,-1.5 -0.612 72.5 -12.2 -87.2 137.4 19.7 -1.1 70.2 120 331 A N T 34 S- 0 0 40 -2,-0.3 -1,-0.2 1,-0.3 4,-0.1 0.683 114.0 -78.5 50.0 25.4 23.3 -0.8 71.3 121 332 A G T <4 S+ 0 0 14 -3,-0.7 -1,-0.3 2,-0.2 -79,-0.2 0.444 129.5 66.3 62.0 7.4 23.9 -3.8 69.0 122 333 A E T <4 S+ 0 0 100 -3,-2.3 -78,-4.5 1,-0.2 2,-0.2 0.799 84.8 57.3-117.1 -62.5 22.5 -6.1 71.7 123 334 A M E < -aC 44 119A 18 -4,-1.5 -4,-2.4 -80,-0.3 2,-0.5 -0.511 59.2-155.7 -86.5 138.8 18.8 -5.6 72.4 124 335 A A E +aC 45 118A 2 -80,-2.6 -78,-2.0 -6,-0.2 2,-0.3 -0.955 20.0 175.9-114.3 121.2 16.0 -5.9 69.8 125 336 A V E - C 0 117A 0 -8,-1.8 -8,-1.6 -2,-0.5 2,-0.1 -0.854 25.1-121.8-126.9 156.9 12.8 -4.1 70.5 126 337 A T > - 0 0 56 -2,-0.3 4,-2.5 -10,-0.2 5,-0.4 -0.459 34.7-104.4 -89.6 170.3 9.6 -3.5 68.7 127 338 A R H > S+ 0 0 81 -12,-0.4 4,-1.9 1,-0.2 -1,-0.1 0.881 125.6 50.1 -58.5 -37.5 8.0 -0.1 67.7 128 339 A G H > S+ 0 0 34 2,-0.2 4,-1.9 1,-0.2 5,-0.3 0.891 109.0 50.3 -67.9 -41.6 5.6 -0.7 70.6 129 340 A Q H 4 S+ 0 0 6 1,-0.2 4,-0.5 2,-0.2 -2,-0.2 0.888 112.7 45.5 -68.5 -36.1 8.4 -1.5 73.1 130 341 A L H <>S+ 0 0 11 -4,-2.5 5,-1.0 2,-0.2 4,-0.4 0.847 115.3 50.3 -75.8 -32.1 10.3 1.6 72.1 131 342 A K H >X>S+ 0 0 81 -4,-1.9 3,-3.2 -5,-0.4 4,-1.4 0.963 113.3 40.1 -61.4 -78.5 7.2 3.6 72.3 132 343 A N T 3<5S+ 0 0 66 -4,-1.9 -77,-0.3 1,-0.3 -74,-0.2 0.577 104.2 74.2 -51.4 -8.0 5.9 2.6 75.7 133 344 A G T 345S- 0 0 1 -4,-0.5 -1,-0.3 -5,-0.3 -2,-0.2 0.609 126.2 -77.3 -83.0 -14.2 9.5 2.7 77.0 134 345 A G T <45S+ 0 0 15 -3,-3.2 -2,-0.2 -4,-0.4 -3,-0.2 0.653 112.1 82.0 132.7 16.3 9.6 6.4 77.0 135 346 A L T ><< + 0 0 21 -4,-1.4 3,-1.9 -5,-1.0 -4,-0.2 0.499 55.4 177.3-122.2 -19.1 10.0 7.8 73.6 136 347 A G T >>> S+ 0 0 83 1,-0.3 4,-1.7 2,-0.2 3,-1.2 0.683 119.3 68.4 -40.2 -36.4 6.3 9.3 68.8 138 349 A V H <> S+ 0 0 1 -3,-1.9 4,-3.1 1,-0.3 5,-0.3 0.918 94.3 57.7 -55.9 -45.6 10.1 9.4 68.3 139 350 A S H <> S+ 0 0 0 -3,-1.9 4,-2.0 1,-0.2 -1,-0.3 0.846 106.0 48.3 -51.0 -35.2 10.1 5.6 68.2 140 351 A D H X S+ 0 0 6 -4,-0.9 4,-2.4 -5,-0.2 3,-1.5 0.978 107.7 52.1 -68.2 -51.4 13.2 6.1 59.2 146 357 A G H >X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.3 3,-0.9 0.967 105.2 53.6 -45.0 -65.2 14.7 2.6 59.3 147 358 A M H 3< S+ 0 0 86 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.812 110.9 48.1 -56.3 -9.4 12.2 1.2 57.0 148 359 A S H << S+ 0 0 42 -3,-1.5 3,-0.4 -4,-0.6 4,-0.3 0.809 108.3 52.7 -94.7 -33.0 13.1 3.9 54.5 149 360 A L H XX S+ 0 0 14 -4,-2.4 2,-1.2 -3,-0.9 4,-1.1 0.739 84.5 84.7 -76.9 -21.0 16.7 3.5 54.8 150 361 A S T 3< S+ 0 0 65 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.1 0.262 97.1 44.6 -65.0 26.8 16.4 -0.1 54.1 151 362 A S T 34 S+ 0 0 71 -2,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.386 98.3 66.9-137.1 -23.4 16.4 1.1 50.5 152 363 A F T <4 S- 0 0 14 -3,-1.0 -2,-0.2 -4,-0.3 -3,-0.1 0.742 81.4-157.0 -73.8 -21.9 19.3 3.5 50.6 153 364 A N < - 0 0 118 -4,-1.1 -3,-0.1 1,-0.1 -4,-0.0 0.891 18.7-165.7 46.2 51.3 21.7 0.7 51.2 154 365 A L - 0 0 37 -5,-0.3 2,-0.3 4,-0.1 -1,-0.1 -0.160 6.4-141.2 -65.7 161.9 24.2 3.0 52.8 155 366 A D >> - 0 0 29 1,-0.0 4,-2.3 0, 0.0 3,-1.2 -0.810 35.7 -87.6-121.0 166.0 27.8 1.9 53.4 156 367 A D H 3> S+ 0 0 76 1,-0.3 4,-1.3 -2,-0.3 5,-0.1 0.773 130.1 48.7 -42.8 -35.7 30.3 2.6 56.2 157 368 A T H 3> S+ 0 0 15 2,-0.2 4,-2.8 3,-0.2 -1,-0.3 0.908 111.1 48.3 -71.9 -44.8 31.3 5.7 54.4 158 369 A E H <> S+ 0 0 0 -3,-1.2 4,-2.4 2,-0.2 5,-0.3 0.964 113.8 44.7 -63.8 -52.9 27.8 6.9 53.9 159 370 A V H X S+ 0 0 11 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.905 116.5 51.4 -54.9 -33.4 26.6 6.3 57.4 160 371 A A H X S+ 0 0 0 -4,-1.3 4,-1.5 -5,-0.4 -2,-0.2 0.923 109.8 44.0 -75.9 -49.3 29.9 8.0 58.5 161 372 A L H X S+ 0 0 0 -4,-2.8 4,-3.1 2,-0.2 5,-0.3 0.900 110.4 57.4 -65.3 -39.2 29.8 11.0 56.6 162 373 A L H X S+ 0 0 3 -4,-2.4 4,-3.1 -5,-0.3 5,-0.2 0.995 107.8 48.6 -45.9 -60.2 26.1 11.4 57.6 163 374 A Q H X S+ 0 0 2 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.3 0.884 109.1 54.6 -47.2 -40.3 27.3 11.3 61.2 164 375 A A H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.983 107.5 46.8 -67.5 -48.2 29.8 13.8 60.2 165 376 A V H < S+ 0 0 4 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.936 111.8 52.0 -58.2 -45.4 27.1 16.2 58.8 166 377 A L H >< S+ 0 0 0 -4,-3.1 3,-0.5 -5,-0.3 -1,-0.2 0.934 111.9 47.2 -50.6 -51.1 25.1 15.7 61.9 167 378 A L H 3< S+ 0 0 4 -4,-2.1 2,-1.3 1,-0.3 -2,-0.2 0.846 102.4 60.8 -65.1 -42.4 28.1 16.6 64.1 168 379 A M T 3< S+ 0 0 2 -4,-2.4 2,-0.6 -5,-0.2 -1,-0.3 -0.145 72.3 153.9 -85.6 52.0 29.3 19.6 62.4 169 380 A S X - 0 0 2 -2,-1.3 3,-1.3 -3,-0.5 13,-0.1 -0.641 30.0-169.0 -83.9 110.6 26.1 21.7 62.9 170 381 A S T 3 S+ 0 0 24 -2,-0.6 -1,-0.1 1,-0.2 12,-0.1 0.431 80.9 72.2 -73.2 7.0 26.5 25.4 63.0 171 382 A D T 3 + 0 0 100 2,-0.1 -1,-0.2 7,-0.0 3,-0.1 0.634 64.5 116.5 -95.2 -18.7 23.0 25.8 64.2 172 383 A R S X S- 0 0 24 -3,-1.3 3,-1.4 1,-0.1 2,-0.2 -0.265 74.7-107.6 -57.9 130.8 23.6 24.6 67.7 173 384 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.494 100.4 24.1 -63.1 134.7 22.9 27.3 70.2 174 385 A G T 3 S+ 0 0 64 1,-0.3 -85,-0.1 -2,-0.2 -2,-0.1 0.115 79.6 153.5 97.9 -18.9 25.9 28.7 71.9 175 386 A L < - 0 0 20 -3,-1.4 -1,-0.3 1,-0.1 3,-0.2 -0.130 25.3-167.9 -47.7 141.1 28.4 27.8 69.2 176 387 A A S S+ 0 0 66 1,-0.2 2,-1.7 -3,-0.1 3,-0.2 0.827 79.7 48.4 -95.4 -53.7 31.4 30.0 69.2 177 388 A C S > S+ 0 0 22 1,-0.2 4,-0.8 2,-0.1 -1,-0.2 -0.602 70.7 152.8 -92.6 80.6 33.1 29.2 66.0 178 389 A V H >> + 0 0 57 -2,-1.7 4,-2.0 -3,-0.2 3,-1.8 0.993 67.8 45.4 -69.8 -73.3 30.0 29.4 63.7 179 390 A E H 3> S+ 0 0 138 1,-0.3 4,-1.0 -3,-0.2 -1,-0.2 0.655 115.2 53.2 -51.4 -10.9 31.4 30.4 60.3 180 391 A R H 3> S+ 0 0 102 2,-0.2 4,-1.8 3,-0.1 -1,-0.3 0.777 104.6 49.5 -95.6 -27.0 34.1 27.7 60.8 181 392 A I H X S+ 0 0 10 -4,-3.3 4,-2.1 2,-0.2 3,-1.3 0.983 107.1 49.4 -61.3 -55.2 27.6 9.6 46.4 197 408 A N H >< S+ 0 0 34 -4,-2.9 3,-0.8 -185,-0.3 -2,-0.2 0.957 109.9 53.6 -47.9 -55.0 28.2 10.2 42.6 198 409 A Y H 3< S+ 0 0 109 -4,-2.6 -1,-0.3 -186,-0.3 -2,-0.2 0.745 110.3 46.0 -51.0 -32.4 31.1 7.7 42.8 199 410 A R H << S- 0 0 85 -3,-1.3 -1,-0.3 -4,-1.1 -2,-0.2 0.730 92.0-161.4 -79.7 -28.1 28.8 5.0 44.4 200 411 A K << - 0 0 155 -4,-2.1 -3,-0.1 -3,-0.8 -2,-0.1 0.923 7.5-162.0 35.9 71.5 26.2 5.8 41.8 201 412 A H - 0 0 36 -5,-0.3 2,-0.4 2,-0.1 5,-0.1 -0.104 23.9-118.2 -61.8 171.2 23.1 4.3 43.5 202 413 A H S S+ 0 0 183 2,-0.1 2,-0.3 4,-0.0 -1,-0.1 -0.432 79.0 100.9-119.1 63.7 20.2 3.6 41.4 203 414 A V S > S- 0 0 53 -2,-0.4 3,-1.3 -51,-0.0 -2,-0.1 -0.963 71.7-120.7-142.7 121.2 17.7 5.9 43.0 204 415 A T T 3 S+ 0 0 88 -2,-0.3 5,-0.1 1,-0.3 -2,-0.1 -0.287 94.6 14.1 -65.9 148.4 16.8 9.2 41.6 205 416 A H T 3>>S+ 0 0 125 3,-0.1 4,-3.2 4,-0.1 5,-0.5 0.591 76.6 159.3 60.6 16.8 17.3 12.3 43.7 206 417 A F H <>5S+ 0 0 12 -3,-1.3 4,-3.2 1,-0.2 5,-0.3 0.867 72.5 47.0 -35.0 -54.7 19.5 10.2 46.0 207 418 A W H >5S+ 0 0 43 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.959 116.4 42.5 -62.1 -48.1 21.2 13.4 47.3 208 419 A P H >5S+ 0 0 62 0, 0.0 4,-1.0 0, 0.0 -2,-0.2 0.976 117.1 48.3 -58.7 -49.5 18.0 15.3 47.8 209 420 A K H >X5S+ 0 0 69 -4,-3.2 3,-0.8 1,-0.2 4,-0.8 0.901 114.4 46.0 -58.2 -45.2 16.4 12.2 49.2 210 421 A L H >XS+ 0 0 100 -4,-2.4 4,-3.9 2,-0.3 5,-0.5 0.989 109.1 48.9 -62.6 -51.5 13.5 16.2 64.0 220 431 A I H X5S+ 0 0 5 -4,-2.6 4,-2.3 1,-0.3 -1,-0.2 0.923 110.6 52.8 -55.9 -40.8 13.8 13.1 65.9 221 432 A G H X5S+ 0 0 12 -4,-2.2 4,-1.2 -5,-0.2 -1,-0.3 0.955 112.2 44.2 -60.1 -49.8 16.6 14.8 67.7 222 433 A A H >X5S+ 0 0 55 -4,-2.9 4,-1.1 1,-0.2 3,-0.8 0.946 114.0 48.5 -64.6 -46.5 14.3 17.8 68.5 223 434 A C H >X5S+ 0 0 49 -4,-3.9 4,-2.3 1,-0.3 3,-0.8 0.891 103.9 62.1 -60.7 -35.9 11.4 15.7 69.5 224 435 A H H 3X S+ 0 0 102 -3,-1.2 4,-0.9 -4,-0.3 -2,-0.2 0.845 108.4 53.5 -86.8 -46.4 11.1 16.5 79.4 230 441 A H H < S+ 0 0 119 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.1 0.706 114.4 50.0 -57.6 -18.6 8.0 14.4 79.4 231 442 A M H < S+ 0 0 11 -4,-0.7 -2,-0.2 -5,-0.2 -1,-0.2 0.956 94.1 63.6 -86.1 -57.6 10.5 11.9 81.0 232 443 A K H < S+ 0 0 79 -4,-1.4 5,-0.2 2,-0.1 -1,-0.2 0.718 106.5 56.0 -41.1 -23.9 12.2 13.8 83.8 233 444 A V < + 0 0 84 -4,-0.9 -2,-0.1 2,-0.2 -3,-0.1 0.431 59.4 100.0 -80.7-125.4 8.7 13.9 85.1 234 445 A E S S- 0 0 60 1,-0.2 -1,-0.2 -4,-0.1 -2,-0.1 0.551 132.2 -60.5 59.0 -2.1 7.2 10.5 85.6 235 446 A C S S- 0 0 113 -3,-0.1 -1,-0.2 -4,-0.1 -2,-0.2 0.898 86.6-138.2 84.3 69.2 8.3 11.4 89.2 236 447 A P + 0 0 72 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.851 55.0 81.3 -28.5-126.6 12.0 11.7 88.2 237 448 A T + 0 0 77 -5,-0.2 0, 0.0 2,-0.0 0, 0.0 0.325 69.3 49.5 36.9-169.8 15.4 10.7 89.8 238 449 A E S S+ 0 0 80 1,-0.1 0, 0.0 2,-0.1 0, 0.0 0.233 95.2 46.4 39.7-166.1 17.0 7.2 89.8 239 450 A L S S+ 0 0 68 1,-0.1 -1,-0.1 0, 0.0 -177,-0.1 0.468 79.5 109.4 8.0 48.4 17.5 5.2 86.4 240 451 A F - 0 0 18 -8,-0.0 5,-0.2 -178,-0.0 -1,-0.1 -0.670 69.1-133.8-140.4 79.8 18.9 8.2 84.4 241 452 A P > - 0 0 22 0, 0.0 4,-1.4 0, 0.0 5,-0.2 0.129 19.1-115.4 -31.9 139.6 22.6 7.5 83.8 242 453 A P H > S+ 0 0 111 0, 0.0 4,-3.1 0, 0.0 3,-0.2 0.891 114.2 44.3 -54.2 -47.7 24.8 10.5 84.5 243 454 A L H > S+ 0 0 69 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.914 109.5 57.0 -63.7 -41.4 26.0 11.0 80.9 244 455 A F H > S+ 0 0 19 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.764 112.6 43.7 -57.7 -28.6 22.5 10.5 79.6 245 456 A L H X S+ 0 0 57 -4,-1.4 4,-1.1 -3,-0.2 -2,-0.2 0.840 112.4 49.5 -86.3 -40.3 21.7 13.4 81.8 246 457 A E H < S+ 0 0 65 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.926 106.9 57.5 -65.1 -35.6 24.7 15.5 81.0 247 458 A V H < S+ 0 0 17 -4,-3.1 -1,-0.2 1,-0.2 -3,-0.1 0.955 122.7 21.8 -57.5 -54.4 24.1 15.2 77.2 248 459 A F H < 0 0 40 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.325 360.0 360.0 -97.7 5.1 20.6 16.5 77.2 249 460 A E < 0 0 152 -4,-1.1 -1,-0.1 -3,-0.2 -2,-0.1 -0.240 360.0 360.0 65.8 360.0 20.8 18.5 80.5