==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 27-SEP-11 3TZM . COMPND 2 MOLECULE: TGF-BETA RECEPTOR TYPE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.A.OGUNJIMI,E.ZEQIRAJ,D.F.CECCARELLI,F.SICHERI . 295 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14386.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 16.9 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 . 15 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 0 1 1 0 0 2 0 1 0 0 0 0 0 1 0 1 0 0 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 . 3 2 1 0 0 1 3 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 . 2 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 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 1 200 A T 0 0 138 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 5.7 12.7 22.9 -7.9 2 201 A I > + 0 0 36 64,-0.1 3,-1.7 4,-0.0 4,-0.3 0.681 360.0 22.5-101.8 -84.9 11.3 20.4 -5.5 3 202 A A G > S+ 0 0 0 1,-0.3 3,-1.7 2,-0.2 66,-0.1 0.845 118.5 63.0 -51.9 -42.7 8.4 21.9 -3.4 4 203 A R G 3 S+ 0 0 205 1,-0.3 -1,-0.3 64,-0.2 65,-0.0 0.765 107.7 43.1 -52.8 -30.9 7.7 24.6 -6.0 5 204 A T G < S+ 0 0 64 -3,-1.7 21,-0.6 2,-0.0 2,-0.4 0.227 93.7 96.1-105.8 7.7 6.8 21.9 -8.6 6 205 A I E < -A 25 0A 2 -3,-1.7 2,-0.5 -4,-0.3 19,-0.2 -0.856 56.2-156.6-103.4 138.5 4.7 19.6 -6.4 7 206 A V E -A 24 0A 100 17,-2.0 17,-1.9 -2,-0.4 2,-0.3 -0.959 15.7-133.3-115.6 124.2 0.9 19.8 -6.2 8 207 A L E +A 23 0A 53 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.597 30.4 168.4 -76.9 136.2 -0.9 18.4 -3.1 9 208 A Q E + 0 0 72 13,-3.0 2,-0.3 1,-0.3 14,-0.2 0.699 55.7 14.4-118.0 -35.6 -3.9 16.2 -4.0 10 209 A E E -A 22 0A 88 12,-1.3 12,-2.9 0, 0.0 2,-0.4 -0.979 63.0-124.7-154.7 132.7 -5.2 14.3 -0.9 11 210 A S E +A 21 0A 68 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.666 30.7 175.2 -78.4 127.6 -4.8 14.5 2.9 12 211 A I E - 0 0 73 8,-2.7 2,-0.3 -2,-0.4 9,-0.2 0.444 46.4 -67.8-122.6 2.0 -3.6 11.1 4.0 13 212 A G E -A 20 0A 31 7,-1.0 7,-3.3 2,-0.0 -1,-0.4 -0.849 51.1 -68.3 145.0-173.0 -3.0 11.4 7.7 14 213 A K E -A 19 0A 163 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.842 26.9-150.9-113.9 147.2 -0.8 12.9 10.5 15 214 A G - 0 0 20 3,-3.0 3,-0.2 -2,-0.3 5,-0.1 -0.284 50.9 -85.0 -89.8-171.1 2.7 12.3 11.6 16 215 A R S S+ 0 0 77 1,-0.4 2,-0.3 -2,-0.1 -1,-0.0 0.951 125.8 2.3 -57.4 -50.5 3.9 12.7 15.2 17 216 A F S S+ 0 0 96 25,-0.0 -1,-0.4 22,-0.0 18,-0.1 -0.958 124.2 35.9-124.1 149.7 4.2 16.3 14.1 18 217 A G S S- 0 0 8 -2,-0.3 -3,-3.0 -3,-0.2 2,-0.4 0.020 78.0 -93.5 93.8 158.1 3.2 17.4 10.6 19 218 A E E -AB 14 34A 74 15,-2.1 15,-3.1 -5,-0.2 2,-0.4 -0.919 31.3-138.3-115.1 134.9 0.5 16.5 8.2 20 219 A V E +AB 13 33A 32 -7,-3.3 -8,-2.7 -2,-0.4 -7,-1.0 -0.802 23.8 179.9 -99.7 135.5 1.0 13.9 5.4 21 220 A W E -AB 11 32A 73 11,-2.8 11,-2.6 -2,-0.4 2,-0.6 -0.927 31.5-124.1-128.9 151.9 -0.3 14.4 1.9 22 221 A R E +AB 10 31A 51 -12,-2.9 -13,-3.0 -2,-0.3 -12,-1.3 -0.890 44.4 176.1 -89.9 121.9 -0.3 12.6 -1.4 23 222 A G E -AB 8 30A 0 7,-3.3 7,-2.4 -2,-0.6 2,-0.4 -0.737 29.2-122.8-122.9 174.5 1.3 15.0 -4.0 24 223 A K E -AB 7 29A 63 -17,-1.9 -17,-2.0 -2,-0.2 2,-0.4 -0.985 23.1-177.9-122.7 126.8 2.3 14.9 -7.6 25 224 A W E > S-AB 6 28A 30 3,-3.0 3,-2.1 -2,-0.4 -19,-0.1 -0.981 77.0 -21.3-129.6 117.3 5.9 15.6 -8.7 26 225 A R T 3 S- 0 0 170 -21,-0.6 -1,-0.1 -2,-0.4 3,-0.1 0.908 130.0 -50.6 42.8 49.1 6.7 15.6 -12.4 27 226 A G T 3 S+ 0 0 63 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.314 118.5 112.6 79.1 -4.3 3.6 13.5 -12.9 28 227 A E E < S-B 25 0A 120 -3,-2.1 -3,-3.0 1,-0.0 2,-0.3 -0.731 71.4-112.1-102.6 145.1 4.5 11.0 -10.2 29 228 A E E +B 24 0A 67 -2,-0.3 54,-0.6 -5,-0.2 2,-0.3 -0.575 42.1 171.4 -72.7 135.8 2.9 10.3 -6.8 30 229 A V E -BC 23 82A 3 -7,-2.4 -7,-3.3 -2,-0.3 2,-0.4 -0.950 31.8-120.1-134.4 159.2 5.0 11.3 -3.8 31 230 A A E -BC 22 81A 14 50,-2.5 50,-2.8 -2,-0.3 2,-0.4 -0.866 26.6-164.9 -99.0 136.5 4.3 11.6 -0.1 32 231 A V E -BC 21 80A 0 -11,-2.6 -11,-2.8 -2,-0.4 2,-0.6 -0.988 8.0-162.7-123.0 124.1 4.7 15.0 1.5 33 232 A K E -BC 20 79A 28 46,-3.2 46,-2.1 -2,-0.4 2,-0.5 -0.943 15.7-159.3-106.1 123.2 5.0 15.7 5.2 34 233 A I E -BC 19 78A 17 -15,-3.1 -15,-2.1 -2,-0.6 2,-0.3 -0.889 10.1-175.9-112.6 128.7 4.3 19.3 6.1 35 234 A F E - C 0 77A 2 42,-3.0 42,-2.6 -2,-0.5 2,-0.1 -0.854 22.6-121.3-117.2 152.9 5.4 21.0 9.3 36 235 A S > - 0 0 41 -2,-0.3 3,-1.9 40,-0.2 7,-0.2 -0.414 36.2 -98.2 -85.1 169.4 4.7 24.6 10.5 37 236 A S G > S+ 0 0 89 38,-0.5 3,-1.1 1,-0.3 -1,-0.1 0.812 123.3 56.9 -56.4 -34.4 7.4 27.1 11.4 38 237 A R G 3 S+ 0 0 211 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.513 101.3 58.1 -80.1 -2.4 7.2 26.3 15.1 39 238 A E G <> + 0 0 51 -3,-1.9 4,-2.2 1,-0.1 3,-0.3 0.039 69.1 120.1-107.9 22.9 7.9 22.6 14.4 40 239 A E H <> + 0 0 80 -3,-1.1 4,-2.9 1,-0.2 5,-0.2 0.847 69.2 55.2 -61.8 -38.4 11.2 23.4 12.7 41 240 A R H > S+ 0 0 199 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 110.8 45.7 -62.4 -38.7 13.3 21.4 15.2 42 241 A S H > S+ 0 0 21 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.917 115.7 45.7 -67.1 -46.7 11.2 18.3 14.5 43 242 A W H X S+ 0 0 27 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.931 114.0 48.8 -62.7 -45.3 11.4 18.8 10.7 44 243 A F H X S+ 0 0 107 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.911 109.9 50.8 -66.1 -42.5 15.1 19.5 10.7 45 244 A R H X S+ 0 0 28 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.917 112.0 46.7 -64.0 -41.3 15.9 16.5 12.8 46 245 A E H X S+ 0 0 6 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.935 112.6 50.4 -66.0 -42.1 14.0 14.1 10.6 47 246 A A H X S+ 0 0 4 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.918 110.1 52.0 -56.3 -43.8 15.6 15.8 7.5 48 247 A E H < S+ 0 0 65 -4,-2.7 3,-0.4 2,-0.2 -2,-0.2 0.930 109.6 47.2 -62.7 -45.3 19.0 15.3 9.1 49 248 A I H >< S+ 0 0 0 -4,-2.4 3,-1.8 1,-0.2 -1,-0.2 0.940 111.4 50.7 -63.4 -45.3 18.4 11.5 9.8 50 249 A Y H 3< S+ 0 0 17 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.738 106.5 56.3 -65.3 -21.9 17.2 10.9 6.3 51 250 A Q T 3< S+ 0 0 123 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.362 76.7 133.2 -91.2 5.8 20.2 12.6 4.8 52 251 A T X - 0 0 10 -3,-1.8 3,-1.8 -4,-0.2 4,-0.3 -0.279 69.3 -98.8 -54.3 132.7 22.6 10.3 6.7 53 252 A V T 3 S+ 0 0 65 1,-0.3 -1,-0.1 73,-0.2 -2,-0.0 -0.307 103.2 5.6 -59.9 138.4 25.3 9.1 4.4 54 253 A M T 3 S+ 0 0 103 73,-0.1 -1,-0.3 -3,-0.1 73,-0.1 0.626 89.2 129.2 65.0 21.1 24.7 5.6 2.9 55 254 A L < + 0 0 6 -3,-1.8 -2,-0.1 -5,-0.1 -1,-0.1 0.843 34.3 109.0 -70.8 -33.8 21.2 5.4 4.5 56 255 A R + 0 0 176 -4,-0.3 2,-0.3 -6,-0.1 5,-0.1 -0.132 38.5 149.2 -56.0 136.2 19.3 4.4 1.4 57 256 A H > - 0 0 51 3,-0.4 3,-2.0 1,-0.0 56,-0.0 -0.965 58.5-108.8-164.1 149.1 18.1 0.8 1.4 58 257 A E T 3 S+ 0 0 140 -2,-0.3 4,-0.1 1,-0.3 55,-0.1 0.763 119.1 48.7 -60.7 -22.0 15.1 -1.0 -0.1 59 258 A N T 3 S+ 0 0 5 90,-0.1 91,-2.4 53,-0.1 2,-0.4 0.141 97.7 77.3-108.1 20.2 13.6 -1.4 3.3 60 259 A I B < S-e 150 0B 6 -3,-2.0 -3,-0.4 89,-0.3 91,-0.2 -0.991 98.5 -95.4-121.1 135.8 14.0 2.2 4.5 61 260 A L - 0 0 16 89,-2.8 2,-0.5 -2,-0.4 -2,-0.1 -0.263 44.8-113.3 -51.7 129.4 11.5 4.8 3.1 62 261 A G - 0 0 8 -4,-0.1 20,-2.5 -6,-0.1 2,-0.4 -0.546 30.7-148.4 -73.7 115.0 13.0 6.5 0.1 63 262 A F E +D 81 0A 28 -2,-0.5 18,-0.3 18,-0.2 3,-0.1 -0.707 21.0 176.4 -89.1 135.1 13.7 10.1 0.9 64 263 A I E - 0 0 47 16,-2.9 2,-0.3 -2,-0.4 17,-0.2 0.867 54.5 -37.8-101.4 -54.8 13.5 12.7 -1.9 65 264 A A E -D 80 0A 14 15,-1.5 15,-2.9 2,-0.0 2,-0.4 -0.989 32.6-130.1-167.5 153.9 14.1 16.1 -0.3 66 265 A A E +D 79 0A 30 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.916 46.0 156.1-101.0 145.0 13.6 18.5 2.5 67 266 A D E -D 78 0A 48 11,-2.2 11,-2.9 -2,-0.4 2,-0.4 -0.953 38.0-121.8-156.5 170.6 12.4 21.9 1.4 68 267 A N E -D 77 0A 84 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.923 18.4-168.2-113.8 151.2 10.6 25.1 2.3 69 268 A K E -D 76 0A 58 7,-2.4 7,-2.9 -2,-0.4 2,-0.6 -0.946 5.2-161.1-139.1 119.9 7.5 26.5 0.5 70 269 A D E -D 75 0A 110 -2,-0.4 5,-0.2 5,-0.2 -2,-0.0 -0.889 3.3-170.6 -98.9 119.6 6.2 30.0 1.2 71 270 A N - 0 0 80 3,-2.1 -1,-0.1 -2,-0.6 4,-0.1 0.480 57.6 -92.8 -88.7 -0.9 2.6 30.4 0.1 72 271 A G S S+ 0 0 67 2,-0.3 3,-0.1 0, 0.0 -2,-0.1 0.157 120.7 45.7 108.8 -15.3 2.6 34.2 0.6 73 272 A T S S+ 0 0 122 1,-0.5 2,-0.3 0, 0.0 -3,-0.0 0.665 119.8 5.3-120.9 -48.8 1.4 34.2 4.2 74 273 A W - 0 0 145 -5,-0.1 -3,-2.1 -38,-0.0 -1,-0.5 -0.923 69.4-112.8-138.3 164.0 3.4 31.5 6.0 75 274 A T E - D 0 70A 51 -2,-0.3 -38,-0.5 -5,-0.2 2,-0.4 -0.823 23.9-155.0-101.1 132.0 6.2 29.2 5.4 76 275 A Q E - D 0 69A 37 -7,-2.9 -7,-2.4 -2,-0.4 2,-0.6 -0.872 8.6-143.0-101.1 140.8 5.7 25.4 5.2 77 276 A L E -CD 35 68A 10 -42,-2.6 -42,-3.0 -2,-0.4 2,-0.3 -0.940 26.4-160.6-105.1 120.8 8.6 23.0 6.0 78 277 A W E -CD 34 67A 1 -11,-2.9 -11,-2.2 -2,-0.6 2,-0.4 -0.802 24.0-170.1-111.1 142.4 8.4 19.9 3.7 79 278 A L E -CD 33 66A 7 -46,-2.1 -46,-3.2 -2,-0.3 2,-0.4 -0.998 18.7-163.0-118.0 130.5 9.7 16.4 3.7 80 279 A V E +CD 32 65A 0 -15,-2.9 -16,-2.9 -2,-0.4 -15,-1.5 -0.949 16.7 161.3-117.9 133.5 9.1 14.6 0.4 81 280 A S E -CD 31 63A 15 -50,-2.8 -50,-2.5 -2,-0.4 -18,-0.2 -0.874 44.7 -69.2-138.9 170.8 9.4 10.8 0.1 82 281 A D E -C 30 0A 54 -20,-2.5 2,-0.4 -2,-0.3 -52,-0.2 -0.270 51.3-125.0 -52.5 149.7 8.4 7.9 -2.2 83 282 A Y - 0 0 63 -54,-0.6 2,-0.5 -53,-0.1 -54,-0.1 -0.885 21.0-168.9-106.1 135.0 4.7 7.1 -2.2 84 283 A H > - 0 0 28 -2,-0.4 3,-2.1 1,-0.1 58,-0.2 -0.944 12.1-154.1-126.4 108.7 3.4 3.6 -1.3 85 284 A E T 3 S+ 0 0 164 -2,-0.5 -1,-0.1 1,-0.3 58,-0.1 0.755 91.2 60.7 -56.7 -33.6 -0.3 3.2 -2.1 86 285 A H T 3 S- 0 0 59 56,-0.6 -1,-0.3 1,-0.2 2,-0.1 0.759 91.1-162.5 -62.5 -24.3 -0.9 0.4 0.6 87 286 A G < + 0 0 19 -3,-2.1 55,-2.5 55,-0.3 -1,-0.2 -0.443 44.8 5.7 69.4-147.5 0.2 2.9 3.3 88 287 A S B > -F 141 0B 15 53,-0.2 4,-2.8 -2,-0.1 53,-0.3 -0.185 64.1-120.8 -72.1 156.9 1.2 1.5 6.7 89 288 A L H > S+ 0 0 0 51,-3.2 4,-3.1 48,-0.8 5,-0.2 0.870 117.5 59.1 -58.1 -37.8 1.6 -2.1 7.7 90 289 A F H > S+ 0 0 43 47,-1.8 4,-1.6 50,-0.4 -1,-0.2 0.948 108.7 43.1 -54.2 -50.5 -1.1 -1.3 10.3 91 290 A D H > S+ 0 0 73 46,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.934 114.7 50.6 -62.4 -46.4 -3.5 -0.4 7.5 92 291 A Y H X S+ 0 0 41 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.899 110.2 48.2 -58.1 -47.7 -2.5 -3.4 5.4 93 292 A L H < S+ 0 0 0 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.775 111.2 51.2 -69.2 -28.0 -3.0 -5.9 8.2 94 293 A N H < S+ 0 0 75 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.908 116.8 40.5 -70.5 -40.2 -6.4 -4.4 9.0 95 294 A R H < S+ 0 0 186 -4,-2.2 2,-0.3 -5,-0.2 -2,-0.2 0.831 120.2 29.2 -75.5 -35.5 -7.5 -4.7 5.4 96 295 A Y < - 0 0 102 -4,-2.4 2,-0.3 -5,-0.2 -1,-0.0 -0.839 57.9-136.9-131.0 156.7 -6.0 -8.1 4.5 97 296 A T - 0 0 61 -2,-0.3 2,-0.3 124,-0.0 118,-0.2 -0.683 33.1-140.1 -97.4 165.7 -4.9 -11.5 5.6 98 297 A V B -h 215 0C 9 116,-3.0 118,-2.8 -2,-0.3 2,-0.1 -0.896 6.0-120.2-127.7 157.7 -1.6 -12.8 4.2 99 298 A T > - 0 0 87 -2,-0.3 4,-2.7 116,-0.2 5,-0.2 -0.318 40.1-100.4 -79.4 172.2 -0.2 -16.1 3.0 100 299 A V H > S+ 0 0 46 116,-0.2 4,-2.3 2,-0.2 5,-0.2 0.938 129.5 48.1 -58.3 -45.5 2.7 -17.9 4.6 101 300 A E H > S+ 0 0 138 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.920 111.0 50.9 -58.3 -46.7 4.9 -16.5 1.9 102 301 A G H > S+ 0 0 18 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.887 109.5 50.1 -60.9 -42.8 3.3 -13.0 2.4 103 302 A M H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.934 111.2 47.9 -59.3 -49.5 4.0 -13.1 6.1 104 303 A I H X S+ 0 0 16 -4,-2.3 4,-3.2 1,-0.2 5,-0.3 0.910 110.3 53.0 -63.3 -41.2 7.7 -14.1 5.6 105 304 A K H X S+ 0 0 79 -4,-2.6 4,-2.1 1,-0.2 43,-0.4 0.921 112.2 44.7 -56.8 -47.1 8.1 -11.3 3.0 106 305 A L H X S+ 0 0 2 -4,-2.2 4,-1.9 2,-0.2 42,-0.2 0.920 118.0 43.2 -65.1 -44.7 6.7 -8.7 5.5 107 306 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.927 115.0 48.2 -68.9 -47.3 8.8 -10.0 8.4 108 307 A L H X S+ 0 0 28 -4,-3.2 4,-2.6 -5,-0.2 -2,-0.2 0.910 112.6 48.0 -59.7 -44.5 12.0 -10.5 6.5 109 308 A S H X S+ 0 0 7 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 0.915 111.7 50.3 -67.4 -38.5 11.9 -7.0 4.8 110 309 A T H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.951 112.8 46.1 -59.8 -49.4 11.2 -5.4 8.2 111 310 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 178,-0.2 0.871 111.1 53.3 -61.9 -38.4 14.1 -7.2 9.8 112 311 A S H X S+ 0 0 11 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.906 109.6 48.0 -64.4 -41.9 16.3 -6.3 6.8 113 312 A G H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.931 114.5 45.6 -62.9 -45.3 15.5 -2.6 7.2 114 313 A L H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.901 110.7 52.8 -67.5 -38.9 16.1 -2.6 10.9 115 314 A A H X S+ 0 0 6 -4,-2.8 4,-1.4 170,-0.2 -1,-0.2 0.915 111.0 48.6 -62.8 -41.4 19.4 -4.5 10.5 116 315 A H H < S+ 0 0 20 -4,-2.3 3,-0.4 2,-0.2 -2,-0.2 0.942 111.9 48.0 -61.7 -48.9 20.4 -1.9 8.0 117 316 A L H < S+ 0 0 0 -4,-2.7 13,-2.3 1,-0.2 -2,-0.2 0.949 115.2 46.4 -52.0 -49.5 19.5 0.9 10.4 118 317 A H H < S+ 0 0 11 -4,-3.1 2,-0.3 11,-0.2 -1,-0.2 0.703 95.0 95.2 -70.0 -21.9 21.3 -0.8 13.2 119 318 A M < - 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0 0 72 -2,-0.5 2,-0.2 -5,-0.2 -7,-0.2 -0.964 50.1-105.5-159.5 168.3 -6.5 -16.7 11.0 222 422 A E - 0 0 34 -9,-2.9 3,-0.1 -2,-0.3 2,-0.0 -0.668 39.6-100.8 -97.7 157.2 -6.9 -14.3 13.9 223 423 A D - 0 0 115 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 -0.352 52.0 -87.5 -65.3 155.5 -8.6 -10.9 13.8 224 424 A Y + 0 0 25 -130,-0.2 2,-0.3 -131,-0.1 -1,-0.1 -0.510 59.7 164.0 -65.0 129.0 -6.3 -7.8 13.6 225 425 A Q - 0 0 64 -2,-0.3 -12,-0.1 -15,-0.2 3,-0.1 -0.993 37.5-120.6-141.2 151.5 -5.2 -6.6 17.0 226 426 A L > - 0 0 35 -2,-0.3 3,-1.7 1,-0.1 4,-0.2 -0.538 54.0 -83.9 -72.0 150.5 -2.5 -4.3 18.4 227 427 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 -21,-0.0 -0.365 117.6 17.6 -59.2 139.2 -0.2 -6.0 20.9 228 428 A Y T >> S+ 0 0 0 -3,-0.1 3,-2.2 1,-0.1 4,-1.7 0.587 77.7 139.4 73.2 16.4 -1.7 -6.0 24.4 229 429 A Y T <4 S+ 0 0 90 -3,-1.7 -1,-0.1 1,-0.3 5,-0.0 0.794 73.7 53.2 -55.4 -28.1 -5.2 -5.3 23.1 230 430 A D T 34 S+ 0 0 63 -4,-0.2 -1,-0.3 1,-0.1 -2,-0.0 0.373 117.8 32.2 -86.6 -1.3 -6.3 -7.9 25.7 231 431 A L T <4 S+ 0 0 64 -3,-2.2 -2,-0.2 1,-0.2 -1,-0.1 0.524 111.9 41.4-138.2 -18.4 -4.6 -6.2 28.7 232 432 A V S < S- 0 0 17 -4,-1.7 -1,-0.2 1,-0.0 9,-0.0 -0.931 80.4 -95.0-136.0 159.7 -4.5 -2.4 28.4 233 433 A P - 0 0 64 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.194 47.6 -97.2 -65.7 167.1 -6.8 0.5 27.2 234 434 A S S S+ 0 0 117 1,-0.3 -5,-0.0 -5,-0.0 -2,-0.0 0.793 122.7 30.7 -57.7 -33.2 -6.6 1.9 23.6 235 435 A D S S- 0 0 146 -59,-0.0 -1,-0.3 -58,-0.0 2,-0.0 -0.712 93.6-165.6-125.7 76.7 -4.3 4.8 24.6 236 436 A P - 0 0 8 0, 0.0 -60,-0.2 0, 0.0 -59,-0.1 -0.306 12.5-130.6 -75.2 149.4 -2.4 3.3 27.5 237 437 A S > - 0 0 49 1,-0.1 4,-2.2 -61,-0.1 5,-0.2 -0.419 29.3-106.8 -83.0 166.8 -0.3 5.2 30.0 238 438 A V H > S+ 0 0 23 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.896 122.8 52.9 -57.6 -41.2 3.3 4.2 30.9 239 439 A E H > S+ 0 0 99 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.927 107.9 49.2 -63.9 -42.7 2.0 3.0 34.3 240 440 A E H > S+ 0 0 77 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.916 115.9 43.7 -62.2 -43.2 -0.7 0.8 32.7 241 441 A M H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 5,-0.4 0.906 111.9 53.7 -66.6 -43.9 2.0 -0.7 30.4 242 442 A R H X>S+ 0 0 51 -4,-3.1 4,-1.9 1,-0.2 5,-1.9 0.904 105.2 53.2 -60.9 -42.9 4.5 -1.0 33.2 243 443 A K H <>S+ 0 0 122 -4,-2.5 5,-2.4 3,-0.2 -1,-0.2 0.881 118.2 37.3 -60.7 -37.9 2.1 -3.0 35.4 244 444 A V H <5S+ 0 0 12 -4,-1.2 6,-2.4 3,-0.2 5,-0.2 0.949 126.7 31.4 -75.9 -53.0 1.5 -5.5 32.6 245 445 A V H <5S+ 0 0 1 -4,-3.1 -3,-0.2 4,-0.2 -2,-0.2 0.876 132.3 26.3 -82.3 -39.4 4.9 -5.8 30.9 246 446 A C T <5S+ 0 0 16 -4,-1.9 -3,-0.2 -5,-0.4 -4,-0.1 0.868 130.1 31.0 -93.1 -44.6 7.2 -5.3 33.9 247 447 A E T - 0 0 28 0, 0.0 3,-1.3 0, 0.0 4,-0.3 -0.186 9.3-127.0 -57.2 144.6 -2.0 -19.0 19.6 256 456 A N G > S+ 0 0 156 1,-0.2 3,-2.0 2,-0.2 4,-0.3 0.852 104.6 68.1 -61.7 -36.3 -1.9 -22.8 19.7 257 457 A R G > S+ 0 0 52 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.623 87.1 71.3 -61.2 -12.1 -2.6 -23.1 16.0 258 458 A W G X S+ 0 0 1 -3,-1.3 3,-0.9 1,-0.2 -1,-0.3 0.712 86.7 62.8 -76.7 -23.1 0.8 -21.5 15.3 259 459 A Q G < S+ 0 0 104 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.2 0.658 91.1 68.5 -75.1 -14.0 2.6 -24.7 16.5 260 460 A S G < S+ 0 0 108 -3,-0.6 2,-0.4 -4,-0.3 -1,-0.2 0.513 97.1 57.3 -82.8 -5.6 1.0 -26.6 13.6 261 461 A C S <> S- 0 0 29 -3,-0.9 4,-2.4 1,-0.1 5,-0.2 -0.994 72.1-143.2-132.9 129.2 3.0 -24.8 10.9 262 462 A E H > S+ 0 0 105 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.895 103.1 50.9 -56.6 -47.1 6.8 -24.5 10.6 263 463 A A H > S+ 0 0 9 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.916 113.5 46.1 -58.1 -42.6 6.8 -20.9 9.4 264 464 A L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.841 110.5 53.4 -71.5 -31.5 4.6 -19.9 12.3 265 465 A R H X S+ 0 0 85 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.904 109.6 48.4 -63.7 -43.0 6.8 -21.9 14.8 266 466 A V H X S+ 0 0 26 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.912 113.1 47.8 -65.1 -43.2 9.9 -20.0 13.5 267 467 A M H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.910 110.6 50.9 -63.1 -45.4 8.1 -16.7 13.9 268 468 A A H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.862 110.0 50.4 -60.5 -38.2 6.8 -17.5 17.4 269 469 A K H X S+ 0 0 105 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.907 109.0 51.2 -69.0 -41.1 10.3 -18.5 18.4 270 470 A I H X S+ 0 0 5 -4,-2.2 4,-0.6 2,-0.2 13,-0.2 0.957 109.7 51.5 -57.4 -49.1 11.6 -15.2 17.1 271 471 A M H >X S+ 0 0 0 -4,-2.7 3,-1.8 1,-0.2 4,-1.2 0.937 108.2 49.8 -53.5 -54.0 8.9 -13.3 19.1 272 472 A R H >< S+ 0 0 105 -4,-2.3 3,-0.6 1,-0.3 4,-0.4 0.887 111.0 51.0 -50.4 -42.2 9.8 -15.0 22.4 273 473 A E H 3< S+ 0 0 39 -4,-1.9 10,-1.9 1,-0.2 -1,-0.3 0.435 109.8 48.9 -83.8 -0.4 13.5 -14.1 21.8 274 474 A C H << S+ 0 0 0 -3,-1.8 -1,-0.2 -4,-0.6 -2,-0.2 0.534 107.2 58.9 -99.6 -16.8 12.7 -10.5 21.1 275 475 A W << + 0 0 10 -4,-1.2 -2,-0.2 -3,-0.6 -3,-0.1 0.420 67.8 129.5 -99.7 -2.2 10.5 -10.3 24.3 276 476 A Y - 0 0 95 -4,-0.4 6,-0.1 1,-0.1 5,-0.1 -0.269 62.7-130.8 -50.3 137.1 13.0 -11.2 27.0 277 477 A A S S+ 0 0 65 1,-0.1 2,-0.8 -96,-0.1 -95,-0.3 0.843 96.4 73.4 -59.7 -35.2 13.0 -8.7 29.8 278 478 A N S > S- 0 0 104 1,-0.2 3,-2.0 -97,-0.1 4,-0.5 -0.750 73.2-157.0 -86.0 109.6 16.8 -8.5 29.6 279 479 A G G > S+ 0 0 9 -2,-0.8 3,-1.2 1,-0.3 -1,-0.2 0.807 89.4 64.8 -52.6 -35.1 17.7 -6.6 26.4 280 480 A A G 3 S+ 0 0 59 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.699 98.9 54.5 -66.7 -18.8 21.1 -8.3 26.2 281 481 A A G < S+ 0 0 55 -3,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.605 87.3 106.0 -88.1 -15.5 19.4 -11.7 25.7 282 482 A R S < S- 0 0 16 -3,-1.2 -8,-0.2 -4,-0.5 -9,-0.1 -0.237 77.4-101.3 -67.6 152.2 17.4 -10.6 22.6 283 483 A L - 0 0 32 -10,-1.9 2,-0.2 -13,-0.2 -1,-0.1 -0.279 35.5-120.0 -58.0 153.3 18.1 -11.5 19.0 284 484 A T > - 0 0 68 1,-0.1 4,-2.2 -83,-0.0 5,-0.2 -0.652 21.1-116.1 -89.0 159.3 19.8 -9.0 16.8 285 485 A A H > S+ 0 0 3 -2,-0.2 4,-2.8 1,-0.2 -170,-0.2 0.889 117.6 56.8 -60.9 -38.3 18.1 -7.8 13.7 286 486 A L H > S+ 0 0 71 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.907 107.4 47.3 -57.5 -45.1 20.9 -9.3 11.7 287 487 A R H > S+ 0 0 123 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.893 111.9 50.2 -65.8 -40.9 20.3 -12.8 13.3 288 488 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.935 109.2 51.6 -63.5 -44.4 16.5 -12.4 12.6 289 489 A K H X S+ 0 0 71 -4,-2.8 4,-2.3 -178,-0.2 -2,-0.2 0.912 110.4 49.0 -55.4 -45.8 17.2 -11.5 9.0 290 490 A K H X S+ 0 0 97 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.923 112.1 48.4 -61.1 -46.5 19.4 -14.6 8.6 291 491 A T H X S+ 0 0 41 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.907 114.9 44.0 -63.0 -46.9 16.8 -16.9 10.1 292 492 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.831 110.2 56.2 -67.5 -32.8 13.9 -15.5 8.0 293 493 A S H < S+ 0 0 53 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.919 108.5 47.3 -64.7 -43.4 16.1 -15.6 4.9 294 494 A Q H < S+ 0 0 160 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.824 113.5 49.4 -64.5 -33.4 16.7 -19.3 5.4 295 495 A L H < 0 0 44 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.872 360.0 360.0 -71.4 -38.1 13.0 -19.7 6.0 296 496 A S < 0 0 105 -4,-2.5 -2,-0.2 -192,-0.1 -3,-0.2 0.997 360.0 360.0 -68.3 360.0 12.1 -17.8 2.8