File shelxl.dic - dictionary of SHELXL standard restraints etc. for peptides and proteins. The appropriate instructions may be copied to the .ins file using a text editor or more automatically using the program PDBINS, which also converts PDB files to SHELXL .ins files. SHELXL users are encouraged to retain this file as a model for their own 'dictionary' files, which should be assigned different names.
REM Restraints, RTAB and HFIX instructions taken from file shelxl.dic
REM DFIX from CSD and R.A.Engh and R.Huber, Acta Cryst., A47 (1991) 392.
REM Extra SAME/SADI restraints may be needed for C-terminus and disorder.
REM Extra HFIX may be needed before other HFIX for N-terminal NH3+ etc.
RTAB_* Omeg CA_- C_- N CA
RTAB_* Phi C_- N CA C
RTAB_* Psi N CA C N_+
RTAB_* Cvol CA
DFIX_* 1.329 C_- N
DFIX_* 2.425 CA_- N
DFIX_* 2.250 O_- N
DFIX_* 2.435 C_- CA
FLAT_* 0.3 O_- CA_- N C_- CA
HFIX_ACE 33 CA
CHIV_ACE C
DFIX_ACE 1.497 C CA
DFIX_ACE 1.237 C O
DFIX_ACE 2.394 CA O
HFIX_AIB 43 N
HFIX_AIB 33 CB1 CB2
CHIV_AIB C
DFIX_AIB 1.231 C O
DFIX_AIB 1.525 C CA
DFIX_AIB 1.533 CA CB1 CA CB2
DFIX_AIB 1.458 CA N
DFIX_AIB 2.479 C N
DFIX_AIB 2.495 C CB1 C CB2
DFIX_AIB 2.444 N CB1 N CB2
DFIX_AIB 2.515 CB1 CB2
DFIX_AIB 2.401 CA O
HFIX_ALA 43 N
HFIX_ALA 13 CA
HFIX_ALA 33 CB
CHIV_ALA C
DFIX_ALA 1.231 C O
DFIX_ALA 1.525 C CA
DFIX_ALA 1.521 CA CB
DFIX_ALA 1.458 N CA
DFIX_ALA 2.462 C N
DFIX_ALA 2.401 O CA
DFIX_ALA 2.503 C CB
DFIX_ALA 2.446 CB N
HFIX_ARG 13 CA
HFIX_ARG 23 CB CG CD
HFIX_ARG 43 N NE
HFIX_ARG 93 NH1 NH2
RTAB_ARG Chi N CA CB CG
CHIV_ARG C CZ
DFIX_ARG 1.231 C O
DFIX_ARG 1.458 CA N
DFIX_ARG 1.525 C CA
DFIX_ARG 1.530 CA CB
DFIX_ARG 1.520 CB CG CG CD
DFIX_ARG 1.460 CD NE
DFIX_ARG 1.326 CZ NE CZ NH1 CZ NH2
DFIX_ARG 2.455 N CB
DFIX_ARG 2.401 O CA
DFIX_ARG 2.504 C CB
DFIX_ARG 2.462 C N
DFIX_ARG 2.559 CA CG
DFIX_ARG 2.510 CB CD
DFIX_ARG 2.471 CG NE
DFIX_ARG 2.466 CD CZ
DFIX_ARG 2.299 NE NH1 NE NH2
DFIX_ARG 2.293 NH1 NH2
HFIX_ASN 43 N
HFIX_ASN 13 CA
HFIX_ASN 23 CB
HFIX_ASN 93 ND2
RTAB_ASN Chi N CA CB CG
CHIV_ASN C CG
DFIX_ASN 1.231 C O CG OD1
DFIX_ASN 1.525 C CA
DFIX_ASN 1.458 N CA
DFIX_ASN 1.530 CA CB
DFIX_ASN 1.516 CB CG
DFIX_ASN 1.328 CG ND2
DFIX_ASN 2.401 O CA
DFIX_ASN 2.462 C N
DFIX_ASN 2.455 CB N
DFIX_ASN 2.504 C CB
DFIX_ASN 2.534 CA CG
DFIX_ASN 2.393 CB OD1
DFIX_ASN 2.419 CB ND2
DFIX_ASN 2.245 OD1 ND2
HFIX_ASP 43 N
HFIX_ASP 13 CA
HFIX_ASP 23 CB
RTAB_ASP Chi N CA CB CG
CHIV_ASP C CG
DFIX_ASP 1.231 C O
DFIX_ASP 1.525 C CA
DFIX_ASP 1.530 CA CB
DFIX_ASP 1.516 CB CG
DFIX_ASP 1.458 CA N
DFIX_ASP 1.249 CG OD1 CG OD2
DFIX_ASP 2.401 O CA
DFIX_ASP 2.462 C N
DFIX_ASP 2.455 CB N
DFIX_ASP 2.504 C CB
DFIX_ASP 2.534 CA CG
DFIX_ASP 2.379 CB OD1 CB OD2
DFIX_ASP 2.194 OD1 OD2
HFIX_BOC 33 CG1 CG2 CG3
CHIV_BOC C
DFIX_BOC 1.511 CB CG1 CB CG2 CB CG3
DFIX_BOC 1.474 OA CB
DFIX_BOC 1.341 C OA
DFIX_BOC 1.217 C O
DFIX_BOC 2.402 OA CG1 OA CG2 OA CG3
DFIX_BOC 2.454 C CB
DFIX_BOC 2.276 O OA
DFIX_BOC 2.198 OA N_+
HFIX_CSE 43 N
HFIX_CSE 13 CA
HFIX_CSE 23 CB
RTAB_CSE Chi N CA CB SEG
CHIV_CSE C
DFIX_CSE 1.231 C O
DFIX_CSE 1.525 C CA
DFIX_CSE 1.458 N CA
DFIX_CSE 1.530 CA CB
DFIX_CSE 1.938 CB SEG
DFIX_CSE 2.401 O CA
DFIX_CSE 2.504 C CB
DFIX_CSE 2.455 CB N
DFIX_CSE 2.462 C N
DFIX_CSE 2.923 CA SEG
DFIX 2.326 SEG_m SEG_n
DFIX 3.318 CB_m SEG_n
HFIX_CSH 43 N
HFIX_CSH 13 CA
HFIX_CSH 23 CB
HFIX_CSH 83 SG
RTAB_CSH Chi N CA CB SG
CHIV_CSH C
DFIX_CSH 1.231 C O
DFIX_CSH 1.525 C CA
DFIX_CSH 1.458 N CA
DFIX_CSH 1.530 CA CB
DFIX_CSH 1.808 CB SG
DFIX_CSH 2.401 O CA
DFIX_CSH 2.504 C CB
DFIX_CSH 2.455 CB N
DFIX_CSH 2.462 C N
DFIX_CSH 2.810 CA SG
HFIX_CYS 43 N
HFIX_CYS 13 CA
HFIX_CYS 23 CB
RTAB_CYS Chi N CA CB SG
CHIV_CYS C
DFIX_CYS 1.231 C O
DFIX_CYS 1.525 C CA
DFIX_CYS 1.458 N CA
DFIX_CYS 1.530 CA CB
DFIX_CYS 1.808 CB SG
DFIX_CYS 2.401 O CA
DFIX_CYS 2.504 C CB
DFIX_CYS 2.455 CB N
DFIX_CYS 2.462 C N
DFIX_CYS 2.810 CA SG
DFIX 2.031 SG_m SG_n
DFIX 3.035 CB_m SG_n
HFIX_GLN 43 N
HFIX_GLN 13 CA
HFIX_GLN 23 CB CG
HFIX_GLN 93 NE2
RTAB_GLN Chi N CA CB CG
CHIV_GLN C CD
DFIX_GLN 1.231 C O
DFIX_GLN 1.458 N CA
DFIX_GLN 1.525 C CA
DFIX_GLN 1.530 CA CB
DFIX_GLN 1.520 CB CG
DFIX_GLN 1.516 CG CD
DFIX_GLN 1.231 CD OE1
DFIX_GLN 1.328 CD NE2
DFIX_GLN 2.401 O CA
DFIX_GLN 2.462 C N
DFIX_GLN 2.455 CB N
DFIX_GLN 2.504 C CB
DFIX_GLN 2.559 CA CG
DFIX_GLN 2.526 CB CD
DFIX_GLN 2.393 CG OE1
DFIX_GLN 2.419 CG NE2
DFIX_GLN 2.245 OE1 NE2
HFIX_GLU 43 N
HFIX_GLU 13 CA
HFIX_GLU 23 CB CG
RTAB_GLU Chi N CA CB CG
CHIV_GLU C CD
DFIX_GLU 1.231 C O
DFIX_GLU 1.458 N CA
DFIX_GLU 1.525 C CA
DFIX_GLU 1.530 CA CB
DFIX_GLU 1.520 CB CG
DFIX_GLU 1.516 CG CD
DFIX_GLU 1.249 CD OE1 CD OE2
DFIX_GLU 2.401 O CA
DFIX_GLU 2.462 C N
DFIX_GLU 2.455 CB N
DFIX_GLU 2.504 C CB
DFIX_GLU 2.559 CA CG
DFIX_GLU 2.526 CB CD
DFIX_GLU 2.379 CG OE1 CG OE2
DFIX_GLU 2.194 OE1 OE2
HFIX_GLY 43 N
HFIX_GLY 23 CA
CHIV_GLY C
DFIX_GLY 1.231 O C
DFIX_GLY 1.516 C CA
DFIX_GLY 1.451 CA N
DFIX_GLY 2.467 C N
DFIX_GLY 2.393 O CA
Heme restraints from PROLSQ (supplied by George Phillips)
HFIX_HEM 43 CHA CHB CHC CHD CAB CAC
HFIX_HEM 23 CAA CAD CBA CBD
HFIX_HEM 33 CMA CMB CMC CMD
HFIX_HEM 93 CBB CBC
FLAT_HEM C1A C1B C1C C1D C2A C2B C2C C2D C3A C3B C3C C3D NA NB NC ND =
C4A C4B C4C C4D CAA CAB CAC CAD CHA CHB CHC CHD CMA CMB CMC CMD CBB CBC
CHIV_HEM CGA CGD
SADI_HEM FE NA FE NB FE NC FE ND
DFIX_HEM 1.384 NA C1A NA C4A NB C1B NB C4B NC C1C NC C4C ND C1D ND C4D
DFIX_HEM 1.378 CHA C1A CHA C4D CHB C4A CHB C1B CHC C4B CHC C1C CHD C4C CHD C1D
DFIX_HEM 1.449 C1A C2A C3A C4A C1B C2B C3B C4B C1C C2C C3C C4C C1D C2D C3D C4D
DFIX_HEM 1.334 C2A C3A C2B C3B C2C C3C C2D C3D
DFIX_HEM 1.544 C2A CAA C3A CMA C2B CMB C3B CAB C2C CMC C3C CAC C2D CMD C3D CAD
DFIX_HEM 1.337 CAB CBB CAC CBC
DFIX_HEM 1.525 CAA CBA CAD CBD
DFIX_HEM 1.506 CBA CGA CBD CGD
DFIX_HEM 1.258 CGA O1A CGA O2A CGD O1D CGD O2D
DFIX_HEM 2.841 NA NB NB NC NC ND ND NA
DFIX_HEM 2.312 NA C2A NA C3A NB C2B NB C3B NC C2C NC C3C ND C2D ND C3D
DFIX_HEM 2.450 NA CHA NA CHB NB CHB NB CHC NC CHC NC CHD ND CHD ND CHA
DFIX_HEM 2.456 C1A C4D C1B C4A C1C C4B C1D C4C
DFIX_HEM 2.211 C1A C4A C1B C4B C1C C4C C1D C4D
DFIX_HEM 2.247 C1A C3A C2A C4A C1B C3B C2B C4B C1C C3C C2C C4C C1D C3D C2D C4D
DFIX_HEM 2.515 CHA C2A CHA C3D CHB C3A CHB C2B CHC C3B CHC C2C CHD C3C CHD C2D
DFIX_HEM 2.634 C1A CAA C4A CMA C1B CMB C4B CAB C1C CMC C4C CAC C1D CMD C4D CAD
DFIX_HEM 2.601 C3A CAA C2A CMA C3B CMB C2B CAB C3C CMC C2C CAC C3D CMD C2D CAD
DFIX_HEM 2.497 C3B CBB C3C CBC
DFIX_HEM 2.631 C2A CBA C3D CBD
DFIX_HEM 2.570 CAA CGA CAD CGD
DFIX_HEM 2.360 CBA O1A CBA O2A CBD O1D CBD O2D
DFIX_HEM 2.242 O1A O2A O1D O2D
HFIX_HIS 13 CA
HFIX_HIS 23 CB
HFIX_HIS 43 N CE1 NE2 CD2
RTAB_HIS Chi N CA CB CG
FLAT_HIS CB ND1 NE2 CD2 CE1 CG
CHIV_HIS C
DFIX_HIS 1.231 C O
DFIX_HIS 1.525 C CA
DFIX_HIS 1.458 CA N
DFIX_HIS 1.530 CA CB
DFIX_HIS 1.497 CB CG
DFIX_HIS 1.378 CG ND1
DFIX_HIS 1.321 ND1 CE1 CE1 NE2
DFIX_HIS 1.374 NE2 CD2
DFIX_HIS 1.354 CD2 CG
DFIX_HIS 2.401 O CA
DFIX_HIS 2.462 C N
DFIX_HIS 2.504 C CB
DFIX_HIS 2.455 N CB
DFIX_HIS 2.536 CA CG
DFIX_HIS 2.524 CB ND1
DFIX_HIS 2.597 CB CD2
DFIX_HIS 2.202 CG CE1
DFIX_HIS 2.196 CG NE2
DFIX_HIS 2.194 CE1 CD2
DFIX_HIS 2.143 ND1 NE2
HFIX_HYP 13 CA CG
HFIX_HYP 23 CB CD2
HFIX_HYP 83 OD1
RTAB_HYP Chi N CA CB CG
CHIV_HYP C N
DFIX_HYP 1.231 C O
DFIX_HYP 1.525 C CA
DFIX_HYP 1.466 CA N
DFIX_HYP 1.473 N CD
DFIX_HYP 1.503 CD CG
DFIX_HYP 1.492 CG CB
DFIX_HYP 1.530 CB CA
DFIX_HYP 1.424 CG OD
DFIX_HYP 2.401 O CA
DFIX_HYP 2.477 C N
DFIX_HYP 2.504 C CB
DFIX_HYP 2.437 CA CD
DFIX_HYP 2.332 N CG
DFIX_HYP 2.393 CD CB
DFIX_HYP 2.390 CA CG
DFIX_HYP 2.345 N CB
DFIX_HYP 2.419 CB OD
DFIX_HYP 2.432 CD OD
HFIX_ILE 43 N
HFIX_ILE 13 CA CB
HFIX_ILE 23 CG1
HFIX_ILE 33 CD1 CG2
RTAB_ILE Chi N CA CB CG1
RTAB_ILE Chi N CA CB CG2
CHIV_ILE C
DFIX_ILE 1.231 C O
DFIX_ILE 1.525 C CA
DFIX_ILE 1.458 CA N
DFIX_ILE 1.540 CA CB
DFIX_ILE 1.530 CB CG1
DFIX_ILE 1.521 CB CG2
DFIX_ILE 1.513 CG1 CD1
DFIX_ILE 2.401 O CA
DFIX_ILE 2.462 C N
DFIX_ILE 2.479 N CB
DFIX_ILE 2.576 CA CG1
DFIX_ILE 2.515 CA CG2
DFIX_ILE 2.549 CB CD1
DFIX_ILE 2.510 CG1 CG2
DFIX_ILE 2.497 C CB
HFIX_LEU 43 N
HFIX_LEU 13 CA CG
HFIX_LEU 23 CB
HFIX_LEU 33 CD1 CD2
RTAB_LEU Chi N CA CB CG
CHIV_LEU C
DFIX_LEU 1.231 C O
DFIX_LEU 1.525 C CA
DFIX_LEU 1.458 N CA
DFIX_LEU 1.530 CA CB CB CG
DFIX_LEU 1.521 CG CD1 CG CD2
DFIX_LEU 2.401 O CA
DFIX_LEU 2.462 C N
DFIX_LEU 2.455 N CB
DFIX_LEU 2.504 C CB
DFIX_LEU 2.599 CA CG
DFIX_LEU 2.510 CB CD1 CB CD2
DFIX_LEU 2.504 CD1 CD2
HFIX_LYS 43 N
HFIX_LYS 13 CA
HFIX_LYS 23 CB CG CD CE
HFIX_LYS 33 NZ
RTAB_LYS Chi N CA CB CG
CHIV_LYS C
DFIX_LYS 1.231 C O
DFIX_LYS 1.525 C CA
DFIX_LYS 1.458 CA N
DFIX_LYS 1.530 CA CB
DFIX_LYS 1.520 CB CG CG CD CD CE
DFIX_LYS 1.489 CE NZ
DFIX_LYS 2.401 O CA
DFIX_LYS 2.462 C N
DFIX_LYS 2.455 N CB
DFIX_LYS 2.504 C CB
DFIX_LYS 2.559 CA CG
DFIX_LYS 2.510 CB CD CG CE
DFIX_LYS 2.493 CD NZ
HFIX_MET 43 N
HFIX_MET 13 CA
HFIX_MET 23 CB CG
HFIX_MET 33 CE
RTAB_MET Chi N CA CB CG
CHIV_MET C
DFIX_MET 1.231 C O
DFIX_MET 1.458 N CA
DFIX_MET 1.525 C CA
DFIX_MET 1.530 CA CB
DFIX_MET 1.520 CB CG
DFIX_MET 1.803 CG SD
DFIX_MET 1.791 SD CE
DFIX_MET 2.401 O CA
DFIX_MET 2.462 C N
DFIX_MET 2.455 N CB
DFIX_MET 2.559 CA CG
DFIX_MET 2.771 CB SD
DFIX_MET 2.504 C CB
DFIX_MET 2.771 CG CE
HFIX_MSE 43 N
HFIX_MSE 13 CA
HFIX_MSE 23 CB CG
HFIX_MSE 33 CE
RTAB_MSE Chi N CA CB CG
CHIV_MSE C
DFIX_MSE 1.231 C O
DFIX_MSE 1.458 N CA
DFIX_MSE 1.525 C CA
DFIX_MSE 1.530 CA CB
DFIX_MSE 1.520 CB CG
DFIX_MSE 1.937 SED CG
DFIX_MSE 1.907 SED CE
DFIX_MSE 2.401 O CA
DFIX_MSE 2.462 C N
DFIX_MSE 2.455 N CB
DFIX_MSE 2.559 CA CG
DFIX_MSE 2.904 CB SED
DFIX_MSE 2.504 C CB
DFIX_MSE 2.922 CG CE
HFIX_OET 23 C1
HFIX_OET 33 C2
DFIX_OET 1.401 C1 C2
DFIX_OET 1.480 OE C1
DFIX_OET 1.325 OE C_-
DFIX_OET 2.368 OE C2
DFIX_OET 2.395 C1 C_-
DFIX_OET 2.232 OE O_-
DFIX_OET 2.337 OE CA_-
HFIX_OME 33 C1
DFIX_OME 1.451 C1 OE
DFIX_OME 1.327 OE C_-
DFIX_OME 2.361 C1 C_-
DFIX_OME 2.232 OE O_-
DFIX_OME 2.343 O CA_-
HFIX_PHE 13 CA
HFIX_PHE 23 CB
HFIX_PHE 43 N CD1 CD2 CE1 CE2 CZ
RTAB_PHE Chi N CA CB CG
FLAT_PHE CG CD1 CE2 CB CD2 CE1 CZ
CHIV_PHE C
DFIX_PHE 1.231 C O
DFIX_PHE 1.458 N CA
DFIX_PHE 1.525 C CA
DFIX_PHE 1.530 CA CB
DFIX_PHE 1.520 CB CG
DFIX_PHE 1.384 CG CD1 CG CD2
DFIX_PHE 1.382 CD1 CE1 CD2 CE2 CE1 CZ CE2 CZ
DFIX_PHE 2.401 O CA
DFIX_PHE 2.462 C N
DFIX_PHE 2.504 C CB
DFIX_PHE 2.455 N CB
DFIX_PHE 2.555 CA CG
DFIX_PHE 2.525 CB CD1 CB CD2
DFIX_PHE 2.404 CG CE1 CG CE2
DFIX_PHE 2.394 CD1 CZ CD2 CZ CE1 CE2
DFIX_PHE 2.380 CD1 CD2
HFIX_PRO 13 CA
HFIX_PRO 23 CB CG CD
RTAB_PRO Chi N CA CB CG
CHIV_PRO C N
DFIX_PRO 1.231 C O
DFIX_PRO 1.525 C CA
DFIX_PRO 1.466 CA N
DFIX_PRO 1.473 N CD
DFIX_PRO 1.503 CD CG
DFIX_PRO 1.492 CG CB
DFIX_PRO 1.530 CB CA
DFIX_PRO 2.401 O CA
DFIX_PRO 2.477 C N
DFIX_PRO 2.504 C CB
DFIX_PRO 2.437 CA CD
DFIX_PRO 2.332 N CG
DFIX_PRO 2.393 CD CB
DFIX_PRO 2.390 CA CG
DFIX_PRO 2.345 N CB
HFIX_SER 43 N
HFIX_SER 13 CA
HFIX_SER 23 CB
HFIX_SER 83 OG
RTAB_SER Chi N CA CB OG
CHIV_SER C
DFIX_SER 1.231 C O
DFIX_SER 1.525 C CA
DFIX_SER 1.458 N CA
DFIX_SER 1.530 CA CB
DFIX_SER 1.417 CB OG
DFIX_SER 2.401 O CA
DFIX_SER 2.462 C N
DFIX_SER 2.504 C CB
DFIX_SER 2.455 N CB
DFIX_SER 2.431 CA OG
HFIX_THR 43 N
HFIX_THR 13 CA CB
HFIX_THR 33 CG2
HFIX_THR 83 OG1
RTAB_THR Chi N CA CB OG1
RTAB_THR Chi N CA CB CG2
CHIV_THR C
DFIX_THR 1.231 C O
DFIX_THR 1.525 C CA
DFIX_THR 1.458 N CA
DFIX_THR 1.540 CA CB
DFIX_THR 1.433 CB OG1
DFIX_THR 1.521 CB CG2
DFIX_THR 2.401 O CA
DFIX_THR 2.462 C N
DFIX_THR 2.497 C CB
DFIX_THR 2.479 N CB
DFIX_THR 2.430 CA OG1
DFIX_THR 2.515 CA CG2
DFIX_THR 2.373 OG1 CG2
HFIX_TRP 13 CA
HFIX_TRP 23 CB
HFIX_TRP 43 N CD1 NE1 CZ2 CH2 CZ3 CE3
RTAB_TRP Chi N CA CB CG
FLAT_TRP CB CE2 CZ3 CG CD1 NE1 CD2 CZ2 CH2 CE3
CHIV_TRP C
DFIX_TRP 1.231 C O
DFIX_TRP 1.525 C CA
DFIX_TRP 1.458 N CA
DFIX_TRP 1.530 CA CB
DFIX_TRP 1.498 CB CG
DFIX_TRP 1.365 CG CD1
DFIX_TRP 1.374 CD1 NE1
DFIX_TRP 1.370 NE1 CE2
DFIX_TRP 1.394 CE2 CZ2
DFIX_TRP 1.368 CZ2 CH2
DFIX_TRP 1.400 CH2 CZ3
DFIX_TRP 1.382 CZ3 CE3
DFIX_TRP 1.398 CE3 CD2
DFIX_TRP 1.433 CD2 CG
DFIX_TRP 1.409 CD2 CE2
DFIX_TRP 2.401 O CA
DFIX_TRP 2.462 C N
DFIX_TRP 2.504 C CB
DFIX_TRP 2.455 N CB
DFIX_TRP 2.534 CA CG
DFIX_TRP 2.562 CB CD1
DFIX_TRP 2.621 CB CD2
DFIX_TRP 2.246 CG NE1
DFIX_TRP 2.605 CG CE3
DFIX_TRP 2.288 CG CE2
DFIX_TRP 2.233 CD1 CE2
DFIX_TRP 2.239 CD1 CD2
DFIX_TRP 2.240 NE1 CD2
DFIX_TRP 2.361 CE2 CH2
DFIX_TRP 2.416 CE2 CE3
DFIX_TRP 2.390 CD2 CZ3
DFIX_TRP 2.456 CD2 CZ2
DFIX_TRP 2.423 CE3 CH2
DFIX_TRP 2.415 CZ3 CZ2
DFIX_TRP 2.506 NE1 CZ2
HFIX_TYR 13 CA
HFIX_TYR 23 CB
HFIX_TYR 43 N CD1 CD2 CE1 CE2
HFIX_TYR 83 OH
RTAB_TYR Chi N CA CB CG
FLAT_TYR CB CD1 CE2 CG CD2 CE1 CZ OH
CHIV_TYR C
DFIX_TYR 1.231 C O
DFIX_TYR 1.458 N CA
DFIX_TYR 1.525 C CA
DFIX_TYR 1.530 CA CB
DFIX_TYR 1.512 CB CG
DFIX_TYR 1.389 CG CD2 CG CD1
DFIX_TYR 1.382 CD2 CE2 CD1 CE1
DFIX_TYR 1.378 CE2 CZ CE1 CZ
DFIX_TYR 1.376 CZ OH
DFIX_TYR 2.401 O CA
DFIX_TYR 2.462 C N
DFIX_TYR 2.455 N CB
DFIX_TYR 2.504 C CB
DFIX_TYR 2.550 CA CG
DFIX_TYR 2.523 CB CD1 CB CD2
DFIX_TYR 2.414 CG CE1 CG CE2
DFIX_TYR 2.385 CZ CD1 CZ CD2
DFIX_TYR 2.384 OH CE1 OH CE2
DFIX_TYR 2.382 CD1 CD2
DFIX_TYR 2.390 CE1 CE2
HFIX_VAL 43 N
HFIX_VAL 13 CA CB
HFIX_VAL 33 CG1 CG2
RTAB_VAL Chi N CA CB CG1
RTAB_VAL Chi N CA CB CG2
CHIV_VAL C
DFIX_VAL 1.231 C O
DFIX_VAL 1.458 N CA
DFIX_VAL 1.525 C CA
DFIX_VAL 1.540 CA CB
DFIX_VAL 1.521 CB CG2 CB CG1
DFIX_VAL 2.401 O CA
DFIX_VAL 2.462 C N
DFIX_VAL 2.497 C CB
DFIX_VAL 2.515 CA CG1 CA CG2
DFIX_VAL 2.479 N CB
DFIX_VAL 2.504 CG1 CG2