[ moleculetype ] molecule_0 1 [ atoms ] 1 P6 1 GLU BB 1 0 2 Q5n 1 GLU SC1 2 -1.0 3 SP1 2 GLY BB 3 0.0 4 SP2 3 ALA BB 4 0.0 5 TC3 3 ALA SC1 5 0.0 6 P2 4 SER BB 6 0.0 7 TP1 4 SER SC1 7 0.0 8 SP1 5 GLY BB 8 0.0 9 P2 6 PHE BB 9 0.0 10 SC4 6 PHE SC1 10 0.0 11 TC5 6 PHE SC2 11 0.0 12 TC5 6 PHE SC3 12 0.0 13 P2 7 TYR BB 13 0.0 14 TC4 7 TYR SC1 14 0.0 15 TC5 7 TYR SC2 15 0.0 16 TC5 7 TYR SC3 16 0.0 17 TN6 7 TYR SC4 17 0.0 18 SP2 8 VAL BB 18 0.0 19 SC3 8 VAL SC1 19 0.0 20 P2 9 GLN BB 20 0.0 21 P5 9 GLN SC1 21 0.0 22 SP2 10 ALA BB 22 0.0 23 TC3 10 ALA SC1 23 0.0 24 P2 11 ASP BB 24 0.0 25 SQ5n 11 ASP SC1 25 -1.0 26 SP2 12 ALA BB 26 0.0 27 TC3 12 ALA SC1 27 0.0 28 SP2 13 ALA BB 28 0.0 29 TC3 13 ALA SC1 29 0.0 30 P2 14 HIS BB 30 0.0 31 TC4 14 HIS SC1 31 0.0 32 TN6d 14 HIS SC2 32 0.0 33 TN5a 14 HIS SC3 33 0.0 34 SP2 15 ALA BB 34 0.0 35 TC3 15 ALA SC1 35 0.0 36 P2 16 LYS BB 36 0.0 37 SC3 16 LYS SC1 37 0.0 38 SQ4p 16 LYS SC2 38 1.0 39 SP2 17 ALA BB 39 0.0 40 TC3 17 ALA SC1 40 0.0 41 P2 18 SER BB 41 0.0 42 TP1 18 SER SC1 42 0.0 43 P2 19 SER BB 43 0.0 44 TP1 19 SER SC1 44 0.0 45 P2 20 SER BB 45 0.0 46 TP1 20 SER SC1 46 0.0 47 P2 21 LEU BB 47 0.0 48 SC2 21 LEU SC1 48 0.0 49 SP1 22 GLY BB 49 0.0 50 P2 23 SER BB 50 0.0 51 TP1 23 SER SC1 51 0.0 52 SP2 24 ALA BB 52 0.0 53 TC3 24 ALA SC1 53 0.0 54 P2 25 LYS BB 54 0.0 55 SC3 25 LYS SC1 55 0.0 56 SQ4p 25 LYS SC2 56 1.0 57 SP1 26 GLY BB 57 0.0 58 P2 27 PHE BB 58 0.0 59 SC4 27 PHE SC1 59 0.0 60 TC5 27 PHE SC2 60 0.0 61 TC5 27 PHE SC3 61 0.0 62 P2 28 SER BB 62 0.0 63 TP1 28 SER SC1 63 0.0 64 SP2a 29 PRO BB 64 0.0 65 SC3 29 PRO SC1 65 0.0 66 P2 30 ARG BB 66 0.0 67 SC3 30 ARG SC1 67 0.0 68 SQ3p 30 ARG SC2 68 1.0 69 P2 31 ILE BB 69 0.0 70 SC2 31 ILE SC1 70 0.0 71 P2 32 SER BB 71 0.0 72 TP1 32 SER SC1 72 0.0 73 SP2 33 ALA BB 73 0.0 74 TC3 33 ALA SC1 74 0.0 75 SP1 34 GLY BB 75 0.0 76 P2 35 TYR BB 76 0.0 77 TC4 35 TYR SC1 77 0.0 78 TC5 35 TYR SC2 78 0.0 79 TC5 35 TYR SC3 79 0.0 80 TN6 35 TYR SC4 80 0.0 81 P2 36 ARG BB 81 0.0 82 SC3 36 ARG SC1 82 0.0 83 SQ3p 36 ARG SC2 83 1.0 84 P2 37 ILE BB 84 0.0 85 SC2 37 ILE SC1 85 0.0 86 P2 38 ASN BB 86 0.0 87 SP5 38 ASN SC1 87 0.0 88 P2 39 ASP BB 88 0.0 89 SQ5n 39 ASP SC1 89 -1.0 90 P2 40 LEU BB 90 0.0 91 SC2 40 LEU SC1 91 0.0 92 P2 41 ARG BB 92 0.0 93 SC3 41 ARG SC1 93 0.0 94 SQ3p 41 ARG SC2 94 1.0 95 P2 42 PHE BB 95 0.0 96 SC4 42 PHE SC1 96 0.0 97 TC5 42 PHE SC2 97 0.0 98 TC5 42 PHE SC3 98 0.0 99 SP2 43 ALA BB 99 0.0 100 TC3 43 ALA SC1 100 0.0 101 SP2 44 VAL BB 101 0.0 102 SC3 44 VAL SC1 102 0.0 103 P2 45 ASP BB 103 0.0 104 SQ5n 45 ASP SC1 104 -1.0 105 P2 46 TYR BB 105 0.0 106 TC4 46 TYR SC1 106 0.0 107 TC5 46 TYR SC2 107 0.0 108 TC5 46 TYR SC3 108 0.0 109 TN6 46 TYR SC4 109 0.0 110 P2 47 THR BB 110 0.0 111 SP1 47 THR SC1 111 0.0 112 P2 48 ARG BB 112 0.0 113 SC3 48 ARG SC1 113 0.0 114 SQ3p 48 ARG SC2 114 1.0 115 P2 49 TYR BB 115 0.0 116 TC4 49 TYR SC1 116 0.0 117 TC5 49 TYR SC2 117 0.0 118 TC5 49 TYR SC3 118 0.0 119 TN6 49 TYR SC4 119 0.0 120 P2 50 LYS BB 120 0.0 121 SC3 50 LYS SC1 121 0.0 122 SQ4p 50 LYS SC2 122 1.0 123 P2 51 ASN BB 123 0.0 124 SP5 51 ASN SC1 124 0.0 125 P2 52 TYR BB 125 0.0 126 TC4 52 TYR SC1 126 0.0 127 TC5 52 TYR SC2 127 0.0 128 TC5 52 TYR SC3 128 0.0 129 TN6 52 TYR SC4 129 0.0 130 P2 53 LYS BB 130 0.0 131 SC3 53 LYS SC1 131 0.0 132 SQ4p 53 LYS SC2 132 1.0 133 SP2 54 ALA BB 133 0.0 134 TC3 54 ALA SC1 134 0.0 135 SP2a 55 PRO BB 135 0.0 136 SC3 55 PRO SC1 136 0.0 137 P2 56 SER BB 137 0.0 138 TP1 56 SER SC1 138 0.0 139 P2 57 THR BB 139 0.0 140 SP1 57 THR SC1 140 0.0 141 P2 58 ASP BB 141 0.0 142 SQ5n 58 ASP SC1 142 -1.0 143 P2 59 PHE BB 143 0.0 144 SC4 59 PHE SC1 144 0.0 145 TC5 59 PHE SC2 145 0.0 146 TC5 59 PHE SC3 146 0.0 147 P2 60 LYS BB 147 0.0 148 SC3 60 LYS SC1 148 0.0 149 SQ4p 60 LYS SC2 149 1.0 150 P2 61 LEU BB 150 0.0 151 SC2 61 LEU SC1 151 0.0 152 P2 62 TYR BB 152 0.0 153 TC4 62 TYR SC1 153 0.0 154 TC5 62 TYR SC2 154 0.0 155 TC5 62 TYR SC3 155 0.0 156 TN6 62 TYR SC4 156 0.0 157 P2 63 SER BB 157 0.0 158 TP1 63 SER SC1 158 0.0 159 P2 64 ILE BB 159 0.0 160 SC2 64 ILE SC1 160 0.0 161 SP1 65 GLY BB 161 0.0 162 SP2 66 ALA BB 162 0.0 163 TC3 66 ALA SC1 163 0.0 164 P2 67 SER BB 164 0.0 165 TP1 67 SER SC1 165 0.0 166 SP2 68 ALA BB 166 0.0 167 TC3 68 ALA SC1 167 0.0 168 P2 69 ILE BB 168 0.0 169 SC2 69 ILE SC1 169 0.0 170 P2 70 TYR BB 170 0.0 171 TC4 70 TYR SC1 171 0.0 172 TC5 70 TYR SC2 172 0.0 173 TC5 70 TYR SC3 173 0.0 174 TN6 70 TYR SC4 174 0.0 175 P2 71 ASP BB 175 0.0 176 SQ5n 71 ASP SC1 176 -1.0 177 P2 72 PHE BB 177 0.0 178 SC4 72 PHE SC1 178 0.0 179 TC5 72 PHE SC2 179 0.0 180 TC5 72 PHE SC3 180 0.0 181 P2 73 ASP BB 181 0.0 182 SQ5n 73 ASP SC1 182 -1.0 183 P2 74 THR BB 183 0.0 184 SP1 74 THR SC1 184 0.0 185 P2 75 GLN BB 185 0.0 186 P5 75 GLN SC1 186 0.0 187 P2 76 SER BB 187 0.0 188 TP1 76 SER SC1 188 0.0 189 SP2a 77 PRO BB 189 0.0 190 SC3 77 PRO SC1 190 0.0 191 SP2 78 VAL BB 191 0.0 192 SC3 78 VAL SC1 192 0.0 193 P2 79 LYS BB 193 0.0 194 SC3 79 LYS SC1 194 0.0 195 SQ4p 79 LYS SC2 195 1.0 196 SP2a 80 PRO BB 196 0.0 197 SC3 80 PRO SC1 197 0.0 198 P2 81 TYR BB 198 0.0 199 TC4 81 TYR SC1 199 0.0 200 TC5 81 TYR SC2 200 0.0 201 TC5 81 TYR SC3 201 0.0 202 TN6 81 TYR SC4 202 0.0 203 P2 82 LEU BB 203 0.0 204 SC2 82 LEU SC1 204 0.0 205 SP1 83 GLY BB 205 0.0 206 SP2 84 ALA BB 206 0.0 207 TC3 84 ALA SC1 207 0.0 208 P2 85 ARG BB 208 0.0 209 SC3 85 ARG SC1 209 0.0 210 SQ3p 85 ARG SC2 210 1.0 211 P2 86 LEU BB 211 0.0 212 SC2 86 LEU SC1 212 0.0 213 P2 87 SER BB 213 0.0 214 TP1 87 SER SC1 214 0.0 215 P2 88 LEU BB 215 0.0 216 SC2 88 LEU SC1 216 0.0 217 P2 89 ASN BB 217 0.0 218 SP5 89 ASN SC1 218 0.0 219 P2 90 ARG BB 219 0.0 220 SC3 90 ARG SC1 220 0.0 221 SQ3p 90 ARG SC2 221 1.0 222 SP2 91 ALA BB 222 0.0 223 TC3 91 ALA SC1 223 0.0 224 P2 92 SER BB 224 0.0 225 TP1 92 SER SC1 225 0.0 226 SP2 93 VAL BB 226 0.0 227 SC3 93 VAL SC1 227 0.0 228 P2 94 ASP BB 228 0.0 229 SQ5n 94 ASP SC1 229 -1.0 230 P2 95 LEU BB 230 0.0 231 SC2 95 LEU SC1 231 0.0 232 SP1 96 GLY BB 232 0.0 233 SP1 97 GLY BB 233 0.0 234 P2 98 SER BB 234 0.0 235 TP1 98 SER SC1 235 0.0 236 P2 99 ASP BB 236 0.0 237 SQ5n 99 ASP SC1 237 -1.0 238 P2 100 SER BB 238 0.0 239 TP1 100 SER SC1 239 0.0 240 P2 101 PHE BB 240 0.0 241 SC4 101 PHE SC1 241 0.0 242 TC5 101 PHE SC2 242 0.0 243 TC5 101 PHE SC3 243 0.0 244 P2 102 SER BB 244 0.0 245 TP1 102 SER SC1 245 0.0 246 P2 103 GLN BB 246 0.0 247 P5 103 GLN SC1 247 0.0 248 P2 104 THR BB 248 0.0 249 SP1 104 THR SC1 249 0.0 250 P2 105 SER BB 250 0.0 251 TP1 105 SER SC1 251 0.0 252 P2 106 ILE BB 252 0.0 253 SC2 106 ILE SC1 253 0.0 254 SP1 107 GLY BB 254 0.0 255 P2 108 LEU BB 255 0.0 256 SC2 108 LEU SC1 256 0.0 257 SP1 109 GLY BB 257 0.0 258 SP2 110 VAL BB 258 0.0 259 SC3 110 VAL SC1 259 0.0 260 P2 111 LEU BB 260 0.0 261 SC2 111 LEU SC1 261 0.0 262 P2 112 THR BB 262 0.0 263 SP1 112 THR SC1 263 0.0 264 SP1 113 GLY BB 264 0.0 265 SP2 114 VAL BB 265 0.0 266 SC3 114 VAL SC1 266 0.0 267 P2 115 SER BB 267 0.0 268 TP1 115 SER SC1 268 0.0 269 P2 116 TYR BB 269 0.0 270 TC4 116 TYR SC1 270 0.0 271 TC5 116 TYR SC2 271 0.0 272 TC5 116 TYR SC3 272 0.0 273 TN6 116 TYR SC4 273 0.0 274 SP2 117 ALA BB 274 0.0 275 TC3 117 ALA SC1 275 0.0 276 SP2 118 VAL BB 276 0.0 277 SC3 118 VAL SC1 277 0.0 278 P2 119 THR BB 278 0.0 279 SP1 119 THR SC1 279 0.0 280 SP2a 120 PRO BB 280 0.0 281 SC3 120 PRO SC1 281 0.0 282 P2 121 ASN BB 282 0.0 283 SP5 121 ASN SC1 283 0.0 284 SP2 122 VAL BB 284 0.0 285 SC3 122 VAL SC1 285 0.0 286 P2 123 ASP BB 286 0.0 287 SQ5n 123 ASP SC1 287 -1.0 288 P2 124 LEU BB 288 0.0 289 SC2 124 LEU SC1 289 0.0 290 P2 125 ASP BB 290 0.0 291 SQ5n 125 ASP SC1 291 -1.0 292 SP2 126 ALA BB 292 0.0 293 TC3 126 ALA SC1 293 0.0 294 SP1 127 GLY BB 294 0.0 295 P2 128 TYR BB 295 0.0 296 TC4 128 TYR SC1 296 0.0 297 TC5 128 TYR SC2 297 0.0 298 TC5 128 TYR SC3 298 0.0 299 TN6 128 TYR SC4 299 0.0 300 P2 129 ARG BB 300 0.0 301 SC3 129 ARG SC1 301 0.0 302 SQ3p 129 ARG SC2 302 1.0 303 P2 130 TYR BB 303 0.0 304 TC4 130 TYR SC1 304 0.0 305 TC5 130 TYR SC2 305 0.0 306 TC5 130 TYR SC3 306 0.0 307 TN6 130 TYR SC4 307 0.0 308 P2 131 ASN BB 308 0.0 309 SP5 131 ASN SC1 309 0.0 310 P2 132 TYR BB 310 0.0 311 TC4 132 TYR SC1 311 0.0 312 TC5 132 TYR SC2 312 0.0 313 TC5 132 TYR SC3 313 0.0 314 TN6 132 TYR SC4 314 0.0 315 P2 133 ILE BB 315 0.0 316 SC2 133 ILE SC1 316 0.0 317 SP1 134 GLY BB 317 0.0 318 P2 135 LYS BB 318 0.0 319 SC3 135 LYS SC1 319 0.0 320 SQ4p 135 LYS SC2 320 1.0 321 SP2 136 VAL BB 321 0.0 322 SC3 136 VAL SC1 322 0.0 323 P2 137 ASN BB 323 0.0 324 SP5 137 ASN SC1 324 0.0 325 P2 138 THR BB 325 0.0 326 SP1 138 THR SC1 326 0.0 327 SP2 139 VAL BB 327 0.0 328 SC3 139 VAL SC1 328 0.0 329 P2 140 LYS BB 329 0.0 330 SC3 140 LYS SC1 330 0.0 331 SQ4p 140 LYS SC2 331 1.0 332 P2 141 ASN BB 332 0.0 333 SP5 141 ASN SC1 333 0.0 334 SP2 142 VAL BB 334 0.0 335 SC3 142 VAL SC1 335 0.0 336 P2 143 ARG BB 336 0.0 337 SC3 143 ARG SC1 337 0.0 338 SQ3p 143 ARG SC2 338 1.0 339 P2 144 SER BB 339 0.0 340 TP1 144 SER SC1 340 0.0 341 SP1 145 GLY BB 341 0.0 342 P2 146 GLU BB 342 0.0 343 Q5n 146 GLU SC1 343 -1.0 344 P2 147 LEU BB 344 0.0 345 SC2 147 LEU SC1 345 0.0 346 P2 148 SER BB 346 0.0 347 TP1 148 SER SC1 347 0.0 348 SP2 149 ALA BB 348 0.0 349 TC3 149 ALA SC1 349 0.0 350 SP1 150 GLY BB 350 0.0 351 SP2 151 VAL BB 351 0.0 352 SC3 151 VAL SC1 352 0.0 353 P2 152 ARG BB 353 0.0 354 SC3 152 ARG SC1 354 0.0 355 SQ3p 152 ARG SC2 355 1.0 356 SP2 153 VAL BB 356 0.0 357 SC3 153 VAL SC1 357 0.0 358 P2 154 LYS BB 358 0.0 359 SC3 154 LYS SC1 359 0.0 360 SQ4p 154 LYS SC2 360 1.0 361 P6 155 PHE BB 361 0 362 SC4 155 PHE SC1 362 0.0 363 TC5 155 PHE SC2 363 0.0 364 TC5 155 PHE SC3 364 0.0 [ position_restraints ] #ifdef POSRES 1 1 1000 1000 1000 3 1 1000 1000 1000 4 1 1000 1000 1000 6 1 1000 1000 1000 8 1 1000 1000 1000 9 1 1000 1000 1000 13 1 1000 1000 1000 18 1 1000 1000 1000 20 1 1000 1000 1000 22 1 1000 1000 1000 24 1 1000 1000 1000 26 1 1000 1000 1000 28 1 1000 1000 1000 30 1 1000 1000 1000 34 1 1000 1000 1000 36 1 1000 1000 1000 39 1 1000 1000 1000 41 1 1000 1000 1000 43 1 1000 1000 1000 45 1 1000 1000 1000 47 1 1000 1000 1000 49 1 1000 1000 1000 50 1 1000 1000 1000 52 1 1000 1000 1000 54 1 1000 1000 1000 57 1 1000 1000 1000 58 1 1000 1000 1000 62 1 1000 1000 1000 64 1 1000 1000 1000 66 1 1000 1000 1000 69 1 1000 1000 1000 71 1 1000 1000 1000 73 1 1000 1000 1000 75 1 1000 1000 1000 76 1 1000 1000 1000 81 1 1000 1000 1000 84 1 1000 1000 1000 86 1 1000 1000 1000 88 1 1000 1000 1000 90 1 1000 1000 1000 92 1 1000 1000 1000 95 1 1000 1000 1000 99 1 1000 1000 1000 101 1 1000 1000 1000 103 1 1000 1000 1000 105 1 1000 1000 1000 110 1 1000 1000 1000 112 1 1000 1000 1000 115 1 1000 1000 1000 120 1 1000 1000 1000 123 1 1000 1000 1000 125 1 1000 1000 1000 130 1 1000 1000 1000 133 1 1000 1000 1000 135 1 1000 1000 1000 137 1 1000 1000 1000 139 1 1000 1000 1000 141 1 1000 1000 1000 143 1 1000 1000 1000 147 1 1000 1000 1000 150 1 1000 1000 1000 152 1 1000 1000 1000 157 1 1000 1000 1000 159 1 1000 1000 1000 161 1 1000 1000 1000 162 1 1000 1000 1000 164 1 1000 1000 1000 166 1 1000 1000 1000 168 1 1000 1000 1000 170 1 1000 1000 1000 175 1 1000 1000 1000 177 1 1000 1000 1000 181 1 1000 1000 1000 183 1 1000 1000 1000 185 1 1000 1000 1000 187 1 1000 1000 1000 189 1 1000 1000 1000 191 1 1000 1000 1000 193 1 1000 1000 1000 196 1 1000 1000 1000 198 1 1000 1000 1000 203 1 1000 1000 1000 205 1 1000 1000 1000 206 1 1000 1000 1000 208 1 1000 1000 1000 211 1 1000 1000 1000 213 1 1000 1000 1000 215 1 1000 1000 1000 217 1 1000 1000 1000 219 1 1000 1000 1000 222 1 1000 1000 1000 224 1 1000 1000 1000 226 1 1000 1000 1000 228 1 1000 1000 1000 230 1 1000 1000 1000 232 1 1000 1000 1000 233 1 1000 1000 1000 234 1 1000 1000 1000 236 1 1000 1000 1000 238 1 1000 1000 1000 240 1 1000 1000 1000 244 1 1000 1000 1000 246 1 1000 1000 1000 248 1 1000 1000 1000 250 1 1000 1000 1000 252 1 1000 1000 1000 254 1 1000 1000 1000 255 1 1000 1000 1000 257 1 1000 1000 1000 258 1 1000 1000 1000 260 1 1000 1000 1000 262 1 1000 1000 1000 264 1 1000 1000 1000 265 1 1000 1000 1000 267 1 1000 1000 1000 269 1 1000 1000 1000 274 1 1000 1000 1000 276 1 1000 1000 1000 278 1 1000 1000 1000 280 1 1000 1000 1000 282 1 1000 1000 1000 284 1 1000 1000 1000 286 1 1000 1000 1000 288 1 1000 1000 1000 290 1 1000 1000 1000 292 1 1000 1000 1000 294 1 1000 1000 1000 295 1 1000 1000 1000 300 1 1000 1000 1000 303 1 1000 1000 1000 308 1 1000 1000 1000 310 1 1000 1000 1000 315 1 1000 1000 1000 317 1 1000 1000 1000 318 1 1000 1000 1000 321 1 1000 1000 1000 323 1 1000 1000 1000 325 1 1000 1000 1000 327 1 1000 1000 1000 329 1 1000 1000 1000 332 1 1000 1000 1000 334 1 1000 1000 1000 336 1 1000 1000 1000 339 1 1000 1000 1000 341 1 1000 1000 1000 342 1 1000 1000 1000 344 1 1000 1000 1000 346 1 1000 1000 1000 348 1 1000 1000 1000 350 1 1000 1000 1000 351 1 1000 1000 1000 353 1 1000 1000 1000 356 1 1000 1000 1000 358 1 1000 1000 1000 361 1 1000 1000 1000 #endif [ bonds ] ; Backbone bonds 1 3 1 0.350 4000 3 4 1 0.350 4000 4 6 1 0.350 4000 6 8 1 0.350 4000 8 9 1 0.350 4000 9 13 1 0.350 4000 13 18 1 0.350 4000 18 20 1 0.350 4000 20 22 1 0.350 4000 22 24 1 0.350 4000 24 26 1 0.350 4000 26 28 1 0.350 4000 28 30 1 0.350 4000 30 34 1 0.350 4000 34 36 1 0.350 4000 36 39 1 0.350 4000 39 41 1 0.350 4000 41 43 1 0.350 4000 43 45 1 0.350 4000 45 47 1 0.350 4000 47 49 1 0.350 4000 49 50 1 0.350 4000 50 52 1 0.350 4000 52 54 1 0.350 4000 54 57 1 0.350 4000 57 58 1 0.350 4000 58 62 1 0.350 4000 62 64 1 0.350 4000 64 66 1 0.350 4000 66 69 1 0.350 4000 69 71 1 0.350 4000 71 73 1 0.350 4000 73 75 1 0.350 4000 75 76 1 0.350 4000 76 81 1 0.350 4000 81 84 1 0.350 4000 84 86 1 0.350 4000 86 88 1 0.350 4000 88 90 1 0.350 4000 90 92 1 0.350 4000 92 95 1 0.350 4000 95 99 1 0.350 4000 99 101 1 0.350 4000 101 103 1 0.350 4000 103 105 1 0.350 4000 105 110 1 0.350 4000 110 112 1 0.350 4000 112 115 1 0.350 4000 115 120 1 0.350 4000 120 123 1 0.350 4000 123 125 1 0.350 4000 125 130 1 0.350 4000 130 133 1 0.350 4000 133 135 1 0.350 4000 135 137 1 0.350 4000 137 139 1 0.350 4000 139 141 1 0.350 4000 141 143 1 0.350 4000 143 147 1 0.350 4000 147 150 1 0.350 4000 150 152 1 0.350 4000 152 157 1 0.350 4000 157 159 1 0.350 4000 159 161 1 0.350 4000 161 162 1 0.350 4000 162 164 1 0.350 4000 164 166 1 0.350 4000 166 168 1 0.350 4000 168 170 1 0.350 4000 170 175 1 0.350 4000 175 177 1 0.350 4000 177 181 1 0.350 4000 181 183 1 0.350 4000 183 185 1 0.350 4000 185 187 1 0.350 4000 187 189 1 0.350 4000 189 191 1 0.350 4000 191 193 1 0.350 4000 193 196 1 0.350 4000 196 198 1 0.350 4000 198 203 1 0.350 4000 203 205 1 0.350 4000 205 206 1 0.350 4000 206 208 1 0.350 4000 208 211 1 0.350 4000 211 213 1 0.350 4000 213 215 1 0.350 4000 215 217 1 0.350 4000 217 219 1 0.350 4000 219 222 1 0.350 4000 222 224 1 0.350 4000 224 226 1 0.350 4000 226 228 1 0.350 4000 228 230 1 0.350 4000 230 232 1 0.350 4000 232 233 1 0.350 4000 233 234 1 0.350 4000 234 236 1 0.350 4000 236 238 1 0.350 4000 238 240 1 0.350 4000 240 244 1 0.350 4000 244 246 1 0.350 4000 246 248 1 0.350 4000 248 250 1 0.350 4000 250 252 1 0.350 4000 252 254 1 0.350 4000 254 255 1 0.350 4000 255 257 1 0.350 4000 257 258 1 0.350 4000 258 260 1 0.350 4000 260 262 1 0.350 4000 262 264 1 0.350 4000 264 265 1 0.350 4000 265 267 1 0.350 4000 267 269 1 0.350 4000 269 274 1 0.350 4000 274 276 1 0.350 4000 276 278 1 0.350 4000 278 280 1 0.350 4000 280 282 1 0.350 4000 282 284 1 0.350 4000 284 286 1 0.350 4000 286 288 1 0.350 4000 288 290 1 0.350 4000 290 292 1 0.350 4000 292 294 1 0.350 4000 294 295 1 0.350 4000 295 300 1 0.350 4000 300 303 1 0.350 4000 303 308 1 0.350 4000 308 310 1 0.350 4000 310 315 1 0.350 4000 315 317 1 0.350 4000 317 318 1 0.350 4000 318 321 1 0.350 4000 321 323 1 0.350 4000 323 325 1 0.350 4000 325 327 1 0.350 4000 327 329 1 0.350 4000 329 332 1 0.350 4000 332 334 1 0.350 4000 334 336 1 0.350 4000 336 339 1 0.350 4000 339 341 1 0.350 4000 341 342 1 0.350 4000 342 344 1 0.350 4000 344 346 1 0.350 4000 346 348 1 0.350 4000 348 350 1 0.350 4000 350 351 1 0.350 4000 351 353 1 0.350 4000 353 356 1 0.350 4000 356 358 1 0.350 4000 358 361 1 0.350 4000 ; Side chain bonds 1 2 1 0.400 5000 6 7 1 0.287 7500 9 10 1 0.325 7500 13 14 1 0.325 5000 20 21 1 0.400 5000 24 25 1 0.352 7500 30 31 1 0.336 7500 36 37 1 0.330 5000 37 38 1 0.360 5000 41 42 1 0.287 7500 43 44 1 0.287 7500 45 46 1 0.287 7500 47 48 1 0.363 7500 50 51 1 0.287 7500 54 55 1 0.330 5000 55 56 1 0.360 5000 58 59 1 0.325 7500 62 63 1 0.287 7500 64 65 1 0.330 7500 66 67 1 0.330 5000 67 68 1 0.380 5000 71 72 1 0.287 7500 76 77 1 0.325 5000 81 82 1 0.330 5000 82 83 1 0.380 5000 86 87 1 0.352 5000 88 89 1 0.352 7500 90 91 1 0.363 7500 92 93 1 0.330 5000 93 94 1 0.380 5000 95 96 1 0.325 7500 103 104 1 0.352 7500 105 106 1 0.325 5000 112 113 1 0.330 5000 113 114 1 0.380 5000 115 116 1 0.325 5000 120 121 1 0.330 5000 121 122 1 0.360 5000 123 124 1 0.352 5000 125 126 1 0.325 5000 130 131 1 0.330 5000 131 132 1 0.360 5000 135 136 1 0.330 7500 137 138 1 0.287 7500 141 142 1 0.352 7500 143 144 1 0.325 7500 147 148 1 0.330 5000 148 149 1 0.360 5000 150 151 1 0.363 7500 152 153 1 0.325 5000 157 158 1 0.287 7500 164 165 1 0.287 7500 170 171 1 0.325 5000 175 176 1 0.352 7500 177 178 1 0.325 7500 181 182 1 0.352 7500 185 186 1 0.400 5000 187 188 1 0.287 7500 189 190 1 0.330 7500 193 194 1 0.330 5000 194 195 1 0.360 5000 196 197 1 0.330 7500 198 199 1 0.325 5000 203 204 1 0.363 7500 208 209 1 0.330 5000 209 210 1 0.380 5000 211 212 1 0.363 7500 213 214 1 0.287 7500 215 216 1 0.363 7500 217 218 1 0.352 5000 219 220 1 0.330 5000 220 221 1 0.380 5000 224 225 1 0.287 7500 228 229 1 0.352 7500 230 231 1 0.363 7500 234 235 1 0.287 7500 236 237 1 0.352 7500 238 239 1 0.287 7500 240 241 1 0.325 7500 244 245 1 0.287 7500 246 247 1 0.400 5000 250 251 1 0.287 7500 255 256 1 0.363 7500 260 261 1 0.363 7500 267 268 1 0.287 7500 269 270 1 0.325 5000 280 281 1 0.330 7500 282 283 1 0.352 5000 286 287 1 0.352 7500 288 289 1 0.363 7500 290 291 1 0.352 7500 295 296 1 0.325 5000 300 301 1 0.330 5000 301 302 1 0.380 5000 303 304 1 0.325 5000 308 309 1 0.352 5000 310 311 1 0.325 5000 318 319 1 0.330 5000 319 320 1 0.360 5000 323 324 1 0.352 5000 329 330 1 0.330 5000 330 331 1 0.360 5000 332 333 1 0.352 5000 336 337 1 0.330 5000 337 338 1 0.380 5000 339 340 1 0.287 7500 342 343 1 0.400 5000 344 345 1 0.363 7500 346 347 1 0.287 7500 353 354 1 0.330 5000 354 355 1 0.380 5000 358 359 1 0.330 5000 359 360 1 0.360 5000 361 362 1 0.325 7500 #ifdef FLEXIBLE ; Side chain bonds 4 5 1 0.270 1000000 10 11 1 0.340 1000000 10 12 1 0.340 1000000 11 12 1 0.290 1000000 14 15 1 0.300 1000000 14 16 1 0.300 1000000 15 17 1 0.285 1000000 16 17 1 0.285 1000000 15 16 1 0.300 1000000 18 19 1 0.292 1000000 22 23 1 0.270 1000000 26 27 1 0.270 1000000 28 29 1 0.270 1000000 31 32 1 0.320 1000000 31 33 1 0.300 1000000 32 33 1 0.270 1000000 34 35 1 0.270 1000000 39 40 1 0.270 1000000 52 53 1 0.270 1000000 59 60 1 0.340 1000000 59 61 1 0.340 1000000 60 61 1 0.290 1000000 69 70 1 0.341 1000000 73 74 1 0.270 1000000 77 78 1 0.300 1000000 77 79 1 0.300 1000000 78 80 1 0.285 1000000 79 80 1 0.285 1000000 78 79 1 0.300 1000000 84 85 1 0.341 1000000 96 97 1 0.340 1000000 96 98 1 0.340 1000000 97 98 1 0.290 1000000 99 100 1 0.270 1000000 101 102 1 0.292 1000000 106 107 1 0.300 1000000 106 108 1 0.300 1000000 107 109 1 0.285 1000000 108 109 1 0.285 1000000 107 108 1 0.300 1000000 110 111 1 0.305 1000000 116 117 1 0.300 1000000 116 118 1 0.300 1000000 117 119 1 0.285 1000000 118 119 1 0.285 1000000 117 118 1 0.300 1000000 126 127 1 0.300 1000000 126 128 1 0.300 1000000 127 129 1 0.285 1000000 128 129 1 0.285 1000000 127 128 1 0.300 1000000 133 134 1 0.270 1000000 139 140 1 0.305 1000000 144 145 1 0.340 1000000 144 146 1 0.340 1000000 145 146 1 0.290 1000000 153 154 1 0.300 1000000 153 155 1 0.300 1000000 154 156 1 0.285 1000000 155 156 1 0.285 1000000 154 155 1 0.300 1000000 159 160 1 0.341 1000000 162 163 1 0.270 1000000 166 167 1 0.270 1000000 168 169 1 0.341 1000000 171 172 1 0.300 1000000 171 173 1 0.300 1000000 172 174 1 0.285 1000000 173 174 1 0.285 1000000 172 173 1 0.300 1000000 178 179 1 0.340 1000000 178 180 1 0.340 1000000 179 180 1 0.290 1000000 183 184 1 0.305 1000000 191 192 1 0.292 1000000 199 200 1 0.300 1000000 199 201 1 0.300 1000000 200 202 1 0.285 1000000 201 202 1 0.285 1000000 200 201 1 0.300 1000000 206 207 1 0.270 1000000 222 223 1 0.270 1000000 226 227 1 0.292 1000000 241 242 1 0.340 1000000 241 243 1 0.340 1000000 242 243 1 0.290 1000000 248 249 1 0.305 1000000 252 253 1 0.341 1000000 258 259 1 0.292 1000000 262 263 1 0.305 1000000 265 266 1 0.292 1000000 270 271 1 0.300 1000000 270 272 1 0.300 1000000 271 273 1 0.285 1000000 272 273 1 0.285 1000000 271 272 1 0.300 1000000 274 275 1 0.270 1000000 276 277 1 0.292 1000000 278 279 1 0.305 1000000 284 285 1 0.292 1000000 292 293 1 0.270 1000000 296 297 1 0.300 1000000 296 298 1 0.300 1000000 297 299 1 0.285 1000000 298 299 1 0.285 1000000 297 298 1 0.300 1000000 304 305 1 0.300 1000000 304 306 1 0.300 1000000 305 307 1 0.285 1000000 306 307 1 0.285 1000000 305 306 1 0.300 1000000 311 312 1 0.300 1000000 311 313 1 0.300 1000000 312 314 1 0.285 1000000 313 314 1 0.285 1000000 312 313 1 0.300 1000000 315 316 1 0.341 1000000 321 322 1 0.292 1000000 325 326 1 0.305 1000000 327 328 1 0.292 1000000 334 335 1 0.292 1000000 348 349 1 0.270 1000000 351 352 1 0.292 1000000 356 357 1 0.292 1000000 362 363 1 0.340 1000000 362 364 1 0.340 1000000 363 364 1 0.290 1000000 #endif [ constraints ] #ifndef FLEXIBLE ; Side chain bonds 4 5 1 0.270 10 11 1 0.340 10 12 1 0.340 11 12 1 0.290 14 15 1 0.300 14 16 1 0.300 15 17 1 0.285 16 17 1 0.285 15 16 1 0.300 18 19 1 0.292 22 23 1 0.270 26 27 1 0.270 28 29 1 0.270 31 32 1 0.320 31 33 1 0.300 32 33 1 0.270 34 35 1 0.270 39 40 1 0.270 52 53 1 0.270 59 60 1 0.340 59 61 1 0.340 60 61 1 0.290 69 70 1 0.341 73 74 1 0.270 77 78 1 0.300 77 79 1 0.300 78 80 1 0.285 79 80 1 0.285 78 79 1 0.300 84 85 1 0.341 96 97 1 0.340 96 98 1 0.340 97 98 1 0.290 99 100 1 0.270 101 102 1 0.292 106 107 1 0.300 106 108 1 0.300 107 109 1 0.285 108 109 1 0.285 107 108 1 0.300 110 111 1 0.305 116 117 1 0.300 116 118 1 0.300 117 119 1 0.285 118 119 1 0.285 117 118 1 0.300 126 127 1 0.300 126 128 1 0.300 127 129 1 0.285 128 129 1 0.285 127 128 1 0.300 133 134 1 0.270 139 140 1 0.305 144 145 1 0.340 144 146 1 0.340 145 146 1 0.290 153 154 1 0.300 153 155 1 0.300 154 156 1 0.285 155 156 1 0.285 154 155 1 0.300 159 160 1 0.341 162 163 1 0.270 166 167 1 0.270 168 169 1 0.341 171 172 1 0.300 171 173 1 0.300 172 174 1 0.285 173 174 1 0.285 172 173 1 0.300 178 179 1 0.340 178 180 1 0.340 179 180 1 0.290 183 184 1 0.305 191 192 1 0.292 199 200 1 0.300 199 201 1 0.300 200 202 1 0.285 201 202 1 0.285 200 201 1 0.300 206 207 1 0.270 222 223 1 0.270 226 227 1 0.292 241 242 1 0.340 241 243 1 0.340 242 243 1 0.290 248 249 1 0.305 252 253 1 0.341 258 259 1 0.292 262 263 1 0.305 265 266 1 0.292 270 271 1 0.300 270 272 1 0.300 271 273 1 0.285 272 273 1 0.285 271 272 1 0.300 274 275 1 0.270 276 277 1 0.292 278 279 1 0.305 284 285 1 0.292 292 293 1 0.270 296 297 1 0.300 296 298 1 0.300 297 299 1 0.285 298 299 1 0.285 297 298 1 0.300 304 305 1 0.300 304 306 1 0.300 305 307 1 0.285 306 307 1 0.285 305 306 1 0.300 311 312 1 0.300 311 313 1 0.300 312 314 1 0.285 313 314 1 0.285 312 313 1 0.300 315 316 1 0.341 321 322 1 0.292 325 326 1 0.305 327 328 1 0.292 334 335 1 0.292 348 349 1 0.270 351 352 1 0.292 356 357 1 0.292 362 363 1 0.340 362 364 1 0.340 363 364 1 0.290 #endif [ angles ] ; BBB angles 3 4 6 10 127 20 4 6 8 10 127 20 6 8 9 10 134 25 8 9 13 10 134 25 9 13 18 10 134 25 13 18 20 10 134 25 18 20 22 10 134 25 20 22 24 10 134 25 22 24 26 10 134 25 24 26 28 10 134 25 26 28 30 10 134 25 28 30 34 10 134 25 30 34 36 10 134 25 34 36 39 10 134 25 36 39 41 10 134 25 39 41 43 10 127 20 41 43 45 10 127 20 47 49 50 10 127 20 49 50 52 10 127 20 50 52 54 10 134 25 52 54 57 10 134 25 54 57 58 10 134 25 57 58 62 10 127 20 58 62 64 10 127 20 62 64 66 10 127 20 64 66 69 10 127 25 66 69 71 10 134 25 69 71 73 10 134 25 71 73 75 10 134 25 73 75 76 10 134 25 75 76 81 10 134 25 76 81 84 10 134 25 81 84 86 10 100 20 84 86 88 10 100 20 86 88 90 10 100 20 88 90 92 10 100 20 90 92 95 10 134 25 92 95 99 10 134 25 95 99 101 10 134 25 99 101 103 10 134 25 101 103 105 10 134 25 103 105 110 10 134 25 105 110 112 10 134 25 110 112 115 10 134 25 112 115 120 10 134 25 115 120 123 10 134 25 120 123 125 10 130 20 123 125 130 10 130 20 141 143 147 10 127 20 143 147 150 10 127 20 147 150 152 10 134 25 150 152 157 10 134 25 152 157 159 10 134 25 157 159 161 10 134 25 159 161 162 10 134 25 161 162 164 10 134 25 162 164 166 10 134 25 164 166 168 10 134 25 166 168 170 10 134 25 168 170 175 10 134 25 170 175 177 10 127 20 175 177 181 10 127 20 187 189 191 10 130 20 189 191 193 10 130 20 191 193 196 10 134 25 193 196 198 10 134 25 196 198 203 10 134 25 198 203 205 10 134 25 203 205 206 10 134 25 205 206 208 10 134 25 206 208 211 10 134 25 208 211 213 10 134 25 211 213 215 10 134 25 213 215 217 10 134 25 215 217 219 10 134 25 217 219 222 10 134 25 219 222 224 10 134 25 222 224 226 10 134 25 224 226 228 10 134 25 226 228 230 10 134 25 228 230 232 10 100 20 230 232 233 10 100 20 232 233 234 10 100 20 233 234 236 10 100 20 234 236 238 10 134 25 236 238 240 10 134 25 238 240 244 10 127 20 240 244 246 10 127 20 246 248 250 10 127 20 248 250 252 10 127 20 250 252 254 10 134 25 252 254 255 10 134 25 254 255 257 10 134 25 255 257 258 10 134 25 257 258 260 10 134 25 258 260 262 10 134 25 260 262 264 10 134 25 262 264 265 10 134 25 264 265 267 10 134 25 265 267 269 10 134 25 267 269 274 10 134 25 269 274 276 10 134 25 274 276 278 10 134 25 276 278 280 10 100 25 278 280 282 10 100 20 280 282 284 10 100 20 282 284 286 10 100 20 284 286 288 10 134 25 286 288 290 10 134 25 288 290 292 10 134 25 290 292 294 10 134 25 292 294 295 10 134 25 294 295 300 10 134 25 295 300 303 10 134 25 300 303 308 10 134 25 303 308 310 10 134 25 308 310 315 10 134 25 310 315 317 10 134 25 315 317 318 10 134 25 317 318 321 10 134 25 318 321 323 10 100 20 321 323 325 10 100 20 323 325 327 10 100 20 325 327 329 10 100 20 327 329 332 10 134 25 329 332 334 10 134 25 332 334 336 10 134 25 334 336 339 10 134 25 336 339 341 10 134 25 339 341 342 10 134 25 341 342 344 10 134 25 342 344 346 10 134 25 344 346 348 10 134 25 346 348 350 10 134 25 348 350 351 10 134 25 350 351 353 10 134 25 351 353 356 10 134 25 353 356 358 10 134 25 356 358 361 10 127 20 185 187 189 10 130 20 130 133 135 10 127 20 133 135 137 10 127 20 135 137 139 10 130 20 43 45 47 10 127 20 45 47 49 10 127 20 125 130 133 10 127 20 137 139 141 10 127 20 139 141 143 10 127 20 181 183 185 10 127 20 183 185 187 10 127 20 1 3 4 10 127 20 177 181 183 10 127 20 244 246 248 10 127 20 ; BBS angles regular martini 3 4 5 2 100 25 4 6 7 2 100 25 8 9 10 2 100 25 9 13 14 2 100 25 13 18 19 2 100 25 18 20 21 2 100 25 20 22 23 2 100 25 22 24 25 2 100 25 24 26 27 2 100 25 26 28 29 2 100 25 28 30 31 2 100 25 30 34 35 2 100 25 34 36 37 2 100 25 36 39 40 2 100 25 39 41 42 2 100 25 41 43 44 2 100 25 43 45 46 2 100 25 45 47 48 2 100 25 49 50 51 2 100 25 50 52 53 2 100 25 52 54 55 2 100 25 57 58 59 2 100 25 58 62 63 2 100 25 62 64 65 2 100 25 64 66 67 2 100 25 66 69 70 2 100 25 69 71 72 2 100 25 71 73 74 2 100 25 75 76 77 2 100 25 76 81 82 2 100 25 81 84 85 2 100 25 84 86 87 2 100 25 86 88 89 2 100 25 88 90 91 2 100 25 90 92 93 2 100 25 92 95 96 2 100 25 95 99 100 2 100 25 99 101 102 2 100 25 101 103 104 2 100 25 103 105 106 2 100 25 105 110 111 2 100 25 110 112 113 2 100 25 112 115 116 2 100 25 115 120 121 2 100 25 120 123 124 2 100 25 123 125 126 2 100 25 125 130 131 2 100 25 130 133 134 2 100 25 133 135 136 2 100 25 135 137 138 2 100 25 137 139 140 2 100 25 139 141 142 2 100 25 141 143 144 2 100 25 143 147 148 2 100 25 147 150 151 2 100 25 150 152 153 2 100 25 152 157 158 2 100 25 157 159 160 2 100 25 161 162 163 2 100 25 162 164 165 2 100 25 164 166 167 2 100 25 166 168 169 2 100 25 168 170 171 2 100 25 170 175 176 2 100 25 175 177 178 2 100 25 177 181 182 2 100 25 181 183 184 2 100 25 183 185 186 2 100 25 185 187 188 2 100 25 187 189 190 2 100 25 189 191 192 2 100 25 191 193 194 2 100 25 193 196 197 2 100 25 196 198 199 2 100 25 198 203 204 2 100 25 205 206 207 2 100 25 206 208 209 2 100 25 208 211 212 2 100 25 211 213 214 2 100 25 213 215 216 2 100 25 215 217 218 2 100 25 217 219 220 2 100 25 219 222 223 2 100 25 222 224 225 2 100 25 224 226 227 2 100 25 226 228 229 2 100 25 228 230 231 2 100 25 233 234 235 2 100 25 234 236 237 2 100 25 236 238 239 2 100 25 238 240 241 2 100 25 240 244 245 2 100 25 244 246 247 2 100 25 246 248 249 2 100 25 248 250 251 2 100 25 250 252 253 2 100 25 254 255 256 2 100 25 257 258 259 2 100 25 258 260 261 2 100 25 260 262 263 2 100 25 264 265 266 2 100 25 265 267 268 2 100 25 267 269 270 2 100 25 269 274 275 2 100 25 274 276 277 2 100 25 276 278 279 2 100 25 278 280 281 2 100 25 280 282 283 2 100 25 282 284 285 2 100 25 284 286 287 2 100 25 286 288 289 2 100 25 288 290 291 2 100 25 290 292 293 2 100 25 294 295 296 2 100 25 295 300 301 2 100 25 300 303 304 2 100 25 303 308 309 2 100 25 308 310 311 2 100 25 310 315 316 2 100 25 317 318 319 2 100 25 318 321 322 2 100 25 321 323 324 2 100 25 323 325 326 2 100 25 325 327 328 2 100 25 327 329 330 2 100 25 329 332 333 2 100 25 332 334 335 2 100 25 334 336 337 2 100 25 336 339 340 2 100 25 341 342 343 2 100 25 342 344 345 2 100 25 344 346 347 2 100 25 346 348 349 2 100 25 350 351 352 2 100 25 351 353 354 2 100 25 353 356 357 2 100 25 356 358 359 2 100 25 358 361 362 2 100 25 ; First SBB regular martini 2 1 3 2 100 25 ; Side chain angles 9 10 11 2 120.000 50.0 9 10 12 2 120.000 50.0 13 14 15 2 120.000 60.0 13 14 16 2 120.000 60.0 30 31 32 2 120.000 50.0 30 31 33 2 120.000 50.0 36 37 38 2 180.000 25.0 54 55 56 2 180.000 25.0 58 59 60 2 120.000 50.0 58 59 61 2 120.000 50.0 66 67 68 2 180.000 25.0 76 77 78 2 120.000 60.0 76 77 79 2 120.000 60.0 81 82 83 2 180.000 25.0 92 93 94 2 180.000 25.0 95 96 97 2 120.000 50.0 95 96 98 2 120.000 50.0 105 106 107 2 120.000 60.0 105 106 108 2 120.000 60.0 112 113 114 2 180.000 25.0 115 116 117 2 120.000 60.0 115 116 118 2 120.000 60.0 120 121 122 2 180.000 25.0 125 126 127 2 120.000 60.0 125 126 128 2 120.000 60.0 130 131 132 2 180.000 25.0 143 144 145 2 120.000 50.0 143 144 146 2 120.000 50.0 147 148 149 2 180.000 25.0 152 153 154 2 120.000 60.0 152 153 155 2 120.000 60.0 170 171 172 2 120.000 60.0 170 171 173 2 120.000 60.0 177 178 179 2 120.000 50.0 177 178 180 2 120.000 50.0 193 194 195 2 180.000 25.0 198 199 200 2 120.000 60.0 198 199 201 2 120.000 60.0 208 209 210 2 180.000 25.0 219 220 221 2 180.000 25.0 240 241 242 2 120.000 50.0 240 241 243 2 120.000 50.0 269 270 271 2 120.000 60.0 269 270 272 2 120.000 60.0 295 296 297 2 120.000 60.0 295 296 298 2 120.000 60.0 300 301 302 2 180.000 25.0 303 304 305 2 120.000 60.0 303 304 306 2 120.000 60.0 310 311 312 2 120.000 60.0 310 311 313 2 120.000 60.0 318 319 320 2 180.000 25.0 329 330 331 2 180.000 25.0 336 337 338 2 180.000 25.0 353 354 355 2 180.000 25.0 358 359 360 2 180.000 25.0 361 362 363 2 120.000 50.0 361 362 364 2 120.000 50.0 [ exclusions ] 9 10 11 12 10 11 12 11 12 13 14 15 16 17 14 15 16 17 15 16 17 16 17 30 31 32 33 31 32 33 32 33 58 59 60 61 59 60 61 60 61 76 77 78 79 80 77 78 79 80 78 79 80 79 80 95 96 97 98 96 97 98 97 98 105 106 107 108 109 106 107 108 109 107 108 109 108 109 115 116 117 118 119 116 117 118 119 117 118 119 118 119 125 126 127 128 129 126 127 128 129 127 128 129 128 129 143 144 145 146 144 145 146 145 146 152 153 154 155 156 153 154 155 156 154 155 156 155 156 170 171 172 173 174 171 172 173 174 172 173 174 173 174 177 178 179 180 178 179 180 179 180 198 199 200 201 202 199 200 201 202 200 201 202 201 202 240 241 242 243 241 242 243 242 243 269 270 271 272 273 270 271 272 273 271 272 273 272 273 295 296 297 298 299 296 297 298 299 297 298 299 298 299 303 304 305 306 307 304 305 306 307 305 306 307 306 307 310 311 312 313 314 311 312 313 314 312 313 314 313 314 361 362 363 364 362 363 364 363 364 [ dihedrals ] 17 15 16 14 2 180.0 50.0 80 78 79 77 2 180.0 50.0 109 107 108 106 2 180.0 50.0 119 117 118 116 2 180.0 50.0 129 127 128 126 2 180.0 50.0 156 154 155 153 2 180.0 50.0 174 172 173 171 2 180.0 50.0 202 200 201 199 2 180.0 50.0 273 271 272 270 2 180.0 50.0 299 297 298 296 2 180.0 50.0 307 305 306 304 2 180.0 50.0 314 312 313 311 2 180.0 50.0