REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 21-MAY-07 2Q07 COMPND UNCHARACTERIZED PROTEIN AF0587; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 233-527; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS DSM 4304; SOURCE 3 ORGANISM_TAXID: 224325; SOURCE 4 STRAIN: VC-16, DSM 4304, JCM 9628, NBRC 100126; SOURCE 5 ATCC: 49558; SOURCE 6 GENE: AF_0587; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PSGX3 AUTHOR R.SUGADEV,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH AUTHOR 2 CENTER FOR STRUCTURAL GENOMICS (NYSGXRC) HET MSE A 405 8 HET MSE A 443 8 HET MSE A 506 8 HET MSE A 511 8 >ARG~A 244 23.71 12.45 16.30 21.74 14.54 17.37 22.72 13.50 16.84 2 0 1000.00 -999 ? >TYR~A 245 26.25 7.18 11.63 27.10 5.25 9.79 26.67 6.22 10.71 3 0 1000.00 -999 ? >PHE~A 246 31.99 9.91 14.51 34.74 9.79 15.05 33.36 9.85 14.78 3 0 1000.00 -999 ? >PHE~A 247 29.95 9.30 19.59 31.18 11.49 20.80 30.57 10.39 20.19 3 0 1000.00 -999 ? >GLU~A 248 25.91 4.52 18.36 23.82 4.29 18.12 24.86 4.41 18.24 2 0 1000.00 -999 ? >ARG~A 249 30.06 1.70 11.53 30.33 -0.80 9.80 30.19 0.45 10.67 2 0 1000.00 -999 ? >ALA~A 250 33.43 4.06 15.36 33.92 5.46 15.76 33.68 4.76 15.56 2 0 1000.00 -999 ? >LEU~A 251 31.64 2.41 19.56 31.62 2.00 21.68 31.63 2.20 20.62 3 0 1000.00 -999 ? >GLU~A 252 30.23 -0.75 14.79 28.35 -1.40 14.01 29.29 -1.08 14.40 2 0 1000.00 -999 ? >CYH~A 253 34.90 -0.75 14.37 33.29 -0.01 12.17 34.10 -0.38 13.27 2 0 1000.00 -999 ? >TYR~A 254 38.21 1.60 19.08 40.31 2.71 20.56 39.26 2.16 19.82 3 0 1000.00 -999 ? >LYS.A 255 40.28 -2.28 17.32 37.27 -3.88 13.18 38.78 -3.08 15.25 2 0 1000.00 -999 ? >PRO.A 256 41.53 -1.07 21.20 42.60 -1.60 19.32 42.07 -1.33 20.26 3 0 1000.00 -999 ? >PHE.A 257 48.01 -0.73 18.07 48.89 1.91 18.40 48.45 0.59 18.23 3 0 1000.00 -999 ? >SER.A 258 47.96 -1.94 22.63 49.19 -0.29 23.97 48.57 -1.12 23.30 2 0 1000.00 -999 ? >ASP.A 259 47.52 -3.75 27.06 49.46 -3.22 27.72 48.49 -3.48 27.39 2 0 1000.00 -999 ? >THR^A 260 47.55 0.98 27.10 49.27 1.63 28.27 48.41 1.30 27.68 2 0 1000.00 -999 ? >VAL^A 261 45.73 4.06 25.81 43.62 4.62 25.88 44.67 4.34 25.85 3 0 1000.00 -999 ? >LEU^A 262 48.32 7.98 25.06 49.67 9.58 25.48 48.99 8.78 25.27 3 0 1000.00 -999 ? >LEU^A 263 43.54 10.49 27.51 42.09 8.94 27.94 42.81 9.71 27.73 3 0 1000.00 -999 ? >LEU^A 264 46.14 13.60 23.42 48.09 12.73 23.26 47.12 13.17 23.34 3 0 1000.00 -999 ? >PRO^A 265 45.86 18.17 24.74 44.23 16.69 24.50 45.04 17.43 24.62 3 0 1000.00 -999 ? >CYH.A 266 42.09 18.30 21.16 39.84 19.77 21.95 40.97 19.03 21.56 2 0 1000.00 -999 ? >THR.A 267 43.77 21.14 19.25 45.52 20.02 18.62 44.65 20.58 18.94 2 0 1000.00 -999 ? >ALA.A 268 42.77 24.12 17.11 43.38 25.51 17.23 43.07 24.82 17.17 2 0 1000.00 -999 ? >ARG.A 269 47.69 22.55 11.92 49.93 22.06 9.90 48.81 22.31 10.91 2 0 1000.00 -999 ? >LYS.A 270 43.01 19.40 12.60 37.26 20.02 15.21 40.13 19.71 13.90 2 0 1000.00 -999 ? >PRO~A 271 44.55 15.84 9.91 43.49 17.17 11.35 44.02 16.50 10.63 3 0 1000.00 -999 ? >TYR~A 272 42.85 16.05 16.75 40.17 16.67 17.30 41.51 16.36 17.02 3 0 1000.00 -999 ? >LEU~A 273 48.10 13.26 13.51 49.52 11.67 13.83 48.81 12.47 13.67 3 0 1000.00 -999 ? >THR~A 274 49.30 17.56 12.28 47.93 17.80 10.61 48.62 17.68 11.45 2 0 1000.00 -999 ? >SER~A 275 48.90 20.02 15.18 48.27 18.98 17.28 48.58 19.50 16.23 2 0 1000.00 -999 ? >ARG~A 276 53.47 25.13 16.28 52.36 27.97 16.23 52.92 26.55 16.25 2 0 1000.00 -999 ? >THR~A 277 51.14 20.19 20.17 49.83 20.72 21.81 50.49 20.45 20.99 2 0 1000.00 -999 ? >HIS~A 278 48.26 15.89 18.98 46.47 15.55 20.01 47.37 15.72 19.50 3 0 1000.00 -999 ? >ARG~A 279 53.53 18.05 13.10 53.80 21.09 13.43 53.66 19.57 13.26 2 0 1000.00 -999 ? >ALA~A 280 55.92 18.30 19.58 55.63 19.59 20.33 55.77 18.95 19.95 2 0 1000.00 -999 ? >LEU~A 281 53.30 15.29 22.32 52.51 15.24 24.31 52.90 15.26 23.32 3 0 1000.00 -999 ? >ARG~A 282 52.21 11.67 17.59 51.95 8.65 17.24 52.08 10.16 17.41 2 0 1000.00 -999 ? >SER~A 283 58.73 14.35 18.85 60.22 16.14 18.20 59.47 15.25 18.52 2 0 1000.00 -999 ? >LYS~A 284 59.87 14.11 22.47 60.30 19.43 22.63 60.09 16.77 22.55 2 0 1000.00 -999 ? >VAL~A 285 58.46 10.64 23.14 56.75 10.33 24.47 57.60 10.48 23.80 3 0 1000.00 -999 ? >LYS.A 286 57.96 7.56 20.95 60.71 3.17 17.34 59.34 5.37 19.15 2 0 1000.00 -999 ? >VAL.A 287 54.26 6.78 21.11 52.68 8.27 21.27 53.47 7.53 21.19 3 0 1000.00 -999 ? >ASN.A 288 54.73 2.08 20.92 56.29 2.37 19.51 55.51 2.23 20.21 2 0 1000.00 -999 ? >VAL.A 289 50.21 2.86 22.51 50.77 3.60 24.46 50.49 3.23 23.49 3 0 1000.00 -999 ? >ASN^A 290 45.46 2.83 21.57 45.34 1.21 20.20 45.40 2.02 20.88 2 0 1000.00 -999 ? >GLU^A 291 47.92 8.18 20.81 49.02 8.94 19.16 48.47 8.56 19.98 2 0 1000.00 -999 ? >ILE^A 292 41.30 8.31 23.08 40.11 7.54 23.39 40.70 7.92 23.24 3 0 1000.00 -999 ? >ILE^A 293 41.99 13.47 20.27 42.63 13.41 19.71 42.31 13.44 19.99 3 0 1000.00 -999 ? >ILE^A 294 39.53 14.40 25.61 39.25 14.03 26.97 39.39 14.22 26.29 3 0 1000.00 -999 ? >SER.A 295 37.20 17.05 22.59 37.00 18.33 20.54 37.10 17.69 21.56 2 0 1000.00 -999 ? >SER.A 296 33.62 18.32 22.72 32.10 19.56 24.16 32.86 18.94 23.44 2 0 1000.00 -999 ? >PRO.A 297 29.57 18.06 20.50 31.49 17.47 21.51 30.53 17.76 21.01 3 0 1000.00 -999 ? >LEU.A 298 33.89 14.57 18.62 32.64 14.06 16.92 33.27 14.32 17.77 3 0 1000.00 -999 ? >VAL^A 299 35.72 11.81 21.66 35.41 10.68 23.47 35.56 11.25 22.57 3 0 1000.00 -999 ? >VAL^A 300 38.05 10.59 18.91 38.00 11.86 17.12 38.02 11.22 18.02 3 0 1000.00 -999 ? >PRO^A 301 38.34 6.22 19.12 39.69 7.96 18.70 39.02 7.09 18.91 3 0 1000.00 -999 ? >ARG.A 302 46.85 9.53 16.48 47.00 12.38 17.61 46.93 10.96 17.05 2 0 1000.00 -999 ? >GLU~A 303 43.19 3.70 14.91 43.57 4.06 16.97 43.38 3.88 15.94 2 0 1000.00 -999 ? >PHE~A 304 37.62 6.22 14.13 37.07 3.52 14.67 37.35 4.87 14.40 3 0 1000.00 -999 ? >GLU~A 305 43.26 11.93 13.06 44.84 12.94 14.07 44.05 12.43 13.56 2 0 1000.00 -999 ? >LEU.A 306 41.49 10.88 8.46 43.59 11.45 8.53 42.54 11.16 8.49 3 0 1000.00 -999 ? >LEU.A 307 36.13 9.73 9.68 36.22 7.65 9.06 36.17 8.69 9.37 3 0 1000.00 -999 ? >HIS.A 320 31.69 27.00 30.75 29.62 26.98 31.12 30.66 26.99 30.94 3 0 1000.00 -999 ? >TRP.A 321 36.83 21.61 29.82 35.52 18.55 27.72 36.18 20.08 28.77 3 0 1000.00 -999 ? >SER~A 322 29.81 22.39 32.06 28.30 22.07 30.24 29.06 22.23 31.15 2 0 1000.00 -999 ? >GLU~A 323 27.90 19.74 36.51 28.76 17.96 37.28 28.33 18.85 36.89 2 0 1000.00 -999 ? >GLU~A 324 24.20 19.91 31.32 25.04 21.76 31.93 24.62 20.83 31.63 2 0 1000.00 -999 ? >GLU~A 325 30.93 19.80 27.29 31.59 21.72 26.69 31.26 20.76 26.99 2 0 1000.00 -999 ? >VAL~A 326 31.61 16.70 31.04 32.88 17.09 32.78 32.25 16.89 31.91 3 0 1000.00 -999 ? >SER~A 327 28.89 14.12 31.62 26.70 13.30 32.25 27.80 13.71 31.93 2 0 1000.00 -999 ? >PHE~A 328 27.45 14.15 25.54 26.97 13.16 22.96 27.21 13.65 24.25 3 0 1000.00 -999 ? >VAL~A 329 31.95 13.41 26.92 33.42 14.87 26.23 32.69 14.14 26.58 3 0 1000.00 -999 ? >ALA~A 330 32.75 11.07 29.83 32.45 11.36 31.31 32.60 11.22 30.57 2 0 1000.00 -999 ? >GLY~A 331 29.95 8.74 28.73 30.64 8.97 28.33 30.29 8.85 28.53 1 0 1000.00 -999 ? >TRP~A 332 28.98 10.21 23.62 27.88 6.81 21.96 28.43 8.51 22.79 3 0 1000.00 -999 ? >LEU~A 333 35.77 9.28 27.24 37.94 9.35 27.54 36.85 9.31 27.39 3 0 1000.00 -999 ? >LYS~A 334 34.22 5.41 28.80 30.09 3.75 32.97 32.16 4.58 30.88 2 0 1000.00 -999 ? >ARG~A 335 29.15 4.26 24.91 26.11 4.50 25.00 27.63 4.38 24.95 2 0 1000.00 -999 ? >PHE~A 336 35.76 5.24 22.00 34.46 6.10 19.68 35.11 5.67 20.84 3 0 1000.00 -999 ? >ILE~A 337 38.16 3.47 28.21 38.88 4.15 29.27 38.52 3.81 28.74 3 0 1000.00 -999 ? >GLU~A 338 34.74 0.39 29.93 33.01 0.30 31.17 33.88 0.34 30.55 2 0 1000.00 -999 ? >LYS~A 339 35.48 -1.44 24.18 34.47 -2.69 18.99 34.98 -2.07 21.58 2 0 1000.00 -999 ? >GLY~A 340 39.25 -1.23 23.76 38.86 -1.59 24.39 39.05 -1.41 24.08 1 0 1000.00 -999 ? >GLY~A 341 39.72 -3.39 26.85 40.17 -2.76 26.62 39.95 -3.07 26.73 1 0 1000.00 -999 ? >PHE.A 342 42.72 0.58 26.35 42.32 1.44 23.71 42.52 1.01 25.03 3 0 1000.00 -999 ? >ARG.A 343 48.04 -3.93 31.25 50.44 -2.06 31.60 49.24 -2.99 31.43 2 0 1000.00 -999 ? >LYS^A 344 45.83 1.16 31.67 50.94 2.58 32.97 48.39 1.87 32.32 2 0 1000.00 -999 ? >VAL^A 345 44.72 4.68 30.75 42.60 5.27 30.56 43.66 4.97 30.65 3 0 1000.00 -999 ? >VAL^A 346 47.37 7.43 30.69 49.50 7.20 30.37 48.43 7.31 30.53 3 0 1000.00 -999 ? >ALA^A 347 45.59 10.78 30.91 44.54 11.08 31.97 45.07 10.93 31.44 2 0 1000.00 -999 ? >HIS.A 348 50.25 13.84 28.49 52.02 14.90 28.89 51.14 14.37 28.69 3 0 1000.00 -999 ? >VAL.A 349 45.62 16.29 29.82 43.94 15.08 29.19 44.78 15.68 29.50 3 0 1000.00 -999 ? >THR.A 350 44.93 19.14 32.22 46.71 20.27 31.73 45.82 19.71 31.98 2 0 1000.00 -999 ? >GLY~A 351 42.12 21.26 33.64 42.09 20.51 33.39 42.11 20.88 33.51 1 0 1000.00 -999 ? >GLY~A 352 38.63 20.60 32.33 39.30 20.19 32.25 38.96 20.40 32.29 1 0 1000.00 -999 ? >TYR~A 353 40.92 18.23 28.31 40.63 19.71 25.96 40.78 18.97 27.13 3 0 1000.00 -999 ? >ARG~A 354 44.42 16.46 35.50 45.16 15.27 38.23 44.79 15.86 36.86 2 0 1000.00 -999 ? >LYS~A 355 37.49 16.36 35.07 35.52 21.98 37.25 36.50 19.17 36.16 2 0 1000.00 -999 ? >VAL~A 356 36.19 14.32 32.14 35.85 14.62 29.99 36.02 14.47 31.07 3 0 1000.00 -999 ? >VAL~A 357 38.73 11.55 32.80 40.76 11.26 32.06 39.74 11.40 32.43 3 0 1000.00 -999 ? >GLU~A 358 39.63 13.32 37.83 39.79 15.25 38.65 39.71 14.28 38.24 2 0 1000.00 -999 ? >ARG~A 359 32.18 12.88 36.61 29.70 14.41 35.63 30.94 13.64 36.12 2 0 1000.00 -999 ? >VAL~A 360 35.48 7.75 33.91 35.76 7.50 31.77 35.62 7.62 32.84 3 0 1000.00 -999 ? >GLU~A 361 40.24 6.76 37.83 41.46 8.04 39.01 40.85 7.40 38.42 2 0 1000.00 -999 ? >ASP~A 362 34.89 6.68 39.69 36.03 8.23 40.60 35.46 7.46 40.14 2 0 1000.00 -999 ? >GLU.A 363 32.11 5.44 36.31 30.54 6.30 35.19 31.33 5.87 35.75 2 0 1000.00 -999 ? >VAL.A 364 36.41 1.47 34.66 37.28 2.99 33.38 36.85 2.23 34.02 3 0 1000.00 -999 ? >GLU.A 365 37.03 -3.50 35.38 37.04 -5.59 35.00 37.04 -4.55 35.19 2 0 1000.00 -999 ? >ALA.A 366 41.65 -0.01 34.05 41.67 0.69 32.68 41.66 0.34 33.37 2 0 1000.00 -999 ? >GLU^A 367 45.97 -0.23 36.07 47.95 -0.86 36.47 46.96 -0.54 36.27 2 0 1000.00 -999 ? >VAL^A 368 44.22 5.47 35.40 42.30 6.37 34.86 43.26 5.92 35.13 3 0 1000.00 -999 ? >VAL^A 369 47.36 7.56 35.78 48.83 6.08 35.13 48.09 6.82 35.45 3 0 1000.00 -999 ? >TYR^A 370 45.48 11.86 36.32 42.84 10.96 36.46 44.16 11.41 36.39 3 0 1000.00 -999 ? >THR.A 371 50.97 12.58 33.74 51.18 11.07 32.19 51.08 11.82 32.97 2 0 1000.00 -999 ? >ALA.A 372 50.33 16.27 33.16 49.77 16.57 31.78 50.05 16.42 32.47 2 0 1000.00 -999 ? >GLU.A 373 52.04 18.98 37.15 52.69 18.73 39.15 52.36 18.85 38.15 2 0 1000.00 -999 ? >LYS.A 374 49.81 22.66 34.08 52.94 25.28 38.96 51.37 23.97 36.52 2 0 1000.00 -999 ? >ASP.A 375 52.90 22.71 30.69 53.25 23.46 28.75 53.07 23.08 29.72 2 0 1000.00 -999 ? >VAL.A 376 51.34 18.80 28.63 49.51 18.95 27.43 50.42 18.87 28.03 3 0 1000.00 -999 ? >LEU.A 377 54.56 20.74 25.79 53.28 20.34 24.09 53.92 20.54 24.94 3 0 1000.00 -999 ? >SER~A 378 56.83 20.56 30.05 55.73 19.89 32.12 56.28 20.22 31.08 2 0 1000.00 -999 ? >ASP~A 379 61.40 19.17 31.07 62.12 20.58 29.68 61.76 19.87 30.37 2 0 1000.00 -999 ? >GLU~A 380 57.41 17.33 36.17 56.90 18.61 37.78 57.15 17.97 36.98 2 0 1000.00 -999 ? >SER~A 381 55.26 16.15 32.00 53.45 17.75 32.28 54.36 16.95 32.14 2 0 1000.00 -999 ? >ILE~A 382 58.08 15.05 28.10 58.79 16.11 27.48 58.43 15.58 27.79 3 0 1000.00 -999 ? >GLU~A 383 61.61 13.71 32.25 62.63 12.25 31.10 62.12 12.98 31.67 2 0 1000.00 -999 ? >ARG~A 384 54.25 13.31 36.38 55.02 15.63 38.22 54.64 14.47 37.30 2 0 1000.00 -999 ? >LEU~A 385 54.42 11.29 29.14 52.88 10.77 27.70 53.65 11.03 28.42 3 0 1000.00 -999 ? >LYS~A 386 57.81 8.43 29.23 62.51 11.91 26.85 60.16 10.17 28.04 2 0 1000.00 -999 ? >GLN~A 387 59.63 7.49 33.99 60.27 8.67 35.64 59.95 8.08 34.82 2 0 1000.00 -999 ? >GLU~A 388 52.88 6.93 33.42 52.83 5.52 34.99 52.86 6.22 34.21 2 0 1000.00 -999 ? >ILE~A 389 53.50 5.37 27.19 52.94 6.63 26.79 53.22 6.00 26.99 3 0 1000.00 -999 ? >GLU~A 390 60.50 3.92 27.79 60.77 5.98 27.33 60.63 4.95 27.56 2 0 1000.00 -999 ? >SER.A 391 57.96 0.84 24.76 56.78 1.81 22.90 57.37 1.33 23.83 2 0 1000.00 -999 ? >LYS.A 392 60.46 -1.41 22.97 60.55 -2.80 27.59 60.51 -2.11 25.28 2 0 1000.00 -999 ? >GLY.A 393 59.83 -1.17 19.21 59.36 -0.74 19.62 59.60 -0.96 19.41 1 0 1000.00 -999 ? >LYS.A 394 57.51 0.70 16.86 61.38 -0.49 13.39 59.44 0.11 15.13 2 0 1000.00 -999 ? >VAL.A 395 54.00 0.70 15.38 52.31 0.45 16.75 53.16 0.58 16.06 3 0 1000.00 -999 ? >ASP~A 396 52.86 0.80 10.71 51.50 -0.79 10.63 52.18 0.00 10.67 2 0 1000.00 -999 ? >LEU~A 397 50.19 5.40 13.69 48.74 6.55 14.81 49.47 5.97 14.25 3 0 1000.00 -999 ? >TYR~A 398 50.89 6.88 8.58 52.06 9.38 9.09 51.47 8.13 8.83 3 0 1000.00 -999 ? >ARG~A 399 49.40 -2.12 7.95 51.74 -2.63 6.05 50.57 -2.37 7.00 2 0 1000.00 -999 ? >ARG~A 400 47.76 -0.43 13.49 49.63 -2.53 14.69 48.69 -1.48 14.09 2 0 1000.00 -999 ? >ILE~A 401 44.92 5.90 10.15 45.12 7.32 10.40 45.02 6.61 10.28 3 0 1000.00 -999 ? >LEU~A 402 44.65 3.17 5.77 45.49 4.64 4.40 45.07 3.90 5.08 3 0 1000.00 -999 ? >GLU~A 403 44.46 -1.48 8.18 45.53 -2.89 9.33 44.99 -2.19 8.76 2 0 1000.00 -999 ? >HIS~A 404 40.66 1.66 12.88 41.25 0.39 14.45 40.96 1.03 13.66 3 0 1000.00 -999 ? >MET?A 405 38.52 3.92 7.76 40.79 7.41 6.89 39.66 5.66 7.32 2 0 1000.00 -999 ? >LEU~A 406 38.90 -0.04 5.00 39.79 -0.04 3.04 39.35 -0.04 4.02 3 0 1000.00 -999 ? >SER~A 407 36.18 -0.84 8.39 36.12 -1.93 10.58 36.15 -1.38 9.49 2 0 1000.00 -999 ? >TYR~A 408 33.82 4.71 9.98 31.99 6.66 10.79 32.90 5.68 10.38 3 0 1000.00 -999 ? >GLN~A 409 34.17 5.03 5.15 35.60 5.92 3.86 34.89 5.47 4.51 2 0 1000.00 -999 ? >PHE~A 410 33.69 0.31 2.26 34.10 2.60 0.69 33.89 1.45 1.48 3 0 1000.00 -999 ? >GLY~A 411 33.02 -3.07 7.22 33.50 -3.01 6.54 33.26 -3.04 6.88 1 0 1000.00 -999 ? >ILE.A 412 35.94 -4.87 3.97 35.50 -4.43 2.63 35.72 -4.65 3.30 3 0 1000.00 -999 ? >THR.A 413 39.81 -4.44 5.61 41.23 -5.41 6.91 40.52 -4.92 6.26 2 0 1000.00 -999 ? >TRP.A 414 40.08 -5.00 0.84 42.07 -5.87 -2.42 41.08 -5.43 -0.79 3 0 1000.00 -999 ? >SER.A 415 46.35 -5.00 2.74 46.75 -7.02 1.48 46.55 -6.01 2.11 2 0 1000.00 -999 ? >GLY.A 416 48.83 -2.96 0.74 49.04 -2.90 1.53 48.94 -2.93 1.14 1 0 1000.00 -999 ? >LYS^A 417 51.60 -0.38 0.77 56.03 -0.64 -3.04 53.82 -0.51 -1.13 2 0 1000.00 -999 ? >VAL^A 418 50.86 2.80 2.72 50.20 2.91 4.79 50.53 2.86 3.75 3 0 1000.00 -999 ? >ALA^A 419 52.01 5.98 0.96 52.25 5.67 -0.52 52.13 5.82 0.22 2 0 1000.00 -999 ? >GLY.A 420 51.67 9.74 0.69 52.11 9.42 1.28 51.89 9.58 0.99 1 0 1000.00 -999 ? >ARG.A 421 53.05 15.76 1.03 55.33 16.08 -1.01 54.19 15.92 0.01 2 0 1000.00 -999 ? >TYR.A 422 49.05 12.20 8.48 46.83 11.86 10.16 47.94 12.03 9.32 3 0 1000.00 -999 ? >PRO.A 423 45.97 15.54 6.05 47.45 13.87 6.03 46.71 14.70 6.04 3 0 1000.00 -999 ? >GLU.A 424 46.84 14.94 1.47 47.41 16.22 -0.12 47.13 15.58 0.68 2 0 1000.00 -999 ? >LEU.A 425 47.26 8.10 4.13 48.38 8.26 5.97 47.82 8.18 5.05 3 0 1000.00 -999 ? >GLU^A 426 47.49 7.93 -1.62 48.07 8.22 -3.62 47.78 8.08 -2.62 2 0 1000.00 -999 ? >LEU^A 427 45.89 1.64 0.76 46.03 -0.16 1.96 45.96 0.74 1.36 3 0 1000.00 -999 ? >LEU^A 428 49.97 1.57 -3.48 50.21 3.67 -3.96 50.09 2.62 -3.72 3 0 1000.00 -999 ? >GLU^A 429 47.74 -4.91 -4.80 46.17 -6.18 -4.12 46.96 -5.55 -4.46 2 0 1000.00 -999 ? >GLY.A 430 51.15 -3.40 -7.42 51.12 -2.66 -6.89 51.14 -3.03 -7.15 1 0 1000.00 -999 ? >LYS.A 431 51.55 0.00 -9.03 56.76 -1.25 -12.38 54.16 -0.63 -10.71 2 0 1000.00 -999 ? >LYS^A 432 47.94 1.10 -8.65 46.02 2.70 -13.02 46.98 1.90 -10.83 2 0 1000.00 -999 ? >ARG^A 433 45.69 6.11 -7.22 46.19 9.09 -6.76 45.94 7.60 -6.99 2 0 1000.00 -999 ? >LEU^A 434 43.93 -0.27 -2.79 44.86 -2.18 -3.21 44.40 -1.23 -3.00 3 0 1000.00 -999 ? >ALA^A 435 42.23 3.73 -1.81 41.64 3.11 -0.53 41.94 3.42 -1.17 2 0 1000.00 -999 ? >ARG^A 436 43.36 9.84 -3.62 41.17 11.95 -3.28 42.27 10.89 -3.45 2 0 1000.00 -999 ? >VAL^A 437 42.10 9.84 1.81 42.80 10.19 3.85 42.45 10.01 2.83 3 0 1000.00 -999 ? >ASP^A 438 38.51 12.17 -0.32 37.63 13.77 -1.42 38.07 12.97 -0.87 2 0 1000.00 -999 ? >ARG.A 439 43.35 18.01 1.20 45.17 19.87 -0.43 44.26 18.94 0.38 2 0 1000.00 -999 ? >ILE.A 440 37.15 17.44 -0.55 36.99 18.29 -1.75 37.07 17.86 -1.15 3 0 1000.00 -999 ? >TYR.A 441 33.60 14.46 -0.23 32.45 15.81 -2.40 33.03 15.13 -1.31 3 0 1000.00 -999 ? >GLY.A 442 36.75 13.43 4.97 36.37 13.02 4.36 36.56 13.23 4.66 1 0 1000.00 -999 ? >MET?A 443 36.52 9.78 3.92 32.86 9.93 1.67 34.69 9.86 2.79 2 0 1000.00 -999 ? >LEU.A 444 38.53 5.70 2.31 40.32 4.88 3.17 39.42 5.29 2.74 3 0 1000.00 -999 ? >ASP.A 445 38.51 8.14 -2.87 37.49 8.23 -4.72 38.00 8.19 -3.79 2 0 1000.00 -999 ? >ILE.A 446 37.28 2.43 -2.78 36.10 1.98 -2.12 36.69 2.21 -2.45 3 0 1000.00 -999 ? >TYR~A 447 41.04 3.90 -6.78 41.38 6.61 -6.09 41.21 5.26 -6.43 3 0 1000.00 -999 ? >GLU~A 448 38.73 -2.15 -11.11 39.80 -2.87 -12.80 39.26 -2.51 -11.96 2 0 1000.00 -999 ? >LYS~A 449 39.93 -3.94 -6.73 42.79 0.24 -7.69 41.36 -1.85 -7.21 2 0 1000.00 -999 ? >ILE~A 450 38.31 -1.64 -2.72 38.67 -1.17 -1.34 38.49 -1.40 -2.03 3 0 1000.00 -999 ? >ALA~A 451 34.87 -1.81 -5.51 34.83 -0.76 -6.63 34.85 -1.29 -6.07 2 0 1000.00 -999 ? >ALA~A 452 35.14 -5.20 -7.26 36.39 -5.69 -8.00 35.76 -5.44 -7.63 2 0 1000.00 -999 ? >TYR~A 453 36.13 -7.56 -1.58 35.66 -9.13 0.68 35.89 -8.34 -0.45 3 0 1000.00 -999 ? >LEU~A 454 32.20 -3.47 -2.37 32.95 -2.25 -0.74 32.58 -2.86 -1.56 3 0 1000.00 -999 ? >LEU~A 455 30.83 -5.48 -7.17 29.53 -5.14 -8.86 30.18 -5.31 -8.02 3 0 1000.00 -999 ? >GLU~A 456 33.33 -10.41 -6.26 35.32 -10.95 -5.79 34.33 -10.68 -6.03 2 0 1000.00 -999 ? >LYS~A 457 29.93 -9.56 -1.66 33.38 -13.40 -0.91 31.66 -11.48 -1.29 2 0 1000.00 -999 ? >ASN.A 458 25.82 -8.56 -3.11 24.58 -8.10 -4.78 25.20 -8.33 -3.94 2 0 1000.00 -999 ? >ILE.A 459 28.21 -5.18 1.00 29.15 -6.02 1.72 28.68 -5.60 1.36 3 0 1000.00 -999 ? >TYR.A 460 28.45 -0.41 1.25 28.60 -0.28 4.04 28.52 -0.35 2.64 3 0 1000.00 -999 ? >THR^A 461 25.99 -1.99 -4.27 26.55 -4.08 -4.30 26.27 -3.04 -4.29 2 0 1000.00 -999 ? >VAL^A 462 23.35 -0.54 -6.55 23.88 1.58 -6.32 23.61 0.52 -6.44 3 0 1000.00 -999 ? >GLU^A 463 21.14 -3.97 -11.22 19.85 -5.64 -11.26 20.50 -4.81 -11.24 2 0 1000.00 -999 ? >ILE^A 464 22.42 1.53 -12.69 23.73 2.09 -12.57 23.07 1.81 -12.63 3 0 1000.00 -999 ? >GLY.A 465 19.89 0.45 -16.04 20.69 0.58 -15.85 20.29 0.51 -15.94 1 0 1000.00 -999 ? >ASP.A 466 21.47 -1.39 -20.18 22.32 -3.22 -19.58 21.90 -2.30 -19.88 2 0 1000.00 -999 ? >PHE.A 467 21.64 4.49 -18.06 21.55 4.54 -15.26 21.59 4.51 -16.66 3 0 1000.00 -999 ? >GLU.A 468 25.99 5.38 -23.25 27.30 3.79 -23.72 26.65 4.59 -23.49 2 0 1000.00 -999 ? >VAL.A 469 26.95 6.60 -17.25 27.13 5.66 -15.29 27.04 6.13 -16.27 3 0 1000.00 -999 ? >LYS.A 470 28.03 10.26 -17.23 28.77 10.86 -23.49 28.40 10.56 -20.36 2 0 1000.00 -999 ? >GLY.A 471 28.41 12.23 -14.01 27.95 11.62 -14.06 28.18 11.93 -14.03 1 0 1000.00 -999 ? >THR^A 472 24.93 11.58 -12.60 23.77 13.28 -11.89 24.35 12.43 -12.24 2 0 1000.00 -999 ? >ILE^A 473 23.22 7.33 -11.49 23.68 5.97 -11.64 23.45 6.65 -11.57 3 0 1000.00 -999 ? >PHE^A 474 18.57 11.62 -12.65 19.59 14.06 -13.60 19.08 12.84 -13.13 3 0 1000.00 -999 ? >ALA.A 475 16.72 7.46 -9.01 15.72 8.00 -8.01 16.22 7.73 -8.51 2 0 1000.00 -999 ? >GLY.A 476 14.75 6.35 -12.06 15.54 6.24 -11.91 15.15 6.30 -11.98 1 0 1000.00 -999 ? >GLY.A 477 17.89 4.69 -13.42 17.67 4.57 -12.64 17.78 4.63 -13.03 1 0 1000.00 -999 ? >VAL^A 478 18.36 2.55 -10.31 19.15 3.20 -8.39 18.75 2.88 -9.35 3 0 1000.00 -999 ? >LEU^A 479 17.59 -2.12 -11.34 17.49 -2.40 -13.48 17.54 -2.26 -12.41 3 0 1000.00 -999 ? >ARG^A 480 17.15 -6.05 -7.55 16.19 -8.82 -8.46 16.67 -7.43 -8.00 2 0 1000.00 -999 ? >ALA^A 481 19.93 -0.88 -4.17 19.69 0.63 -4.09 19.81 -0.12 -4.13 2 0 1000.00 -999 ? >ASP.A 482 22.88 -1.98 -0.47 23.30 -3.02 1.34 23.09 -2.50 0.43 2 0 1000.00 -999 ? >GLU.A 483 16.76 -2.34 1.44 17.30 -4.20 0.58 17.03 -3.27 1.01 2 0 1000.00 -999 ? >LYS.A 484 21.74 -0.25 4.21 19.63 -5.12 4.91 20.68 -2.69 4.56 2 0 1000.00 -999 ? >ILE.A 485 22.89 2.55 0.36 23.52 2.68 -0.96 23.20 2.62 -0.30 3 0 1000.00 -999 ? >ARG.A 486 22.80 5.70 7.28 21.23 5.58 9.91 22.02 5.64 8.60 2 0 1000.00 -999 ? >PRO.A 487 21.39 10.10 2.97 22.99 8.82 2.12 22.19 9.46 2.54 3 0 1000.00 -999 ? >ASN.A 488 27.54 11.44 2.69 29.01 12.62 1.67 28.27 12.03 2.18 2 0 1000.00 -999 ? >ASP.A 489 27.13 5.53 1.85 26.96 5.23 3.92 27.04 5.38 2.88 2 0 1000.00 -999 ? >VAL^A 490 30.43 5.53 -1.14 32.60 5.66 -1.44 31.52 5.59 -1.29 3 0 1000.00 -999 ? >VAL^A 491 28.57 2.98 -3.23 26.63 3.98 -3.37 27.60 3.48 -3.30 3 0 1000.00 -999 ? >VAL^A 492 29.45 0.65 -6.09 31.07 -0.79 -6.03 30.26 -0.07 -6.06 3 0 1000.00 -999 ? >PHE^A 493 27.53 2.86 -10.37 29.47 4.25 -11.84 28.50 3.55 -11.10 3 0 1000.00 -999 ? >HIS^A 494 26.41 -3.80 -10.38 24.98 -4.72 -9.15 25.70 -4.26 -9.77 3 0 1000.00 -999 ? >ASN.A 495 24.42 -2.12 -15.82 25.83 -0.94 -16.86 25.13 -1.53 -16.34 2 0 1000.00 -999 ? >SER.A 496 25.80 -5.78 -17.55 24.59 -5.36 -19.61 25.20 -5.57 -18.58 2 0 1000.00 -999 ? >ARG.A 497 28.10 -0.55 -21.06 27.23 0.23 -23.88 27.67 -0.16 -22.47 2 0 1000.00 -999 ? >ILE.A 498 30.40 -0.27 -16.64 29.99 0.90 -17.32 30.19 0.32 -16.98 3 0 1000.00 -999 ? >PHE^A 499 32.40 -2.64 -11.61 35.08 -3.38 -11.36 33.74 -3.01 -11.48 3 0 1000.00 -999 ? >GLY^A 500 31.78 2.05 -10.80 31.35 1.66 -10.26 31.57 1.86 -10.53 1 0 1000.00 -999 ? >VAL^A 501 32.27 4.16 -7.70 34.09 4.01 -6.50 33.18 4.09 -7.10 3 0 1000.00 -999 ? >GLY^A 502 30.15 7.10 -6.57 30.28 6.63 -5.91 30.22 6.86 -6.24 1 0 1000.00 -999 ? >LEU^A 503 29.15 10.48 -3.37 30.44 11.04 -1.73 29.80 10.76 -2.55 3 0 1000.00 -999 ? >ALA^A 504 25.09 8.15 -2.79 24.68 7.07 -1.80 24.89 7.61 -2.29 2 0 1000.00 -999 ? >ALA.A 505 22.78 11.17 -2.61 22.38 11.93 -3.88 22.58 11.55 -3.24 2 0 1000.00 -999 ? >MET?A 506 19.85 9.31 -1.05 17.03 8.78 -4.30 18.44 9.05 -2.67 2 0 1000.00 -999 ? >SER~A 507 19.26 6.24 1.12 16.90 6.05 1.65 18.08 6.15 1.38 2 0 1000.00 -999 ? >GLY~A 508 19.26 2.78 -0.41 18.61 3.21 -0.07 18.93 2.99 -0.24 1 0 1000.00 -999 ? >LYS~A 509 15.51 2.89 0.23 17.51 3.71 5.01 16.51 3.30 2.62 2 0 1000.00 -999 ? >GLU~A 510 14.49 8.38 -0.51 13.05 9.36 -1.75 13.77 8.87 -1.13 2 0 1000.00 -999 ? >MET?A 511 16.76 4.80 -4.72 21.01 4.38 -4.55 18.89 4.59 -4.64 2 0 1000.00 -999 ? >ALA~A 512 14.79 1.58 -5.06 15.12 0.29 -4.30 14.96 0.94 -4.68 2 0 1000.00 -999 ? >GLY.A 513 11.81 3.68 -4.03 12.24 3.91 -4.71 12.02 3.80 -4.37 1 0 1000.00 -999 ? >SER.A 514 10.25 6.76 -5.61 8.31 7.13 -4.18 9.28 6.95 -4.90 2 0 1000.00 -999 ? >GLY.A 517 16.04 13.24 -7.70 16.09 12.47 -7.97 16.07 12.85 -7.84 1 0 1000.00 -999 ? >ILE^A 518 20.89 13.64 -7.97 21.98 14.40 -8.56 21.43 14.02 -8.27 3 0 1000.00 -999 ? >ALA^A 519 20.61 9.11 -6.72 20.12 7.84 -7.40 20.37 8.48 -7.06 2 0 1000.00 -999 ? >ILE^A 520 24.87 7.58 -7.54 25.38 6.26 -7.23 25.13 6.92 -7.39 3 0 1000.00 -999 ? >ASN^A 521 27.67 12.51 -7.05 26.08 13.85 -6.49 26.88 13.18 -6.77 2 0 1000.00 -999 ? >VAL^A 522 29.55 9.30 -10.14 29.10 8.13 -11.93 29.33 8.71 -11.03 3 0 1000.00 -999 ? >LYS^A 523 33.27 9.39 -9.37 35.36 10.98 -3.64 34.31 10.19 -6.51 2 0 1000.00 -999 ? >ARG^A 524 37.45 5.46 -9.66 37.99 8.38 -8.87 37.72 6.92 -9.26 2 0 1000.00 -999 ? >LYS^A 525 33.65 3.60 -13.75 30.61 5.73 -18.86 32.13 4.67 -16.31 2 0 1000.00 -999 ? >PHE^A 526 36.29 0.35 -12.71 36.74 1.78 -10.32 36.52 1.06 -11.51 3 0 1000.00 -999 ? >SER.A 527 34.77 -1.38 -18.34 35.27 0.44 -19.84 35.02 -0.47 -19.09 2 0 1000.00 -999 ?