REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 09-JUL-09 3I8N COMPND UNCHARACTERIZED PROTEIN VP2912; COMPND 3 CHAIN: A, B; COMPND 4 FRAGMENT: RESIDUES189-315; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO PARAHAEMOLYTICUS; SOURCE 3 ORGANISM_TAXID: 670; SOURCE 4 STRAIN: RIMD 2210633; SOURCE 5 GENE: VIBRIO PARAHAEMOLYTICUS, VP2912; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: PPK1037; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PMCSG19 AUTHOR K.TAN,C.TESAR,J.BEARDEN,A.JOACHIMIAK,MIDWEST CENTER FOR AUTHOR 2 STRUCTURAL GENOMICS (MCSG) HET MSE A 197 8 HET MSE A 210 8 HET MSE A 249 8 HET MSE A 263 8 HET MSE A 282 8 HET MSE A 283 8 HET MSE B 197 8 HET MSE B 210 8 HET MSE B 249 8 HET MSE B 263 8 HET MSE B 282 8 HET MSE B 283 8 HET FMT A 1 3 HET FMT B 2 3 SITE 1 AC1 4 HIS A 219 ASP A 221 ARG A 243 LEU A 244 SITE 1 AC2 2 HIS B 219 LYS B 220 >PRO.A 192 31.60 47.63 94.37 30.39 46.08 95.46 30.99 46.86 94.91 3 0 29.00 -999 ? O2 FMT B 2 >VAL.A 193 27.57 46.26 98.68 26.14 44.60 98.69 26.85 45.43 98.69 3 0 28.86 -999 ? O1 FMT A 1 >THR.A 194 28.68 46.84 102.29 30.24 46.13 103.61 29.46 46.49 102.95 2 0 30.14 -999 ? O1 FMT A 1 >GLN.A 195 32.56 48.02 99.85 32.55 46.71 98.16 32.55 47.36 99.00 2 0 29.37 -999 ? O2 FMT B 2 >VAL.A 196 27.69 51.68 100.04 26.75 51.83 98.08 27.22 51.75 99.06 3 0 30.91 -999 ? C FMT A 1 >MET?A 197 24.89 49.88 101.89 21.50 48.81 99.54 23.20 49.34 100.71 2 0 25.02 -999 ? C FMT A 1 >THR.A 198 25.44 48.21 105.25 25.42 49.66 106.87 25.43 48.94 106.06 2 0 25.95 -999 ? C FMT A 1 >PRO.A 199 25.86 43.92 104.92 24.25 45.34 105.55 25.06 44.63 105.23 3 0 24.50 -999 ? O1 FMT A 1 >ARG.A 200 17.86 45.75 106.69 14.94 45.70 107.60 16.40 45.72 107.14 2 0 14.97 -999 ? C FMT A 1 >PRO.A 201 21.78 44.66 112.61 21.63 43.06 111.03 21.70 43.86 111.82 3 0 19.98 -999 ? O1 FMT A 1 >VAL.A 202 19.79 39.29 111.85 19.93 37.33 110.91 19.86 38.31 111.38 3 0 17.45 -999 ? O1 FMT A 1 >VAL.A 203 17.63 40.08 114.89 17.33 42.25 114.60 17.48 41.16 114.75 3 0 15.42 -999 ? O1 FMT A 1 >PHE.A 204 11.97 38.10 114.02 9.50 36.85 114.27 10.73 37.47 114.15 3 0 8.52 -999 ? O1 FMT A 1 >ARG^A 205 18.82 34.21 115.10 21.52 35.11 113.98 20.17 34.66 114.54 2 0 19.44 -999 ? O1 FMT A 1 >VAL^A 206 12.53 31.45 114.49 10.79 32.51 113.70 11.66 31.98 114.09 3 0 11.44 -999 ? O1 FMT A 1 >ASP^A 207 12.64 26.93 115.99 13.57 25.04 116.04 13.11 25.99 116.01 2 0 17.88 -999 ? O1 FMT A 1 >ALA.A 208 11.99 25.67 111.58 12.99 24.94 110.70 12.49 25.30 111.14 2 0 17.33 -999 ? O1 FMT A 1 >THR.A 209 10.15 23.22 113.85 11.62 22.21 115.08 10.89 22.71 114.46 2 0 18.94 -999 ? O1 FMT A 1 >MET?A 210 7.94 25.98 115.21 7.86 30.18 116.18 7.90 28.08 115.69 2 0 10.65 -999 ? O1 FMT A 1 >THR~A 211 4.39 25.70 113.89 2.44 24.95 114.46 3.41 25.33 114.17 2 0 13.77 -999 ? O1 FMT A 1 >ILE~A 212 1.68 28.13 110.64 1.43 28.46 109.21 1.55 28.30 109.93 3 0 10.63 -999 ? O1 FMT A 1 >ASN~A 213 -0.85 27.45 115.40 -2.41 26.85 114.08 -1.63 27.15 114.74 2 0 12.80 -999 ? O1 FMT A 1 >GLU~A 214 3.44 26.78 118.23 4.88 25.24 117.99 4.16 26.01 118.11 2 0 14.64 -999 ? O1 FMT A 1 >PHE~A 215 5.48 32.83 113.15 6.50 35.20 112.13 5.99 34.02 112.64 3 0 5.78 -999 ? O1 FMT A 1 >LEU~A 216 0.06 33.36 113.74 0.19 33.40 111.56 0.13 33.38 112.65 3 0 5.69 -999 ? O1 FMT A 1 >ASP~A 217 0.58 31.99 119.04 -1.38 31.46 119.64 -0.40 31.72 119.34 2 0 10.80 -999 ? O1 FMT A 1 >LYS~A 218 3.95 34.53 119.72 9.85 34.10 121.53 6.90 34.31 120.63 2 0 12.52 -999 ? O1 FMT A 1 >HIS~A 219 6.76 36.09 116.80 8.36 35.17 117.80 7.56 35.63 117.30 3 0 -7.62 -999 ? O1 FMT A 1s >LYS.A 220 1.27 39.06 116.61 -4.47 39.55 115.27 -1.60 39.31 115.94 2 0 6.00 -999 ? O2 FMT A 1 >ASP.A 221 1.10 43.43 117.04 -0.97 43.05 116.96 0.06 43.24 117.00 2 0 -5.34 -999 ? O2 FMT A 1s >THR.A 222 5.59 42.15 115.66 6.87 40.70 114.64 6.23 41.42 115.15 2 0 5.31 -999 ? C FMT A 1 >PRO.A 223 8.62 44.89 116.73 7.31 44.65 114.93 7.96 44.77 115.83 3 0 8.40 -999 ? C FMT A 1 >PHE.A 224 11.47 42.37 114.66 12.61 43.33 117.02 12.04 42.85 115.84 3 0 10.93 -999 ? C FMT A 1 >SER.A 225 9.33 42.37 108.96 10.44 44.19 107.79 9.89 43.28 108.37 2 0 10.55 -999 ? C FMT A 1 >ARG.A 226 13.04 43.12 107.41 11.82 43.94 104.70 12.43 43.53 106.06 2 0 13.14 -999 ? C FMT A 1 >PRO.A 227 9.40 37.35 109.90 11.64 37.44 109.73 10.52 37.40 109.81 3 0 8.58 -999 ? O1 FMT A 1 >LEU^A 228 16.08 34.76 109.53 16.97 35.92 107.89 16.53 35.34 108.71 3 0 14.93 -999 ? O1 FMT A 1 >VAL^A 229 14.12 30.69 109.97 12.49 29.42 109.28 13.30 30.05 109.63 3 0 14.09 -999 ? O1 FMT A 1 >TYR^A 230 17.10 29.05 114.08 15.93 28.72 116.60 16.52 28.89 115.34 3 0 17.32 -999 ? O1 FMT A 1 >SER.A 231 17.35 24.89 111.44 17.98 22.76 110.39 17.66 23.83 110.92 2 0 22.26 -999 ? O1 FMT A 1 >GLU.A 232 19.11 21.09 113.93 18.14 20.08 115.52 18.63 20.59 114.73 2 0 24.45 -999 ? O1 FMT A 1 >GLN.A 233 23.85 25.20 116.15 23.11 23.20 115.91 23.48 24.20 116.03 2 0 25.98 -999 ? O1 FMT A 1 >LYS.A 234 20.25 29.87 115.73 20.15 30.43 121.57 20.20 30.15 118.65 2 0 21.50 -999 ? O1 FMT A 1 >ASP.A 235 24.69 30.07 113.98 25.90 31.65 114.65 25.30 30.86 114.32 2 0 24.55 -999 ? O1 FMT A 1 >ASN.A 236 22.00 26.68 111.14 21.91 25.42 109.42 21.95 26.05 110.28 2 0 23.69 -999 ? O1 FMT A 1 >ILE^A 237 19.84 31.73 108.34 18.86 32.40 109.13 19.35 32.07 108.73 3 0 18.50 -999 ? O1 FMT A 1 >ILE^A 238 17.42 26.74 106.47 17.07 25.74 107.41 17.25 26.24 106.94 3 0 20.05 -999 ? O1 FMT A 1 >GLY^A 239 14.92 30.40 105.07 15.20 30.72 105.75 15.06 30.56 105.41 1 0 16.65 -999 ? O1 FMT A 1 >PHE^A 240 12.76 34.92 103.82 12.21 35.49 101.14 12.49 35.20 102.48 3 0 14.57 -999 ? O1 FMT A 1 >VAL.A 241 8.80 33.76 106.13 8.54 32.45 107.89 8.67 33.10 107.01 3 0 9.93 -999 ? O1 FMT A 1 >HIS~A 242 7.05 37.38 103.30 8.69 38.00 102.15 7.87 37.69 102.73 3 0 11.20 -999 ? O1 FMT A 1 >ARG~A 243 5.42 39.27 110.20 6.84 39.13 107.49 6.13 39.20 108.84 2 0 -6.68 -999 ? O1 FMT A 1s >LEU~A 244 0.70 38.62 104.49 -1.19 39.24 103.61 -0.25 38.93 104.05 3 0 -8.80 -999 ? C FMT A 1s >GLU~A 245 2.98 33.01 102.06 4.76 33.06 100.93 3.87 33.04 101.50 2 0 13.00 -999 ? O1 FMT A 1 >LEU~A 246 2.56 32.60 108.15 4.53 31.65 108.27 3.54 32.13 108.21 3 0 7.82 -999 ? O1 FMT A 1 >PHE~A 247 -3.46 35.51 108.70 -6.08 35.98 109.50 -4.77 35.75 109.10 3 0 8.24 -999 ? O2 FMT A 1 >LYS~A 248 -3.28 32.78 104.74 -2.21 36.88 100.04 -2.74 34.83 102.39 2 0 13.39 -999 ? O1 FMT A 1 >MET?A 249 -2.02 29.21 105.18 2.06 28.56 104.03 0.02 28.89 104.60 2 0 13.11 -999 ? O1 FMT A 1 >GLN~A 250 -3.94 29.89 111.10 -3.69 31.40 112.58 -3.81 30.64 111.84 2 0 9.44 -999 ? O1 FMT A 1 >GLN~A 251 -6.89 32.84 107.76 -7.72 32.55 109.70 -7.31 32.70 108.73 2 0 12.05 -999 ? O2 FMT A 1 >SER~A 252 -6.51 27.42 105.00 -5.55 28.72 103.20 -6.03 28.07 104.10 2 0 15.73 -999 ? O1 FMT A 1 >GLY.A 253 -6.23 24.95 107.87 -5.58 25.24 107.49 -5.91 25.10 107.68 1 0 16.80 -999 ? O1 FMT A 1 >SER.A 254 -2.46 24.64 107.53 -2.16 24.27 105.13 -2.31 24.45 106.33 2 0 16.73 -999 ? O1 FMT A 1 >GLY.A 255 -1.78 26.15 110.96 -1.62 25.40 110.77 -1.70 25.78 110.86 1 0 13.21 -999 ? O1 FMT A 1 >GLN.A 256 -0.65 20.98 113.79 -2.19 19.63 114.38 -1.42 20.31 114.08 2 0 19.59 -999 ? O1 FMT A 1 >LYS.A 257 2.50 22.95 109.53 0.73 22.78 103.44 1.62 22.87 106.49 2 0 18.28 -999 ? O1 FMT A 1 >GLN~A 258 6.88 21.72 111.94 8.20 20.06 112.11 7.54 20.89 112.02 2 0 19.40 -999 ? O1 FMT A 1 >LEU~A 259 8.61 27.81 110.19 7.32 29.15 111.36 7.96 28.48 110.77 3 0 11.63 -999 ? O1 FMT A 1 >GLY~A 260 10.61 24.76 107.70 9.82 24.77 107.51 10.21 24.77 107.61 1 0 16.75 -999 ? O1 FMT A 1 >ALA~A 261 8.10 23.09 105.38 7.08 22.07 105.88 7.59 22.58 105.63 2 0 18.37 -999 ? O1 FMT A 1 >VAL~A 262 6.56 26.33 104.11 4.97 26.46 105.58 5.77 26.39 104.84 3 0 14.76 -999 ? O1 FMT A 1 >MET?A 263 9.32 28.92 104.30 13.01 27.50 105.85 11.17 28.21 105.08 2 0 16.68 -999 ? O1 FMT A 1 >ARG^A 264 9.07 33.69 100.59 7.24 35.03 98.52 8.16 34.36 99.55 2 0 15.18 -999 ? O1 FMT A 1 >PRO^A 265 13.64 27.95 99.00 13.85 29.23 100.85 13.75 28.59 99.93 3 0 19.62 -999 ? O1 FMT A 1 >ILE~A 266 18.26 31.25 103.34 18.58 31.92 103.66 18.42 31.58 103.50 3 0 19.61 -999 ? O1 FMT A 1 >GLN~A 267 17.68 32.69 97.48 18.48 30.98 96.51 18.08 31.84 96.99 2 0 23.87 -999 ? O1 FMT A 1 >VAL^A 268 22.92 34.47 99.54 24.66 33.63 100.54 23.79 34.05 100.04 3 0 25.11 -999 ? O1 FMT A 1 >VAL^A 269 24.41 37.49 97.77 22.82 39.01 97.86 23.61 38.25 97.82 3 0 25.75 -999 ? O1 FMT A 1 >LEU^A 270 29.10 37.92 96.68 29.32 35.77 96.35 29.21 36.85 96.52 3 0 22.06 -999 ? O2 FMT B 2 >ASN~A 271 30.41 41.57 100.48 30.70 43.47 101.39 30.55 42.52 100.94 2 0 28.65 -999 ? O2 FMT B 2 >ASN~A 272 32.80 41.88 96.00 34.11 42.05 97.69 33.46 41.97 96.85 2 0 24.64 -999 ? O2 FMT B 2 >THR~A 273 28.47 42.31 93.81 27.35 40.54 93.35 27.91 41.43 93.58 2 0 24.91 -999 ? O2 FMT B 2 >ALA~A 274 27.31 45.45 92.01 27.57 45.75 90.51 27.44 45.60 91.26 2 0 28.66 -999 ? O2 FMT B 2 >LEU~A 275 23.84 48.12 94.14 24.21 48.10 96.30 24.02 48.11 95.22 3 0 29.13 -999 ? C FMT A 1 >PRO~A 276 23.68 48.99 89.56 22.73 47.23 90.58 23.21 48.11 90.07 3 0 31.91 -999 ? C FMT A 1 >LYS~A 277 23.10 43.47 89.38 27.23 39.22 87.06 25.17 41.35 88.22 2 0 23.22 -999 ? O2 FMT B 2 >VAL~A 278 21.87 42.37 92.80 22.62 42.39 94.82 22.24 42.38 93.81 3 0 27.48 -999 ? O1 FMT A 1 >PHE~A 279 17.18 46.25 91.57 14.56 47.03 91.04 15.87 46.64 91.30 3 0 26.19 -999 ? C FMT A 1 >ASP~A 280 19.23 42.92 87.57 18.43 42.47 85.67 18.83 42.70 86.62 2 0 31.46 -999 ? O1 FMT A 1 >GLN~A 281 21.09 38.64 89.78 22.96 38.45 90.81 22.03 38.55 90.30 2 0 25.73 -999 ? O2 FMT B 2 >MET?A 282 16.37 39.73 93.13 18.16 41.37 96.78 17.26 40.55 94.95 2 0 22.39 -999 ? O1 FMT A 1 >MET?A 283 13.59 41.37 91.11 12.82 44.49 88.29 13.21 42.93 89.70 2 0 26.89 -999 ? C FMT A 1 >THR~A 284 13.88 38.76 88.36 15.17 38.35 86.68 14.53 38.55 87.52 2 0 28.76 -999 ? O1 FMT A 1 >HIS~A 285 15.93 35.10 90.58 17.60 34.81 89.34 16.76 34.95 89.96 3 0 26.93 -999 ? O1 FMT A 1 >ARG~A 286 7.77 36.46 91.33 7.96 35.88 88.33 7.86 36.17 89.83 2 0 24.92 -999 ? O1 FMT A 1 >LEU~A 287 14.85 36.98 95.78 16.14 35.85 97.07 15.49 36.42 96.43 3 0 20.80 -999 ? O1 FMT A 1 >GLN~A 288 9.92 38.84 99.04 8.73 40.32 98.06 9.33 39.58 98.55 2 0 15.83 -999 ? O1 FMT A 1 >LEU^A 289 15.15 39.40 102.49 15.58 38.20 104.29 15.37 38.80 103.39 3 0 15.80 -999 ? O1 FMT A 1 >ALA^A 290 19.00 37.81 101.00 19.69 38.03 99.65 19.35 37.92 100.32 2 0 21.50 -999 ? O1 FMT A 1 >LEU^A 291 22.27 35.78 103.89 21.19 34.98 105.58 21.73 35.38 104.73 3 0 21.03 -999 ? O1 FMT A 1 >VAL^A 292 24.98 39.13 102.52 25.12 41.26 102.16 25.05 40.19 102.34 3 0 24.82 -999 ? O1 FMT A 1 >VAL~A 293 28.19 37.08 102.59 28.25 34.89 102.58 28.22 35.99 102.59 3 0 25.13 -999 ? O2 FMT B 2 >ASP~A 294 32.52 39.10 103.31 33.37 37.96 104.88 32.94 38.53 104.09 2 0 25.70 -999 ? O2 FMT B 2 >GLU~A 295 36.95 37.94 100.60 36.76 40.03 100.54 36.85 38.98 100.57 2 0 23.68 -999 ? O2 FMT B 2 >TYR~A 296 37.25 36.32 104.64 39.17 38.18 103.87 38.21 37.25 104.25 3 0 23.68 -999 ? O2 FMT B 2 >GLY~A 297 32.18 33.03 103.91 32.39 33.68 104.35 32.28 33.35 104.13 1 0 22.44 -999 ? O2 FMT B 2 >THR~A 298 31.18 35.24 106.81 32.36 36.05 108.46 31.77 35.64 107.64 2 0 27.44 -999 ? O2 FMT B 2 >VAL^A 299 27.54 36.28 107.02 25.70 35.17 107.31 26.62 35.73 107.17 3 0 24.91 -999 ? O1 FMT A 1 >LEU^A 300 28.07 40.99 106.14 30.08 40.71 105.40 29.08 40.85 105.77 3 0 27.55 -999 ? O1 FMT A 1 >GLY^A 301 23.85 40.58 107.67 24.05 40.14 106.95 23.95 40.36 107.31 1 0 22.03 -999 ? O1 FMT A 1 >LEU^A 302 19.60 40.05 105.99 17.80 40.98 106.88 18.70 40.51 106.44 3 0 17.45 -999 ? O1 FMT A 1 >VAL^A 303 19.48 42.87 102.54 21.18 43.06 101.15 20.33 42.97 101.85 3 0 21.26 -999 ? O1 FMT A 1 >THR^A 304 16.00 43.31 101.21 14.91 44.21 102.85 15.45 43.76 102.03 2 0 16.64 -999 ? C FMT A 1 >LEU~A 305 13.81 43.19 96.94 13.40 43.35 94.83 13.61 43.27 95.89 3 0 20.51 -999 ? C FMT A 1 >GLU~A 306 12.15 46.99 101.36 10.46 47.25 102.61 11.31 47.12 101.99 2 0 14.96 -999 ? C FMT A 1 >ASP~A 307 17.14 47.47 101.71 16.17 47.23 103.61 16.66 47.35 102.66 2 0 18.24 -999 ? C FMT A 1 >ILE~A 308 18.24 46.60 96.49 19.65 46.22 96.60 18.95 46.41 96.55 3 0 24.13 -999 ? C FMT A 1 >PHE~A 309 12.96 50.22 94.81 11.31 51.81 93.23 12.14 51.02 94.02 3 0 23.85 -999 ? C FMT A 1 >GLU~A 310 13.72 52.15 99.86 13.32 51.98 101.93 13.52 52.07 100.90 2 0 19.67 -999 ? C FMT A 1 >HIS~A 311 21.71 52.48 97.90 23.62 53.33 97.70 22.67 52.90 97.80 3 0 28.49 -999 ? C FMT A 1 >LEU~A 312 18.82 51.62 92.99 20.31 50.02 92.88 19.56 50.82 92.94 3 0 28.46 -999 ? C FMT A 1 >VAL~A 313 16.41 55.21 93.54 14.30 55.39 94.04 15.36 55.30 93.79 3 0 27.69 -999 ? C FMT A 1 >GLY~A 314 18.42 57.66 95.65 18.73 57.25 94.99 18.58 57.46 95.32 1 0 29.51 -999 ? C FMT A 1 >GLU~A 315 22.26 56.13 94.02 23.96 54.89 93.86 23.11 55.51 93.94 2 0 32.46 -999 ? C FMT A 1 >ALA~B 188 8.38 7.30 100.35 9.34 8.18 101.13 8.86 7.74 100.74 2 0 33.17 -999 ? O1 FMT A 1 >GLN~B 189 6.72 11.14 98.78 6.92 12.88 99.99 6.82 12.01 99.39 2 0 28.92 -999 ? O1 FMT A 1 >ASP~B 190 11.33 11.11 94.48 10.19 10.93 92.71 10.76 11.02 93.60 2 0 33.16 -999 ? O2 FMT B 2 >VAL~B 191 15.04 9.54 95.83 15.85 8.81 93.93 15.44 9.18 94.88 3 0 29.35 -999 ? C FMT B 2 >PRO~B 192 17.57 9.79 99.21 16.80 11.30 97.72 17.18 10.55 98.47 3 0 28.44 -999 ? C FMT B 2 >VAL~B 193 18.96 14.82 96.60 19.44 16.86 97.27 19.20 15.84 96.93 3 0 24.64 -999 ? O2 FMT B 2 >THR~B 194 21.89 13.16 98.37 21.28 12.69 100.40 21.58 12.93 99.38 2 0 25.17 -999 ? C FMT B 2 >GLN~B 195 19.92 9.44 94.52 19.24 7.54 93.81 19.58 8.49 94.16 2 0 26.42 -999 ? C FMT B 2 >VAL~B 196 21.73 12.90 92.81 20.01 13.81 91.82 20.87 13.35 92.31 3 0 22.38 -999 ? O2 FMT B 2 >MET?B 197 24.57 15.06 94.10 25.10 15.40 98.37 24.83 15.23 96.24 2 0 20.32 -999 ? C FMT B 2 >THR^B 198 28.30 14.66 93.72 29.73 15.01 92.13 29.01 14.84 92.92 2 0 13.75 -999 ? C FMT B 2 >PRO^B 199 29.41 11.61 96.57 29.34 13.86 96.59 29.38 12.74 96.58 3 0 16.79 -999 ? O1 FMT B 2 >ARG~B 200 33.27 18.68 101.21 32.69 19.60 104.08 32.98 19.14 102.65 2 0 18.24 -999 ? O1 FMT B 2 >PRO~B 201 33.59 12.79 100.47 34.22 14.43 99.07 33.90 13.61 99.77 3 0 15.22 -999 ? O1 FMT B 2 >VAL~B 202 35.01 13.96 95.20 33.68 12.32 94.68 34.34 13.14 94.94 3 0 12.13 -999 ? O1 FMT B 2 >VAL~B 203 34.04 17.58 94.62 32.29 18.79 95.11 33.17 18.19 94.86 3 0 11.30 -999 ? O1 FMT B 2 >PHE~B 204 38.51 20.65 91.52 40.72 22.25 91.00 39.61 21.45 91.26 3 0 4.22 -999 ? O2 FMT B 2 >ARG^B 205 36.39 21.32 97.58 35.99 18.96 99.49 36.19 20.14 98.53 2 0 12.60 -999 ? O1 FMT B 2 >VAL^B 206 40.40 25.69 95.02 40.66 25.76 92.84 40.53 25.72 93.93 3 0 8.14 -999 ? O2 FMT B 2 >ASP^B 207 43.11 28.44 97.94 43.34 29.93 99.43 43.23 29.18 98.69 2 0 14.91 -999 ? O1 FMT B 2 >ALA~B 208 40.17 31.84 96.59 39.02 32.44 97.37 39.60 32.14 96.98 2 0 15.43 -999 ? O2 FMT B 2 >THR~B 209 43.48 33.61 97.26 43.87 33.32 99.37 43.67 33.47 98.31 2 0 17.42 -999 ? O2 FMT B 2 >MET?B 210 45.18 31.79 94.42 45.69 28.10 92.30 45.43 29.95 93.36 2 0 9.72 -999 ? O2 FMT B 2 >THR~B 211 45.85 34.26 91.61 47.97 34.69 91.46 46.91 34.47 91.53 2 0 15.85 -999 ? O2 FMT B 2 >ILE~B 212 43.45 34.83 87.44 42.32 35.48 86.87 42.88 35.16 87.15 3 0 14.41 -999 ? O2 FMT B 2 >ASN~B 213 48.74 34.34 86.70 48.52 36.01 85.39 48.63 35.17 86.05 2 0 16.89 -999 ? O2 FMT B 2 >GLU~B 214 48.31 31.47 91.38 49.38 31.99 93.16 48.84 31.73 92.27 2 0 14.84 -999 ? O1 FMT B 2 >PHE~B 215 42.75 28.44 88.83 40.74 26.67 88.07 41.75 27.56 88.45 3 0 6.81 -999 ? O2 FMT B 2 >LEU~B 216 45.00 30.15 84.15 43.00 30.94 83.77 44.00 30.55 83.96 3 0 10.66 -999 ? O2 FMT B 2 >ASP~B 217 49.87 28.32 85.24 51.67 27.32 84.72 50.77 27.82 84.98 2 0 12.46 -999 ? O2 FMT B 2 >LYS~B 218 48.24 24.92 87.62 47.95 23.56 93.86 48.09 24.24 90.74 2 0 8.41 -999 ? O1 FMT B 2 >HIS~B 219 44.06 23.51 89.30 44.60 22.82 91.21 44.33 23.17 90.25 3 0 -4.29 -999 ? O1 FMT B 2s >LYS~B 220 43.68 22.45 83.40 47.89 25.39 81.79 45.79 23.92 82.60 2 0 -9.77 -999 ? O2 FMT B 2s >ASP~B 221 39.27 22.22 83.85 37.56 20.98 84.08 38.42 21.60 83.96 2 0 5.14 -999 ? O2 FMT B 2 >THR~B 222 37.46 22.85 79.86 36.06 21.19 79.87 36.76 22.02 79.87 2 0 9.30 -999 ? O2 FMT B 2 >PRO~B 223 36.72 25.46 76.50 36.53 25.63 78.73 36.63 25.55 77.62 3 0 11.93 -999 ? O2 FMT B 2 >PHE~B 224 31.49 26.74 78.62 30.98 28.28 76.36 31.24 27.51 77.49 3 0 15.75 -999 ? O2 FMT B 2 >SER~B 225 34.23 24.56 83.77 36.65 24.76 83.74 35.44 24.66 83.75 2 0 7.22 -999 ? O2 FMT B 2 >ARG~B 226 29.44 26.78 85.85 27.29 24.60 85.67 28.36 25.69 85.76 2 0 14.72 -999 ? O2 FMT B 2 >PRO~B 227 36.98 26.78 88.46 35.27 25.53 89.17 36.13 26.15 88.81 3 0 7.61 -999 ? O2 FMT B 2 >LEU^B 228 33.80 24.50 94.20 31.76 23.80 93.90 32.78 24.15 94.05 3 0 11.33 -999 ? O2 FMT B 2 >VAL^B 229 36.14 28.09 95.61 36.71 30.06 94.86 36.42 29.07 95.23 3 0 12.36 -999 ? O2 FMT B 2 >TYR^B 230 38.91 26.08 99.72 41.61 25.43 99.50 40.26 25.76 99.61 3 0 12.71 -999 ? O1 FMT B 2 >SER~B 231 38.29 30.49 101.69 38.07 32.36 103.23 38.18 31.42 102.46 2 0 19.80 -999 ? O2 FMT B 2 >GLU~B 232 41.61 31.04 105.56 41.04 32.39 107.08 41.32 31.71 106.32 2 0 22.42 -999 ? O1 FMT B 2 >GLN~B 233 39.21 24.28 107.05 40.88 25.21 108.01 40.04 24.74 107.53 2 0 20.13 -999 ? O1 FMT B 2 >LYS~B 234 38.70 23.11 101.96 43.79 20.17 101.28 41.25 21.64 101.62 2 0 12.58 -999 ? O1 FMT B 2 >ASP~B 235 34.90 21.74 104.60 35.21 22.76 106.42 35.05 22.25 105.51 2 0 19.40 -999 ? O1 FMT B 2 >ASN~B 236 35.49 27.30 104.53 34.49 29.14 104.85 34.99 28.22 104.69 2 0 20.40 -999 ? O1 FMT B 2 >ILE^B 237 32.46 25.38 99.50 32.43 24.35 98.47 32.45 24.86 98.99 3 0 15.12 -999 ? O2 FMT B 2 >ILE^B 238 32.88 31.22 100.20 34.09 31.71 100.67 33.49 31.47 100.43 3 0 18.53 -999 ? O2 FMT B 2 >GLY^B 239 31.15 30.21 95.85 31.76 29.65 95.97 31.46 29.93 95.91 1 0 16.22 -999 ? O2 FMT B 2 >PHE^B 240 30.50 28.82 91.04 28.29 29.82 89.64 29.39 29.32 90.34 3 0 14.98 -999 ? O2 FMT B 2 >VAL~B 241 34.11 31.00 89.36 36.13 31.36 90.13 35.12 31.18 89.74 3 0 12.32 -999 ? O2 FMT B 2 >HIS~B 242 31.38 31.31 85.14 29.35 31.08 85.61 30.37 31.20 85.38 3 0 15.29 -999 ? O2 FMT B 2 >ARG~B 243 39.29 26.65 82.44 42.15 26.09 83.43 40.72 26.37 82.94 2 0 6.68 -999 ? O2 FMT B 2 >LEU~B 244 34.98 31.40 79.92 35.00 31.85 77.80 34.99 31.63 78.86 3 0 15.24 -999 ? O2 FMT B 2 >GLU~B 245 34.79 36.34 84.69 33.04 36.89 85.77 33.92 36.62 85.23 2 0 18.19 -999 ? O2 FMT B 2 >LEU~B 246 39.48 32.50 85.22 38.81 31.90 87.24 39.15 32.20 86.23 3 0 11.66 -999 ? O2 FMT B 2 >PHE~B 247 41.19 32.56 78.92 42.80 32.49 76.63 41.99 32.52 77.77 3 0 15.21 -999 ? O2 FMT B 2 >LYS~B 248 39.05 36.96 80.13 35.67 40.31 81.84 37.36 38.64 80.98 2 0 21.08 -999 ? O2 FMT B 2 >MET?B 249 40.58 38.59 83.24 38.99 40.37 85.55 39.78 39.48 84.39 2 0 19.79 -999 ? O2 FMT B 2 >GLN~B 250 45.84 35.55 81.87 46.31 33.47 81.78 46.08 34.51 81.82 2 0 14.71 -999 ? O2 FMT B 2 >GLN~B 251 43.18 36.24 77.70 45.06 35.71 76.86 44.12 35.98 77.28 2 0 18.65 -999 ? O2 FMT B 2 >SER~B 252 42.76 41.84 80.11 40.35 41.72 79.93 41.56 41.78 80.02 2 0 22.24 -999 ? O2 FMT B 2 >GLY~B 253 45.99 42.02 82.08 45.28 41.84 82.44 45.64 41.93 82.26 1 0 22.35 -999 ? O2 FMT B 2 >SER~B 254 44.44 41.21 85.45 42.80 43.01 85.41 43.62 42.11 85.43 2 0 22.32 -999 ? O2 FMT B 2 >GLY~B 255 45.92 37.73 85.82 46.04 38.38 86.30 45.98 38.06 86.06 1 0 17.58 -999 ? O2 FMT B 2 >GLN~B 256 48.28 41.23 88.13 48.94 41.07 86.11 48.61 41.15 87.12 2 0 21.64 -999 ? O2 FMT B 2 >LYS~B 257 44.44 39.22 90.73 41.72 42.05 94.21 43.08 40.64 92.47 2 0 22.27 -999 ? O2 FMT B 2 >GLN~B 258 43.89 36.90 95.35 43.37 37.57 97.29 43.63 37.24 96.32 2 0 19.51 -999 ? O2 FMT B 2 >LEU~B 259 40.28 32.54 92.53 41.51 31.31 91.22 40.90 31.92 91.87 3 0 11.94 -999 ? O2 FMT B 2 >GLY~B 260 37.86 35.71 94.42 38.21 36.06 93.79 38.04 35.88 94.10 1 0 16.79 -999 ? O2 FMT B 2 >ALA~B 261 37.90 38.81 92.25 39.02 39.24 91.31 38.46 39.03 91.78 2 0 18.95 -999 ? O2 FMT B 2 >VAL~B 262 35.19 37.24 90.07 36.27 36.94 88.19 35.73 37.10 89.13 3 0 17.30 -999 ? O2 FMT B 2 >MET?B 263 33.63 34.86 92.60 34.04 33.32 96.61 33.83 34.09 94.61 2 0 17.13 -999 ? O2 FMT B 2 >ARG~B 264 29.86 35.11 89.19 29.32 35.97 86.29 29.59 35.54 87.74 2 0 19.41 -999 ? O2 FMT B 2 >PRO~B 265 26.20 34.78 94.21 27.94 33.31 94.40 27.07 34.04 94.30 3 0 20.65 -999 ? O2 FMT B 2 >ILE~B 266 27.67 28.19 95.42 28.15 26.95 95.61 27.91 27.57 95.52 3 0 17.09 -999 ? O2 FMT B 2 >GLN~B 267 22.03 30.20 95.65 22.40 31.94 96.83 22.22 31.07 96.24 2 0 23.92 -999 ? O2 FMT B 2 >VAL^B 268 22.38 25.60 99.33 22.87 26.26 101.37 22.63 25.93 100.35 3 0 23.32 -999 ? O2 FMT B 2 >VAL^B 269 19.57 23.07 99.28 19.46 22.36 97.19 19.51 22.71 98.24 3 0 24.46 -999 ? O2 FMT B 2 >LEU^B 270 17.31 21.24 103.13 17.37 23.06 104.32 17.34 22.15 103.72 3 0 23.84 -999 ? O1 FMT A 1 >ASN~B 271 20.33 16.48 103.11 19.82 16.42 105.18 20.07 16.45 104.15 2 0 28.25 -999 ? O1 FMT B 2 >ASN~B 272 15.21 16.53 104.79 14.93 18.57 105.32 15.07 17.55 105.05 2 0 24.64 -999 ? O1 FMT A 1 >THR~B 273 13.98 18.42 100.62 14.08 20.51 100.11 14.03 19.47 100.37 2 0 24.80 -999 ? O1 FMT A 1 >ALA~B 274 11.98 16.33 98.15 10.46 16.21 98.13 11.22 16.27 98.14 2 0 27.76 -999 ? O1 FMT A 1 >LEU~B 275 13.97 14.93 93.92 15.89 14.62 92.94 14.93 14.77 93.43 3 0 27.80 -999 ? O2 FMT B 2 >PRO~B 276 9.43 15.91 93.48 11.07 17.43 93.36 10.25 16.67 93.42 3 0 30.07 -999 ? O1 FMT A 1 >LYS~B 277 10.73 20.79 95.48 9.16 23.01 101.23 9.95 21.90 98.35 2 0 20.35 -999 ? O1 FMT A 1 >VAL~B 278 14.49 21.10 95.06 16.26 19.98 95.68 15.37 20.54 95.37 3 0 27.20 -999 ? O2 FMT B 2 >PHE~B 279 13.41 20.35 88.96 13.64 20.62 86.20 13.52 20.49 87.58 3 0 27.88 -999 ? O2 FMT B 2 >ASP~B 280 10.06 23.73 92.58 8.61 25.25 92.32 9.33 24.49 92.45 2 0 24.94 -999 ? O1 FMT A 1 >GLN~B 281 12.94 25.35 96.47 13.74 24.67 98.34 13.34 25.01 97.40 2 0 22.82 -999 ? O1 FMT A 1 >MET?B 282 16.57 25.99 91.79 19.14 22.58 92.05 17.85 24.29 91.92 2 0 22.79 -999 ? O2 FMT B 2 >MET?B 283 14.43 26.77 88.75 11.48 25.11 86.22 12.95 25.94 87.49 2 0 30.26 -999 ? O2 FMT B 2 >THR~B 284 12.58 29.53 90.61 11.09 29.67 92.18 11.84 29.60 91.40 2 0 23.79 -999 ? O1 FMT A 1 >HIS~B 285 15.73 31.05 93.89 14.37 31.07 95.47 15.05 31.06 94.68 3 0 23.07 -999 ? O1 FMT A 1 >ARG~B 286 16.27 33.28 86.50 17.09 34.79 83.99 16.68 34.03 85.24 2 0 28.25 -999 ? O2 FMT B 2 >LEU~B 287 20.15 27.58 91.20 20.03 28.89 92.99 20.09 28.24 92.10 3 0 23.03 -999 ? O2 FMT B 2 >GLN~B 288 22.82 27.27 85.69 24.17 27.96 84.21 23.49 27.62 84.95 2 0 18.93 -999 ? O2 FMT B 2 >LEU^B 289 25.91 25.11 90.55 27.72 24.09 90.05 26.82 24.60 90.30 3 0 15.33 -999 ? O2 FMT B 2 >ALA^B 290 23.90 24.16 94.48 22.39 24.21 94.71 23.14 24.19 94.60 2 0 20.62 -999 ? O2 FMT B 2 >LEU^B 291 26.32 23.63 98.63 28.40 24.21 98.47 27.36 23.92 98.55 3 0 18.14 -999 ? O2 FMT B 2 >VAL^B 292 23.58 20.24 99.57 22.50 18.54 98.73 23.04 19.39 99.15 3 0 21.80 -999 ? O2 FMT B 2 >VAL^B 293 23.68 20.58 103.36 23.45 22.75 103.54 23.57 21.67 103.45 3 0 23.95 -999 ? O2 FMT B 2 >ASP~B 294 23.03 17.66 107.19 24.32 18.53 108.63 23.68 18.09 107.91 2 0 27.00 -999 ? O1 FMT B 2 >GLU~B 295 19.25 17.80 109.75 17.94 17.10 108.25 18.60 17.45 109.00 2 0 26.82 -999 ? O1 FMT A 1 >TYR~B 296 23.11 19.78 112.44 21.62 17.95 113.92 22.37 18.87 113.18 3 0 28.03 -999 ? O1 FMT A 1 >GLY~B 297 24.51 23.36 107.65 24.79 22.64 107.84 24.65 23.00 107.75 1 0 26.42 -999 ? O1 FMT B 2 >THR~B 298 27.30 20.90 106.90 27.39 19.42 108.48 27.34 20.16 107.69 2 0 24.89 -999 ? O1 FMT B 2 >VAL^B 299 28.00 20.55 103.20 28.95 21.92 101.80 28.47 21.23 102.50 3 0 19.77 -999 ? O1 FMT B 2 >LEU^B 300 25.93 16.34 102.12 24.95 16.00 104.03 25.44 16.17 103.08 3 0 22.59 -999 ? O1 FMT B 2 >GLY^B 301 27.96 17.64 98.29 27.55 18.27 98.52 27.75 17.96 98.41 1 0 17.54 -999 ? O2 FMT B 2 >LEU^B 302 28.46 19.92 94.26 28.74 21.57 92.85 28.60 20.74 93.55 3 0 14.17 -999 ? O2 FMT B 2 >VAL^B 303 24.10 18.94 92.92 21.97 18.93 93.44 23.04 18.93 93.18 3 0 19.32 -999 ? O2 FMT B 2 >THR^B 304 23.45 20.29 89.40 24.86 19.31 88.09 24.16 19.80 88.75 2 0 16.62 -999 ? O2 FMT B 2 >LEU~B 305 19.73 22.70 87.46 17.84 23.69 87.05 18.79 23.20 87.25 3 0 22.74 -999 ? O2 FMT B 2 >GLU~B 306 22.57 18.60 82.85 24.51 18.71 82.02 23.54 18.66 82.44 2 0 17.88 -999 ? O2 FMT B 2 >ASP~B 307 22.40 15.78 87.96 24.34 15.69 87.12 23.37 15.74 87.54 2 0 17.82 -999 ? O2 FMT B 2 >ILE~B 308 17.69 17.83 89.65 17.37 18.39 90.91 17.53 18.10 90.28 3 0 24.19 -999 ? O2 FMT B 2 >PHE~B 309 16.05 18.65 83.13 14.64 18.83 80.74 15.34 18.74 81.93 3 0 26.72 -999 ? O2 FMT B 2 >GLU~B 310 19.92 13.38 82.83 21.26 14.72 81.87 20.59 14.05 82.35 2 0 21.79 -999 ? O2 FMT B 2 >HIS~B 311 16.74 11.26 89.03 16.78 9.49 90.15 16.76 10.38 89.59 3 0 26.85 -999 ? O2 FMT B 2 >LEU~B 312 12.17 14.25 87.78 12.96 16.19 88.38 12.57 15.22 88.08 3 0 29.38 -999 ? O2 FMT B 2 >VAL~B 313 12.48 13.99 83.00 12.17 16.05 82.32 12.33 15.02 82.66 3 0 30.04 -999 ? O2 FMT B 2