data_2m7i_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2m7i _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 8.3 m . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.568 ' CZ2' ' HB3' ' A' ' 11' ' ' ALA . 4.1 m95 -150.52 140.29 21.76 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.547 1.154 . . . . 0.0 107.972 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.8 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.938 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 12.4 t90 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 107.98 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.568 ' HB3' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 CA-C-O 123.784 1.754 . . . . 0.0 109.378 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' THR . . . . . 0.447 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 8.6 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.52 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 4.7 m95 -153.93 148.01 25.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 107.937 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.8 t90 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 107.964 -179.954 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.52 ' HB3' ' CE2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 CA-C-O 123.758 1.742 . . . . 0.0 109.266 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 8.4 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.567 ' CZ2' ' HB3' ' A' ' 11' ' ' ALA . 4.5 m95 -150.62 142.36 23.71 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 108.043 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.9 t90 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 108.014 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.567 ' HB3' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 CA-C-O 123.766 1.746 . . . . 0.0 109.248 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' THR . . . . . 0.511 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 7.9 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.38 -0.229 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.564 ' CZ2' ' HB3' ' A' ' 11' ' ' ALA . 5.6 m95 -160.3 133.83 6.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 107.966 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.6 mp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 12.8 t90 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 107.986 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.564 ' HB3' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 CA-C-O 123.726 1.727 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' THR . . . . . 0.474 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 8.3 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.48 ' CZ2' ' HB3' ' A' ' 11' ' ' ALA . 5.6 m95 -154.77 144.55 21.58 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.2 t90 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 108.004 179.95 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.48 ' HB3' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 CA-C-O 123.784 1.754 . . . . 0.0 109.293 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' THR . . . . . 0.425 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 8.6 m . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.569 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 5.6 m95 -149.03 158.89 44.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 107.97 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.2 t90 . . . . . 0 C--N 1.324 -0.501 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.569 ' HB1' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 CA-C-O 123.761 1.743 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 8.8 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.567 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 4.0 m95 -148.76 137.12 21.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 108.052 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.5 t90 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 108.012 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.567 ' HB1' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 CA-C-O 123.722 1.725 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 8.5 m . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.569 0.223 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.539 ' CZ2' ' HB3' ' A' ' 11' ' ' ALA . 4.0 m95 -150.9 128.13 11.24 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.462 ' CD1' ' C ' ' A' ' 3' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 17.6 t90 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 108.057 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.539 ' HB3' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 CA-C-O 123.786 1.755 . . . . 0.0 109.306 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' THR . . . . . 0.462 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 8.3 m . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.569 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 4.5 m95 -154.97 145.03 21.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 108.057 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 109.248 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 . . . . . 0 N--CA 1.454 -0.225 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.4 t90 . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.569 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 CA-C-O 123.732 1.73 . . . . 0.0 109.255 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' THR . . . . . 0.437 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 8.6 m . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.44 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 8.2 m95 -145.66 164.06 32.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 107.96 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 108.063 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.44 ' HB1' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 CA-C-O 123.74 1.733 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 8.4 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.571 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 4.1 m95 -153.71 128.04 9.17 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.522 1.139 . . . . 0.0 107.95 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 12.5 t90 . . . . . 0 C--N 1.326 -0.433 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.571 ' HB1' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 CA-C-O 123.701 1.715 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' THR . . . . . 0.407 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 8.3 m . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.571 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 5.7 m95 -149.39 145.69 27.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 108.083 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.243 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.4 t90 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.643 1.214 . . . . 0.0 107.963 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 CA-C-O 123.702 1.715 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' THR . . . . . 0.49 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 8.6 m . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.421 -0.214 . . . . 0.0 110.421 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.49 ' CD1' ' O ' ' A' ' 1' ' ' THR . 12.2 m95 -147.32 170.53 17.13 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 107.966 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 123.777 1.751 . . . . 0.0 109.265 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' THR . . . . . 0.493 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 8.5 m . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.493 ' CD1' ' O ' ' A' ' 1' ' ' THR . 13.3 m95 -146.55 166.24 27.08 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.928 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 CA-C-O 123.758 1.742 . . . . 0.0 109.337 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' THR . . . . . 0.57 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 7.7 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.57 ' CD1' ' O ' ' A' ' 1' ' ' THR . 8.0 m95 -158.26 119.0 3.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 107.999 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.8 t90 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 108.015 -179.968 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.555 ' HB1' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 CA-C-O 123.759 1.742 . . . . 0.0 109.313 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' THR . . . . . 0.577 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 8.2 m . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.577 ' CD1' ' O ' ' A' ' 1' ' ' THR . 9.2 m95 -157.73 127.52 6.07 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mp . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.0 t90 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 108.033 179.929 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.555 ' HB3' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.1 tptm . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 123.677 1.703 . . . . 0.0 109.202 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' THR . . . . . 0.512 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 8.6 m . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 11.0 m95 -149.04 158.69 44.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 0.0 108.036 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 CA-C-O 123.686 1.708 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 8.6 m . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.452 -0.203 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.573 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 8.1 m95 -146.17 156.97 43.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 108.0 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.3 mp . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.324 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.272 -0.269 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.573 ' HB1' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.6 tttm . . . . . 0 C--N 1.325 -0.497 0 CA-C-O 123.806 1.765 . . . . 0.0 109.297 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' THR . . . . . 0.497 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 8.3 m . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.56 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 5.4 m95 -155.94 148.97 24.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 108.011 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 tp . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.956 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.421 ' HB3' ' NH1' ' A' ' 7' ' ' ARG . 1.2 mtp-105 . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.56 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 CA-C-O 123.714 1.721 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' THR . . . . . 0.407 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 8.3 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 7.4 m95 -153.89 139.33 17.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 107.993 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.249 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 14.5 t90 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.016 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt . . . . . 0 C--N 1.326 -0.42 0 CA-C-O 123.741 1.734 . . . . 0.0 109.293 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.442 ' OG1' ' C ' ' A' ' 14' ' ' PRO . 8.3 m . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.598 ' CE3' ' O ' ' A' ' 10' ' ' DAB . 4.1 m95 -150.52 140.29 21.76 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.547 1.154 . . . . 0.0 107.972 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.8 mt -95.17 75.52 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.53 11.28 9.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.342 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.566 ' CH2' ' HB2' ' A' ' 10' ' ' DAB . 12.4 t90 -113.07 175.6 5.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 107.98 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ORN . . . . . 0.447 ' HG3' ' CZ3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' DAB . . . . . 0.598 ' O ' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.568 ' HB3' ' CZ2' ' A' ' 2' ' ' TRP . . . -103.63 148.64 25.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 177.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -161.94 92.95 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 123.784 1.754 . . . . 0.0 109.378 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.442 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.8 Cg_endo . . . . . 0 CA--C 1.568 2.182 0 N-CA-C 117.579 2.107 . . . . 0.0 117.579 -171.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.452 ' OG1' ' C ' ' A' ' 14' ' ' PRO . 8.6 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.639 ' CE3' ' C ' ' A' ' 10' ' ' DAB . 4.7 m95 -153.93 148.01 25.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 107.937 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -90.41 71.03 7.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.62 11.93 8.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.575 ' CH2' ' HB2' ' A' ' 10' ' ' DAB . 8.8 t90 -111.22 165.42 11.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 107.964 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' DAB . . . . . 0.639 ' C ' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.52 ' HB3' ' CE2' ' A' ' 2' ' ' TRP . . . -104.79 145.96 29.65 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.575 1.172 . . . . 0.0 109.306 177.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.54 90.65 0.65 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 123.758 1.742 . . . . 0.0 109.266 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.452 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.8 Cg_endo . . . . . 0 CA--C 1.567 2.167 0 N-CA-C 117.566 2.102 . . . . 0.0 117.566 -171.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.449 ' OG1' ' C ' ' A' ' 14' ' ' PRO . 8.4 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.615 ' CE3' ' C ' ' A' ' 10' ' ' DAB . 4.5 m95 -150.62 142.36 23.71 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 108.043 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 mt -87.72 88.48 7.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -84.67 12.4 7.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.563 ' CH2' ' HB2' ' A' ' 10' ' ' DAB . 2.9 t90 -105.74 175.88 5.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 108.014 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ORN . . . . . 0.424 ' HG2' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' DAB . . . . . 0.615 ' C ' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.567 ' HB3' ' CZ2' ' A' ' 2' ' ' TRP . . . -105.12 146.95 28.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.284 177.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -162.06 95.57 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 123.766 1.746 . . . . 0.0 109.248 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.449 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.6 Cg_endo . . . . . 0 CA--C 1.567 2.145 0 N-CA-C 117.624 2.125 . . . . 0.0 117.624 -171.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.511 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 7.9 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.38 -0.229 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.601 ' CE3' ' O ' ' A' ' 10' ' ' DAB . 5.6 m95 -160.3 133.83 6.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 107.966 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.6 mp -92.24 73.15 5.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.5 10.95 9.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.582 ' CH2' ' HB2' ' A' ' 10' ' ' DAB . 12.8 t90 -114.04 173.96 6.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 107.986 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ORN . . . . . 0.402 ' HG3' ' CZ3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' DAB . . . . . 0.601 ' O ' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.564 ' HB3' ' CZ2' ' A' ' 2' ' ' TRP . . . -110.29 147.89 32.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 177.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.6 87.46 0.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 123.726 1.727 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.433 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.8 Cg_endo . . . . . 0 CA--C 1.566 2.114 0 N-CA-C 117.547 2.095 . . . . 0.0 117.547 -171.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.474 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 8.3 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.603 ' CE3' ' O ' ' A' ' 10' ' ' DAB . 5.6 m95 -154.77 144.55 21.58 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.35 76.22 8.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.71 11.75 8.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.575 ' CH2' ' HB2' ' A' ' 10' ' ' DAB . 11.2 t90 -109.91 166.87 10.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 108.004 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ORN . . . . . 0.418 ' HG2' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' DAB . . . . . 0.603 ' O ' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.48 ' HB3' ' CZ2' ' A' ' 2' ' ' TRP . . . -110.76 144.16 40.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 177.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.83 93.34 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 123.784 1.754 . . . . 0.0 109.293 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.451 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.8 Cg_endo . . . . . 0 CA--C 1.567 2.125 0 N-CA-C 117.63 2.127 . . . . 0.0 117.63 -171.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.456 ' OG1' ' C ' ' A' ' 14' ' ' PRO . 8.6 m . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.569 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 5.6 m95 -149.03 158.89 44.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 107.97 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 mt -75.25 -176.53 3.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -84.88 12.68 6.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.223 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.58 ' CH2' ' HB2' ' A' ' 10' ' ' DAB . 2.2 t90 -95.42 177.42 5.83 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' DAB . . . . . 0.58 ' HB2' ' CH2' ' A' ' 8' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.569 ' HB1' ' CZ2' ' A' ' 2' ' ' TRP . . . -103.81 148.66 25.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 109.305 177.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -161.17 95.68 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 123.761 1.743 . . . . 0.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.456 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.9 Cg_endo . . . . . 0 CA--C 1.567 2.143 0 N-CA-C 117.591 2.112 . . . . 0.0 117.591 -171.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.46 ' OG1' ' C ' ' A' ' 14' ' ' PRO . 8.8 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.695 ' CE3' ' C ' ' A' ' 10' ' ' DAB . 4.0 m95 -148.76 137.12 21.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 108.052 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.31 86.82 7.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.57 11.59 8.54 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.534 1.146 . . . . 0.0 110.334 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.565 ' CH2' ' HB2' ' A' ' 10' ' ' DAB . 8.5 t90 -110.64 173.62 6.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 108.012 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ORN . . . . . 0.469 ' HG3' ' CZ3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' DAB . . . . . 0.695 ' C ' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.567 ' HB1' ' CZ2' ' A' ' 2' ' ' TRP . . . -100.32 147.55 25.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.364 177.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.15 98.31 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 123.722 1.725 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.46 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.6 Cg_endo . . . . . 0 CA--C 1.567 2.161 0 N-CA-C 117.586 2.11 . . . . 0.0 117.586 -171.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.453 ' OG1' ' C ' ' A' ' 14' ' ' PRO . 8.5 m . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.569 0.223 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.639 ' CE3' ' C ' ' A' ' 10' ' ' DAB . 4.0 m95 -150.9 128.13 11.24 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.462 ' CD1' ' C ' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -85.63 82.73 8.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.69 11.39 9.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.57 1.169 . . . . 0.0 110.362 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.557 ' CH2' ' HB2' ' A' ' 10' ' ' DAB . 17.6 t90 -113.23 174.77 5.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 108.057 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ORN . . . . . 0.438 ' HG3' ' CZ3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' DAB . . . . . 0.639 ' C ' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.539 ' HB3' ' CZ2' ' A' ' 2' ' ' TRP . . . -101.08 147.72 25.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 177.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.87 98.57 1.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 123.786 1.755 . . . . 0.0 109.306 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.453 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.9 Cg_endo . . . . . 0 CA--C 1.567 2.16 0 N-CA-C 117.568 2.103 . . . . 0.0 117.568 -171.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.462 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 8.3 m . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.569 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 4.5 m95 -154.97 145.03 21.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 108.057 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.15 162.52 24.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 109.248 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -84.85 12.69 6.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.579 ' CH2' ' HB2' ' A' ' 10' ' ' DAB . 4.4 t90 -96.48 170.22 9.37 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' DAB . . . . . 0.579 ' HB2' ' CH2' ' A' ' 8' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.569 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -102.11 148.4 25.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.147 . . . . 0.0 109.219 177.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.71 93.15 0.9 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 123.732 1.73 . . . . 0.0 109.255 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.436 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.9 Cg_endo . . . . . 0 CA--C 1.567 2.141 0 N-CA-C 117.612 2.12 . . . . 0.0 117.612 -171.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.471 ' OG1' ' C ' ' A' ' 14' ' ' PRO . 8.6 m . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.595 ' CE3' ' O ' ' A' ' 10' ' ' DAB . 8.2 m95 -145.66 164.06 32.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 107.96 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.36 154.6 17.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.59 11.98 7.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.583 ' CZ2' ' HB2' ' A' ' 10' ' ' DAB . 0.9 OUTLIER -97.51 156.63 16.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 108.063 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ORN . . . . . 0.48 ' C ' ' O ' ' A' ' 10' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' DAB . . . . . 0.595 ' O ' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.463 ' N ' ' HG3' ' A' ' 10' ' ' DAB . . . -116.4 159.9 21.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 177.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.1 100.28 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 123.74 1.733 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.471 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.7 Cg_endo . . . . . 0 CA--C 1.567 2.139 0 N-CA-C 117.607 2.118 . . . . 0.0 117.607 -171.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.441 ' OG1' ' C ' ' A' ' 14' ' ' PRO . 8.4 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.571 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 4.1 m95 -153.71 128.04 9.17 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.522 1.139 . . . . 0.0 107.95 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.96 79.96 9.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.85 11.2 9.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.573 ' CH2' ' HB2' ' A' ' 10' ' ' DAB . 12.5 t90 -115.77 172.92 6.83 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ORN . . . . . 0.415 ' HG3' ' CZ3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' DAB . . . . . 0.573 ' HB2' ' CH2' ' A' ' 8' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.571 ' HB1' ' CZ2' ' A' ' 2' ' ' TRP . . . -100.39 148.37 24.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 177.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.16 94.75 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 123.701 1.715 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.441 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.8 Cg_endo . . . . . 0 CA--C 1.567 2.156 0 N-CA-C 117.566 2.102 . . . . 0.0 117.566 -171.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.462 ' OG1' ' C ' ' A' ' 14' ' ' PRO . 8.3 m . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.571 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 5.7 m95 -149.39 145.69 27.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 108.083 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.14 -177.62 0.69 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.243 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -84.88 12.48 7.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.584 ' CH2' ' CG ' ' A' ' 10' ' ' DAB . 5.4 t90 -94.77 172.58 8.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.643 1.214 . . . . 0.0 107.963 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' DAB . . . . . 0.584 ' CG ' ' CH2' ' A' ' 8' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -99.01 147.28 25.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 177.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.6 98.75 1.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 123.702 1.715 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.462 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.9 Cg_endo . . . . . 0 CA--C 1.567 2.161 0 N-CA-C 117.551 2.097 . . . . 0.0 117.551 -171.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.49 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 8.6 m . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.421 -0.214 . . . . 0.0 110.421 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.6 ' CE3' ' O ' ' A' ' 10' ' ' DAB . 12.2 m95 -147.32 170.53 17.13 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 9' ' ' ORN . 1.0 OUTLIER -117.94 67.75 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.13 11.46 8.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.29 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.579 ' CZ2' ' HB2' ' A' ' 10' ' ' DAB . 0.6 OUTLIER -111.37 156.32 21.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 107.966 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ORN . . . . . 0.5 ' C ' ' O ' ' A' ' 10' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' DAB . . . . . 0.6 ' O ' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.458 ' N ' ' HG3' ' A' ' 10' ' ' DAB . . . -123.96 157.4 34.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 109.222 177.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -164.23 96.05 0.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 123.777 1.751 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.451 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.9 Cg_endo . . . . . 0 CA--C 1.567 2.159 0 N-CA-C 117.607 2.118 . . . . 0.0 117.607 -171.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.493 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 8.5 m . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.586 ' CE3' ' O ' ' A' ' 10' ' ' DAB . 13.3 m95 -146.55 166.24 27.08 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 9' ' ' ORN . 4.4 mt -111.38 70.46 0.71 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.12 11.33 8.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.118 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.574 ' CZ2' ' HB2' ' A' ' 10' ' ' DAB . 0.5 OUTLIER -109.71 156.23 20.54 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ORN . . . . . 0.504 ' C ' ' O ' ' A' ' 10' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' DAB . . . . . 0.586 ' O ' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.455 ' N ' ' HG3' ' A' ' 10' ' ' DAB . . . -123.83 153.91 40.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 177.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.77 101.11 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 123.758 1.742 . . . . 0.0 109.337 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.457 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.7 Cg_endo . . . . . 0 CA--C 1.567 2.151 0 N-CA-C 117.503 2.078 . . . . 0.0 117.503 -171.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.57 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 7.7 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.57 ' CD1' ' O ' ' A' ' 1' ' ' THR . 8.0 m95 -158.26 119.0 3.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 107.999 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.491 ' CB ' ' HG3' ' A' ' 10' ' ' DAB . 0.2 OUTLIER -77.24 99.96 5.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.86 12.44 7.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.572 ' CZ3' ' HG2' ' A' ' 10' ' ' DAB . 3.8 t90 -106.84 162.12 14.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 108.015 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' DAB . . . . . 0.572 ' HG2' ' CZ3' ' A' ' 8' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.555 ' HB1' ' CZ2' ' A' ' 2' ' ' TRP . . . -89.76 145.29 25.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 177.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.02 91.91 1.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 123.759 1.742 . . . . 0.0 109.313 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.437 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.7 Cg_endo . . . . . 0 CA--C 1.567 2.147 0 N-CA-C 117.62 2.123 . . . . 0.0 117.62 -171.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.577 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 8.2 m . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.577 ' CD1' ' O ' ' A' ' 1' ' ' THR . 9.2 m95 -157.73 127.52 6.07 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mp -90.57 73.05 6.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.51 11.68 8.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.273 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.572 ' CH2' ' HB3' ' A' ' 10' ' ' DAB . 5.0 t90 -118.08 172.56 7.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 108.033 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' DAB . . . . . 0.572 ' HB3' ' CH2' ' A' ' 8' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.555 ' HB3' ' CZ2' ' A' ' 2' ' ' TRP . . . -83.35 147.88 27.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 177.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.1 tptm -159.52 89.25 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 123.677 1.703 . . . . 0.0 109.202 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.433 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.8 Cg_endo . . . . . 0 CA--C 1.567 2.17 0 N-CA-C 117.588 2.111 . . . . 0.0 117.588 -171.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.512 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 8.6 m . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.601 ' CE3' ' O ' ' A' ' 10' ' ' DAB . 11.0 m95 -149.04 158.69 44.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 0.0 108.036 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.486 ' CB ' ' O ' ' A' ' 9' ' ' ORN . 0.1 OUTLIER -93.14 163.86 13.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.273 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.85 11.18 8.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.59 ' CZ2' ' HB2' ' A' ' 10' ' ' DAB . 0.3 OUTLIER -105.34 155.28 19.25 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ORN . . . . . 0.502 ' C ' ' O ' ' A' ' 10' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' DAB . . . . . 0.601 ' O ' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -115.51 156.51 25.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 177.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.15 101.88 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 123.686 1.708 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.453 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.7 Cg_endo . . . . . 0 CA--C 1.566 2.118 0 N-CA-C 117.619 2.123 . . . . 0.0 117.619 -171.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.475 ' OG1' ' C ' ' A' ' 14' ' ' PRO . 8.6 m . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.452 -0.203 . . . . 0.0 110.452 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.573 ' CZ2' ' HB1' ' A' ' 11' ' ' ALA . 8.1 m95 -146.17 156.97 43.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 108.0 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.3 mp -103.32 165.2 11.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.89 11.3 7.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.087 . . . . 0.0 110.272 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.598 ' CZ2' ' HB2' ' A' ' 10' ' ' DAB . 0.3 OUTLIER -116.09 154.79 29.32 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ORN . . . . . 0.489 ' C ' ' O ' ' A' ' 10' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' DAB . . . . . 0.598 ' HB2' ' CZ2' ' A' ' 8' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.573 ' HB1' ' CZ2' ' A' ' 2' ' ' TRP . . . -106.09 161.31 14.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.327 177.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.405 ' O ' ' HD2' ' A' ' 14' ' ' PRO . 1.6 tttm -163.74 97.76 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 123.806 1.765 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.475 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.7 Cg_endo . . . . . 0 CA--C 1.567 2.168 0 N-CA-C 117.573 2.105 . . . . 0.0 117.573 -171.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.497 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 8.3 m . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.56 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 5.4 m95 -155.94 148.97 24.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 108.011 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.467 HD12 ' C ' ' A' ' 4' ' ' DAB . 2.4 tp -96.54 139.56 32.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' DAB . . . . . 0.467 ' C ' HD12 ' A' ' 3' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.421 ' HB3' ' NH1' ' A' ' 7' ' ' ARG . 1.2 mtp-105 -84.68 12.59 6.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.567 ' CH2' ' HB3' ' A' ' 10' ' ' DAB . 0.7 OUTLIER -109.8 165.19 11.89 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' DAB . . . . . 0.567 ' HB3' ' CH2' ' A' ' 8' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.56 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -79.95 152.59 29.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 177.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -157.94 93.6 1.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 123.714 1.721 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.443 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.7 Cg_endo . . . . . 0 CA--C 1.567 2.152 0 N-CA-C 117.51 2.081 . . . . 0.0 117.51 -171.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.444 ' OG1' ' C ' ' A' ' 14' ' ' PRO . 8.3 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.596 ' CE3' ' O ' ' A' ' 10' ' ' DAB . 7.4 m95 -153.89 139.33 17.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 107.993 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.94 70.49 2.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.249 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.53 11.34 8.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 110.254 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.567 ' CH2' ' HB2' ' A' ' 10' ' ' DAB . 14.5 t90 -113.14 175.8 5.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.016 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' DAB . . . . . 0.596 ' O ' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -113.08 121.7 45.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 177.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.409 ' O ' ' HD2' ' A' ' 14' ' ' PRO . 2.5 ptmt -129.26 103.38 6.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 123.741 1.734 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.444 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.6 Cg_endo . . . . . 0 CA--C 1.567 2.146 0 N-CA-C 117.543 2.093 . . . . 0.0 117.543 -171.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.724 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.3 m . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.872 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 4.1 m95 -150.52 140.29 21.76 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.547 1.154 . . . . 0.0 107.972 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.8 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.938 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 12.4 t90 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 107.98 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.872 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 CA-C-O 123.784 1.754 . . . . 0.0 109.378 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.725 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.6 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.99 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 4.7 m95 -153.93 148.01 25.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 107.937 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.8 t90 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 107.964 -179.954 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.99 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 CA-C-O 123.758 1.742 . . . . 0.0 109.266 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.73 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.4 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.965 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 4.5 m95 -150.62 142.36 23.71 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 108.043 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.9 t90 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 108.014 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.965 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 CA-C-O 123.766 1.746 . . . . 0.0 109.248 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.692 HG22 ' H ' ' A' ' 2' ' ' TRP . 7.9 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.38 -0.229 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.992 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 5.6 m95 -160.3 133.83 6.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 107.966 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.6 mp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 12.8 t90 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 107.986 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.992 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 CA-C-O 123.726 1.727 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.71 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.3 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.93 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 5.6 m95 -154.77 144.55 21.58 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.2 t90 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 108.004 179.95 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.93 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 CA-C-O 123.784 1.754 . . . . 0.0 109.293 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.712 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.6 m . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.861 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 5.6 m95 -149.03 158.89 44.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 107.97 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.2 t90 . . . . . 0 C--N 1.324 -0.501 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.861 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 CA-C-O 123.761 1.743 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.732 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.8 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.982 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 4.0 m95 -148.76 137.12 21.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 108.052 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.5 t90 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 108.012 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.982 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 CA-C-O 123.722 1.725 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.73 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.5 m . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.569 0.223 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.994 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 4.0 m95 -150.9 128.13 11.24 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.723 HD12 ' C ' ' A' ' 3' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 17.6 t90 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 108.057 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.994 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 CA-C-O 123.786 1.755 . . . . 0.0 109.306 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.719 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.3 m . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.984 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 4.5 m95 -154.97 145.03 21.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 108.057 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.619 HD22 ' HZ3' ' A' ' 8' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 109.248 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 . . . . . 0 N--CA 1.454 -0.225 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.619 ' HZ3' HD22 ' A' ' 3' ' ' LEU . 4.4 t90 . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.984 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 CA-C-O 123.732 1.73 . . . . 0.0 109.255 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.715 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.6 m . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.812 ' CE2' ' HB2' ' A' ' 11' ' ' ALA . 8.2 m95 -145.66 164.06 32.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 107.96 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 108.063 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.812 ' HB2' ' CE2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 CA-C-O 123.74 1.733 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.737 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.4 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 1.007 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 4.1 m95 -153.71 128.04 9.17 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.522 1.139 . . . . 0.0 107.95 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 12.5 t90 . . . . . 0 C--N 1.326 -0.433 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 1.007 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 CA-C-O 123.701 1.715 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.712 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.3 m . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.956 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 5.7 m95 -149.39 145.69 27.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 108.083 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.243 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.4 t90 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.643 1.214 . . . . 0.0 107.963 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.956 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 CA-C-O 123.702 1.715 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.699 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.6 m . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.421 -0.214 . . . . 0.0 110.421 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.699 ' H ' HG22 ' A' ' 1' ' ' THR . 12.2 m95 -147.32 170.53 17.13 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 107.966 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.425 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 123.777 1.751 . . . . 0.0 109.265 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.712 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.5 m . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.712 ' H ' HG22 ' A' ' 1' ' ' THR . 13.3 m95 -146.55 166.24 27.08 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.928 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.479 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 CA-C-O 123.758 1.742 . . . . 0.0 109.337 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.668 HG22 ' H ' ' A' ' 2' ' ' TRP . 7.7 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.957 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 8.0 m95 -158.26 119.0 3.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 107.999 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.8 t90 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 108.015 -179.968 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.957 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 CA-C-O 123.759 1.742 . . . . 0.0 109.313 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.684 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.2 m . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.979 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 9.2 m95 -157.73 127.52 6.07 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mp . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.0 t90 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 108.033 179.929 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.979 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.1 tptm . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 123.677 1.703 . . . . 0.0 109.202 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.715 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.6 m . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.905 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 11.0 m95 -149.04 158.69 44.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 0.0 108.036 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.905 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 CA-C-O 123.686 1.708 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.711 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.6 m . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.452 -0.203 . . . . 0.0 110.452 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.908 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 8.1 m95 -146.17 156.97 43.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 108.0 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.3 mp . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.324 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.272 -0.269 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.908 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.6 tttm . . . . . 0 C--N 1.325 -0.497 0 CA-C-O 123.806 1.765 . . . . 0.0 109.297 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.688 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.3 m . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.949 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 5.4 m95 -155.94 148.97 24.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 108.011 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 tp . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.956 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 7' ' ' ARG . 1.2 mtp-105 . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.949 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 CA-C-O 123.714 1.721 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.703 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.3 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.987 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 7.4 m95 -153.89 139.33 17.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 107.993 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.249 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 14.5 t90 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.016 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.987 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt . . . . . 0 C--N 1.326 -0.42 0 CA-C-O 123.741 1.734 . . . . 0.0 109.293 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.724 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.3 m . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.872 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 4.1 m95 -150.52 140.29 21.76 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.547 1.154 . . . . 0.0 107.972 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.8 mt -95.17 75.52 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.53 11.28 9.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.342 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.562 ' CH2' ' HB3' ' A' ' 10' ' ' DAB . 12.4 t90 -113.07 175.6 5.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 107.98 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ORN . . . . . 0.44 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' DAB . . . . . 0.598 ' O ' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.872 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -103.63 148.64 25.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 177.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -161.94 92.95 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 123.784 1.754 . . . . 0.0 109.378 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.442 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.8 Cg_endo . . . . . 0 CA--C 1.568 2.182 0 N-CA-C 117.579 2.107 . . . . 0.0 117.579 -171.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.725 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.6 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.99 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 4.7 m95 -153.93 148.01 25.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 107.937 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -90.41 71.03 7.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.62 11.93 8.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.565 ' CH2' ' HB3' ' A' ' 10' ' ' DAB . 8.8 t90 -111.22 165.42 11.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 107.964 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 10' ' ' DAB . . . . . 0.639 ' C ' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.99 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -104.79 145.96 29.65 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.575 1.172 . . . . 0.0 109.306 177.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.54 90.65 0.65 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 123.758 1.742 . . . . 0.0 109.266 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.452 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.8 Cg_endo . . . . . 0 CA--C 1.567 2.167 0 N-CA-C 117.566 2.102 . . . . 0.0 117.566 -171.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.73 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.4 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.965 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 4.5 m95 -150.62 142.36 23.71 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 108.043 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 mt -87.72 88.48 7.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -84.67 12.4 7.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.547 ' CH2' ' HB3' ' A' ' 10' ' ' DAB . 2.9 t90 -105.74 175.88 5.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 108.014 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ORN . . . . . 0.425 ' HG3' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' DAB . . . . . 0.615 ' C ' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.965 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -105.12 146.95 28.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.284 177.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -162.06 95.57 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 123.766 1.746 . . . . 0.0 109.248 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.449 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.6 Cg_endo . . . . . 0 CA--C 1.567 2.145 0 N-CA-C 117.624 2.125 . . . . 0.0 117.624 -171.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.692 HG22 ' H ' ' A' ' 2' ' ' TRP . 7.9 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.38 -0.229 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.992 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 5.6 m95 -160.3 133.83 6.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 107.966 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.6 mp -92.24 73.15 5.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.5 10.95 9.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.576 ' CH2' ' HB3' ' A' ' 10' ' ' DAB . 12.8 t90 -114.04 173.96 6.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 107.986 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 10' ' ' DAB . . . . . 0.601 ' O ' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.992 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -110.29 147.89 32.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 177.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.6 87.46 0.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 123.726 1.727 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.433 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.8 Cg_endo . . . . . 0 CA--C 1.566 2.114 0 N-CA-C 117.547 2.095 . . . . 0.0 117.547 -171.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.71 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.3 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.93 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 5.6 m95 -154.77 144.55 21.58 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.35 76.22 8.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.71 11.75 8.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.57 ' CH2' ' HB3' ' A' ' 10' ' ' DAB . 11.2 t90 -109.91 166.87 10.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 108.004 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ORN . . . . . 0.418 ' HG3' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' DAB . . . . . 0.603 ' O ' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.93 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -110.76 144.16 40.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 177.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.83 93.34 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 123.784 1.754 . . . . 0.0 109.293 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.451 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.8 Cg_endo . . . . . 0 CA--C 1.567 2.125 0 N-CA-C 117.63 2.127 . . . . 0.0 117.63 -171.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.712 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.6 m . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.861 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 5.6 m95 -149.03 158.89 44.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 107.97 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 mt -75.25 -176.53 3.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -84.88 12.68 6.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.223 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.562 ' CH2' ' HB3' ' A' ' 10' ' ' DAB . 2.2 t90 -95.42 177.42 5.83 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 10' ' ' DAB . . . . . 0.562 ' HB3' ' CH2' ' A' ' 8' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.861 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -103.81 148.66 25.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 109.305 177.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -161.17 95.68 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 123.761 1.743 . . . . 0.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.448 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.9 Cg_endo . . . . . 0 CA--C 1.567 2.143 0 N-CA-C 117.591 2.112 . . . . 0.0 117.591 -171.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.732 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.8 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.982 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 4.0 m95 -148.76 137.12 21.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 108.052 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.31 86.82 7.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.57 11.59 8.54 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.534 1.146 . . . . 0.0 110.334 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.547 ' CH2' ' HB3' ' A' ' 10' ' ' DAB . 8.5 t90 -110.64 173.62 6.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 108.012 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ORN . . . . . 0.464 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' DAB . . . . . 0.695 ' C ' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.982 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -100.32 147.55 25.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.364 177.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.15 98.31 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 123.722 1.725 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.46 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.6 Cg_endo . . . . . 0 CA--C 1.567 2.161 0 N-CA-C 117.586 2.11 . . . . 0.0 117.586 -171.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.73 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.5 m . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.569 0.223 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.994 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 4.0 m95 -150.9 128.13 11.24 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.723 HD12 ' C ' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -85.63 82.73 8.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.69 11.39 9.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.57 1.169 . . . . 0.0 110.362 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.556 ' CH2' ' HB3' ' A' ' 10' ' ' DAB . 17.6 t90 -113.23 174.77 5.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 108.057 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ORN . . . . . 0.433 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' DAB . . . . . 0.639 ' C ' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.994 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -101.08 147.72 25.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 177.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.87 98.57 1.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 123.786 1.755 . . . . 0.0 109.306 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.453 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.9 Cg_endo . . . . . 0 CA--C 1.567 2.16 0 N-CA-C 117.568 2.103 . . . . 0.0 117.568 -171.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.719 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.3 m . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.984 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 4.5 m95 -154.97 145.03 21.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 108.057 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.619 HD22 ' HZ3' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -68.15 162.52 24.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 109.248 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -84.85 12.69 6.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.619 ' HZ3' HD22 ' A' ' 3' ' ' LEU . 4.4 t90 -96.48 170.22 9.37 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 10' ' ' DAB . . . . . 0.57 ' HB3' ' CH2' ' A' ' 8' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.984 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -102.11 148.4 25.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.147 . . . . 0.0 109.219 177.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.71 93.15 0.9 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 123.732 1.73 . . . . 0.0 109.255 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.436 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.9 Cg_endo . . . . . 0 CA--C 1.567 2.141 0 N-CA-C 117.612 2.12 . . . . 0.0 117.612 -171.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.715 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.6 m . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.812 ' CE2' ' HB2' ' A' ' 11' ' ' ALA . 8.2 m95 -145.66 164.06 32.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 107.96 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.36 154.6 17.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.59 11.98 7.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.566 ' CZ2' ' HB3' ' A' ' 10' ' ' DAB . 0.9 OUTLIER -97.51 156.63 16.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 108.063 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ORN . . . . . 0.48 ' C ' ' O ' ' A' ' 10' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' DAB . . . . . 0.595 ' O ' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.812 ' HB2' ' CE2' ' A' ' 2' ' ' TRP . . . -116.4 159.9 21.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 177.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.1 100.28 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 123.74 1.733 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.471 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.7 Cg_endo . . . . . 0 CA--C 1.567 2.139 0 N-CA-C 117.607 2.118 . . . . 0.0 117.607 -171.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.737 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.4 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 1.007 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 4.1 m95 -153.71 128.04 9.17 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.522 1.139 . . . . 0.0 107.95 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.96 79.96 9.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.85 11.2 9.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.563 ' CH2' ' HB3' ' A' ' 10' ' ' DAB . 12.5 t90 -115.77 172.92 6.83 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ORN . . . . . 0.409 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' DAB . . . . . 0.563 ' HB3' ' CH2' ' A' ' 8' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 1.007 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -100.39 148.37 24.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 177.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.16 94.75 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 123.701 1.715 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.441 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.8 Cg_endo . . . . . 0 CA--C 1.567 2.156 0 N-CA-C 117.566 2.102 . . . . 0.0 117.566 -171.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.712 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.3 m . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.956 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 5.7 m95 -149.39 145.69 27.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 108.083 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.14 -177.62 0.69 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.243 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -84.88 12.48 7.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.588 ' CZ2' ' HG3' ' A' ' 10' ' ' DAB . 5.4 t90 -94.77 172.58 8.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.643 1.214 . . . . 0.0 107.963 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 10' ' ' DAB . . . . . 0.588 ' HG3' ' CZ2' ' A' ' 8' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.956 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -99.01 147.28 25.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 177.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.6 98.75 1.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 123.702 1.715 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.462 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.9 Cg_endo . . . . . 0 CA--C 1.567 2.161 0 N-CA-C 117.551 2.097 . . . . 0.0 117.551 -171.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.699 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.6 m . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.421 -0.214 . . . . 0.0 110.421 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.699 ' H ' HG22 ' A' ' 1' ' ' THR . 12.2 m95 -147.32 170.53 17.13 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 9' ' ' ORN . 1.0 OUTLIER -117.94 67.75 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.13 11.46 8.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.29 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.561 ' CZ2' ' HB3' ' A' ' 10' ' ' DAB . 0.6 OUTLIER -111.37 156.32 21.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 107.966 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ORN . . . . . 0.5 ' C ' ' O ' ' A' ' 10' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' DAB . . . . . 0.6 ' O ' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.425 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -123.96 157.4 34.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 109.222 177.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -164.23 96.05 0.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 123.777 1.751 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.451 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.9 Cg_endo . . . . . 0 CA--C 1.567 2.159 0 N-CA-C 117.607 2.118 . . . . 0.0 117.607 -171.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.712 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.5 m . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.712 ' H ' HG22 ' A' ' 1' ' ' THR . 13.3 m95 -146.55 166.24 27.08 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 9' ' ' ORN . 4.4 mt -111.38 70.46 0.71 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.12 11.33 8.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.118 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.557 ' CZ2' ' HB3' ' A' ' 10' ' ' DAB . 0.5 OUTLIER -109.71 156.23 20.54 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ORN . . . . . 0.504 ' C ' ' O ' ' A' ' 10' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' DAB . . . . . 0.586 ' O ' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.479 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -123.83 153.91 40.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 177.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.77 101.11 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 123.758 1.742 . . . . 0.0 109.337 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.457 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.7 Cg_endo . . . . . 0 CA--C 1.567 2.151 0 N-CA-C 117.503 2.078 . . . . 0.0 117.503 -171.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.668 HG22 ' H ' ' A' ' 2' ' ' TRP . 7.7 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.957 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 8.0 m95 -158.26 119.0 3.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 107.999 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.573 HD13 ' HD2' ' A' ' 10' ' ' DAB . 0.2 OUTLIER -77.24 99.96 5.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.86 12.44 7.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.571 ' CZ3' ' HG3' ' A' ' 10' ' ' DAB . 3.8 t90 -106.84 162.12 14.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 108.015 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 10' ' ' DAB . . . . . 0.573 ' HD2' HD13 ' A' ' 3' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.957 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -89.76 145.29 25.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 177.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.02 91.91 1.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 123.759 1.742 . . . . 0.0 109.313 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.437 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.7 Cg_endo . . . . . 0 CA--C 1.567 2.147 0 N-CA-C 117.62 2.123 . . . . 0.0 117.62 -171.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.684 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.2 m . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.979 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 9.2 m95 -157.73 127.52 6.07 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mp -90.57 73.05 6.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.51 11.68 8.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.273 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.566 ' CH2' ' HB2' ' A' ' 10' ' ' DAB . 5.0 t90 -118.08 172.56 7.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 108.033 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 10' ' ' DAB . . . . . 0.566 ' HB2' ' CH2' ' A' ' 8' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.979 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -83.35 147.88 27.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 177.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.1 tptm -159.52 89.25 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 123.677 1.703 . . . . 0.0 109.202 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.433 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.8 Cg_endo . . . . . 0 CA--C 1.567 2.17 0 N-CA-C 117.588 2.111 . . . . 0.0 117.588 -171.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.715 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.6 m . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.905 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 11.0 m95 -149.04 158.69 44.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 0.0 108.036 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.486 ' CB ' ' O ' ' A' ' 9' ' ' ORN . 0.1 OUTLIER -93.14 163.86 13.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.273 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.85 11.18 8.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.573 ' CZ2' ' HB3' ' A' ' 10' ' ' DAB . 0.3 OUTLIER -105.34 155.28 19.25 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ORN . . . . . 0.502 ' C ' ' O ' ' A' ' 10' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' DAB . . . . . 0.601 ' O ' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.905 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -115.51 156.51 25.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 177.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.15 101.88 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 123.686 1.708 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.453 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.7 Cg_endo . . . . . 0 CA--C 1.566 2.118 0 N-CA-C 117.619 2.123 . . . . 0.0 117.619 -171.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.711 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.6 m . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.452 -0.203 . . . . 0.0 110.452 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.908 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 8.1 m95 -146.17 156.97 43.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 108.0 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 9' ' ' ORN . 2.3 mp -103.32 165.2 11.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.89 11.3 7.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.087 . . . . 0.0 110.272 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.585 ' CZ2' ' HB3' ' A' ' 10' ' ' DAB . 0.3 OUTLIER -116.09 154.79 29.32 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ORN . . . . . 0.489 ' C ' ' O ' ' A' ' 10' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' DAB . . . . . 0.585 ' HB3' ' CZ2' ' A' ' 8' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.908 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -106.09 161.31 14.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.327 177.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.401 ' O ' ' HD2' ' A' ' 14' ' ' PRO . 1.6 tttm -163.74 97.76 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 123.806 1.765 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.475 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.7 Cg_endo . . . . . 0 CA--C 1.567 2.168 0 N-CA-C 117.573 2.105 . . . . 0.0 117.573 -171.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.688 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.3 m . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.949 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 5.4 m95 -155.94 148.97 24.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 108.011 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.859 HD12 ' N ' ' A' ' 4' ' ' DAB . 2.4 tp -96.54 139.56 32.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' DAB . . . . . 0.859 ' N ' HD12 ' A' ' 3' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ORN . . . . . 0.404 ' HB3' HD11 ' A' ' 3' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 7' ' ' ARG . 1.2 mtp-105 -84.68 12.59 6.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.56 ' CH2' ' HB2' ' A' ' 10' ' ' DAB . 0.7 OUTLIER -109.8 165.19 11.89 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ORN . . . . . 0.427 ' HA ' ' O ' ' A' ' 3' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' DAB . . . . . 0.56 ' HB2' ' CH2' ' A' ' 8' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.949 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -79.95 152.59 29.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 177.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -157.94 93.6 1.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 123.714 1.721 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.443 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.7 Cg_endo . . . . . 0 CA--C 1.567 2.152 0 N-CA-C 117.51 2.081 . . . . 0.0 117.51 -171.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.703 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.3 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.987 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 7.4 m95 -153.89 139.33 17.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 107.993 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.94 70.49 2.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.249 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.53 11.34 8.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 110.254 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.57 ' CH2' ' HB3' ' A' ' 10' ' ' DAB . 14.5 t90 -113.14 175.8 5.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.016 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 10' ' ' DAB . . . . . 0.596 ' O ' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.987 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -113.08 121.7 45.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 177.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.412 ' O ' ' HD2' ' A' ' 14' ' ' PRO . 2.5 ptmt -129.26 103.38 6.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 123.741 1.734 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' DPR . . . . . 0.423 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.444 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.6 Cg_endo . . . . . 0 CA--C 1.567 2.146 0 N-CA-C 117.543 2.093 . . . . 0.0 117.543 -171.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.724 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.3 m . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.872 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 4.1 m95 -150.52 140.29 21.76 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.547 1.154 . . . . 0.0 107.972 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.8 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.938 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 12.4 t90 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 107.98 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.872 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 CA-C-O 123.784 1.754 . . . . 0.0 109.378 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.725 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.6 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.99 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 4.7 m95 -153.93 148.01 25.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 107.937 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.8 t90 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 107.964 -179.954 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.99 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 CA-C-O 123.758 1.742 . . . . 0.0 109.266 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.73 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.4 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.965 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 4.5 m95 -150.62 142.36 23.71 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 108.043 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.9 t90 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 108.014 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.965 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 CA-C-O 123.766 1.746 . . . . 0.0 109.248 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.692 HG22 ' H ' ' A' ' 2' ' ' TRP . 7.9 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.38 -0.229 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.992 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 5.6 m95 -160.3 133.83 6.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 107.966 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.6 mp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 12.8 t90 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 107.986 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.992 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 CA-C-O 123.726 1.727 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.71 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.3 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.93 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 5.6 m95 -154.77 144.55 21.58 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.2 t90 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 108.004 179.95 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.93 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 CA-C-O 123.784 1.754 . . . . 0.0 109.293 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.712 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.6 m . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.861 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 5.6 m95 -149.03 158.89 44.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 107.97 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.2 t90 . . . . . 0 C--N 1.324 -0.501 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.861 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 CA-C-O 123.761 1.743 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.732 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.8 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.982 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 4.0 m95 -148.76 137.12 21.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 108.052 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.5 t90 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 108.012 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.982 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 CA-C-O 123.722 1.725 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.73 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.5 m . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.569 0.223 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.994 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 4.0 m95 -150.9 128.13 11.24 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.723 ' C ' HD12 ' A' ' 3' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 17.6 t90 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 108.057 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.994 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 CA-C-O 123.786 1.755 . . . . 0.0 109.306 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.719 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.3 m . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.984 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 4.5 m95 -154.97 145.03 21.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 108.057 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.619 HD22 ' HZ3' ' A' ' 8' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 109.248 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 . . . . . 0 N--CA 1.454 -0.225 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.619 ' HZ3' HD22 ' A' ' 3' ' ' LEU . 4.4 t90 . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.984 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 CA-C-O 123.732 1.73 . . . . 0.0 109.255 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.715 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.6 m . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.812 ' CE2' ' HB2' ' A' ' 11' ' ' ALA . 8.2 m95 -145.66 164.06 32.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 107.96 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 108.063 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.812 ' HB2' ' CE2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 CA-C-O 123.74 1.733 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.737 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.4 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 1.007 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 4.1 m95 -153.71 128.04 9.17 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.522 1.139 . . . . 0.0 107.95 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 12.5 t90 . . . . . 0 C--N 1.326 -0.433 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 1.007 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 CA-C-O 123.701 1.715 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.712 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.3 m . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.956 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 5.7 m95 -149.39 145.69 27.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 108.083 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.243 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.4 t90 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.643 1.214 . . . . 0.0 107.963 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.956 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 CA-C-O 123.702 1.715 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.699 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.6 m . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.421 -0.214 . . . . 0.0 110.421 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.699 ' H ' HG22 ' A' ' 1' ' ' THR . 12.2 m95 -147.32 170.53 17.13 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 107.966 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.425 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 123.777 1.751 . . . . 0.0 109.265 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.712 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.5 m . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.712 ' H ' HG22 ' A' ' 1' ' ' THR . 13.3 m95 -146.55 166.24 27.08 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.928 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.479 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 CA-C-O 123.758 1.742 . . . . 0.0 109.337 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.668 HG22 ' H ' ' A' ' 2' ' ' TRP . 7.7 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.957 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 8.0 m95 -158.26 119.0 3.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 107.999 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.8 t90 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 108.015 -179.968 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.957 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 CA-C-O 123.759 1.742 . . . . 0.0 109.313 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.684 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.2 m . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.979 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 9.2 m95 -157.73 127.52 6.07 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mp . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.0 t90 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 108.033 179.929 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.979 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.1 tptm . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 123.677 1.703 . . . . 0.0 109.202 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.715 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.6 m . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.905 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 11.0 m95 -149.04 158.69 44.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 0.0 108.036 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.905 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 CA-C-O 123.686 1.708 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.711 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.6 m . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.452 -0.203 . . . . 0.0 110.452 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.908 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 8.1 m95 -146.17 156.97 43.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 108.0 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.3 mp . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.324 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.272 -0.269 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.908 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.6 tttm . . . . . 0 C--N 1.325 -0.497 0 CA-C-O 123.806 1.765 . . . . 0.0 109.297 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.688 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.3 m . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.949 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 5.4 m95 -155.94 148.97 24.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 108.011 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 tp . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.956 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 7' ' ' ARG . 1.2 mtp-105 . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.949 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 CA-C-O 123.714 1.721 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.703 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.3 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.987 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 7.4 m95 -153.89 139.33 17.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 107.993 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.249 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 14.5 t90 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.016 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.987 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt . . . . . 0 C--N 1.326 -0.42 0 CA-C-O 123.741 1.734 . . . . 0.0 109.293 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.724 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.3 m . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.872 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 4.1 m95 -150.52 140.29 21.76 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.547 1.154 . . . . 0.0 107.972 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.8 mt -95.17 75.52 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.53 11.28 9.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.342 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.562 ' CH2' ' HB3' ' A' ' 10' ' ' DAB . 12.4 t90 -113.07 175.6 5.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 107.98 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ORN . . . . . 0.44 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' DAB . . . . . 0.598 ' O ' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.872 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -103.63 148.64 25.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 177.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -161.94 92.95 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 123.784 1.754 . . . . 0.0 109.378 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.442 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.8 Cg_endo . . . . . 0 CA--C 1.568 2.182 0 N-CA-C 117.579 2.107 . . . . 0.0 117.579 -171.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.725 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.6 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.99 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 4.7 m95 -153.93 148.01 25.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 107.937 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -90.41 71.03 7.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.62 11.93 8.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.565 ' CH2' ' HB3' ' A' ' 10' ' ' DAB . 8.8 t90 -111.22 165.42 11.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 107.964 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' DAB . . . . . 0.639 ' C ' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.99 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -104.79 145.96 29.65 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.575 1.172 . . . . 0.0 109.306 177.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.54 90.65 0.65 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 123.758 1.742 . . . . 0.0 109.266 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.452 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.8 Cg_endo . . . . . 0 CA--C 1.567 2.167 0 N-CA-C 117.566 2.102 . . . . 0.0 117.566 -171.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.73 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.4 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.965 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 4.5 m95 -150.62 142.36 23.71 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 108.043 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 mt -87.72 88.48 7.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -84.67 12.4 7.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.547 ' CH2' ' HB3' ' A' ' 10' ' ' DAB . 2.9 t90 -105.74 175.88 5.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 108.014 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ORN . . . . . 0.425 ' HG3' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' DAB . . . . . 0.615 ' C ' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.965 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -105.12 146.95 28.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.284 177.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -162.06 95.57 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 123.766 1.746 . . . . 0.0 109.248 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.449 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.6 Cg_endo . . . . . 0 CA--C 1.567 2.145 0 N-CA-C 117.624 2.125 . . . . 0.0 117.624 -171.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.692 HG22 ' H ' ' A' ' 2' ' ' TRP . 7.9 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.38 -0.229 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.992 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 5.6 m95 -160.3 133.83 6.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 107.966 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.6 mp -92.24 73.15 5.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.5 10.95 9.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.576 ' CH2' ' HB3' ' A' ' 10' ' ' DAB . 12.8 t90 -114.04 173.96 6.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 107.986 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' DAB . . . . . 0.601 ' O ' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.992 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -110.29 147.89 32.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 177.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.6 87.46 0.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 123.726 1.727 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.433 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.8 Cg_endo . . . . . 0 CA--C 1.566 2.114 0 N-CA-C 117.547 2.095 . . . . 0.0 117.547 -171.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.71 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.3 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.93 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 5.6 m95 -154.77 144.55 21.58 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.35 76.22 8.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.71 11.75 8.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.57 ' CH2' ' HB3' ' A' ' 10' ' ' DAB . 11.2 t90 -109.91 166.87 10.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 108.004 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ORN . . . . . 0.418 ' HG3' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' DAB . . . . . 0.603 ' O ' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.93 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -110.76 144.16 40.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 177.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.83 93.34 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 123.784 1.754 . . . . 0.0 109.293 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.451 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.8 Cg_endo . . . . . 0 CA--C 1.567 2.125 0 N-CA-C 117.63 2.127 . . . . 0.0 117.63 -171.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.712 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.6 m . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.861 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 5.6 m95 -149.03 158.89 44.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 107.97 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 mt -75.25 -176.53 3.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -84.88 12.68 6.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.223 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.562 ' CH2' ' HB3' ' A' ' 10' ' ' DAB . 2.2 t90 -95.42 177.42 5.83 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' DAB . . . . . 0.562 ' HB3' ' CH2' ' A' ' 8' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.861 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -103.81 148.66 25.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 109.305 177.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -161.17 95.68 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 123.761 1.743 . . . . 0.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.448 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.9 Cg_endo . . . . . 0 CA--C 1.567 2.143 0 N-CA-C 117.591 2.112 . . . . 0.0 117.591 -171.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.732 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.8 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.982 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 4.0 m95 -148.76 137.12 21.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 108.052 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.31 86.82 7.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.57 11.59 8.54 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.534 1.146 . . . . 0.0 110.334 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.547 ' CH2' ' HB3' ' A' ' 10' ' ' DAB . 8.5 t90 -110.64 173.62 6.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 108.012 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ORN . . . . . 0.464 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' DAB . . . . . 0.695 ' C ' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.982 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -100.32 147.55 25.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.364 177.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.15 98.31 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 123.722 1.725 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.46 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.6 Cg_endo . . . . . 0 CA--C 1.567 2.161 0 N-CA-C 117.586 2.11 . . . . 0.0 117.586 -171.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.73 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.5 m . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.569 0.223 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.994 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 4.0 m95 -150.9 128.13 11.24 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.723 ' C ' HD12 ' A' ' 3' ' ' LEU . 0.3 OUTLIER -85.63 82.73 8.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.69 11.39 9.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.57 1.169 . . . . 0.0 110.362 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.556 ' CH2' ' HB3' ' A' ' 10' ' ' DAB . 17.6 t90 -113.23 174.77 5.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 108.057 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ORN . . . . . 0.433 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' DAB . . . . . 0.639 ' C ' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.994 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -101.08 147.72 25.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 177.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.87 98.57 1.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 123.786 1.755 . . . . 0.0 109.306 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.453 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.9 Cg_endo . . . . . 0 CA--C 1.567 2.16 0 N-CA-C 117.568 2.103 . . . . 0.0 117.568 -171.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.719 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.3 m . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.984 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 4.5 m95 -154.97 145.03 21.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 108.057 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.619 HD22 ' HZ3' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -68.15 162.52 24.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 109.248 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -84.85 12.69 6.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.619 ' HZ3' HD22 ' A' ' 3' ' ' LEU . 4.4 t90 -96.48 170.22 9.37 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' DAB . . . . . 0.57 ' HB3' ' CH2' ' A' ' 8' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.984 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -102.11 148.4 25.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.147 . . . . 0.0 109.219 177.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.71 93.15 0.9 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 123.732 1.73 . . . . 0.0 109.255 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.436 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.9 Cg_endo . . . . . 0 CA--C 1.567 2.141 0 N-CA-C 117.612 2.12 . . . . 0.0 117.612 -171.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.715 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.6 m . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.812 ' CE2' ' HB2' ' A' ' 11' ' ' ALA . 8.2 m95 -145.66 164.06 32.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 107.96 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.36 154.6 17.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.59 11.98 7.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.566 ' CZ2' ' HB3' ' A' ' 10' ' ' DAB . 0.9 OUTLIER -97.51 156.63 16.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 108.063 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ORN . . . . . 0.48 ' C ' ' O ' ' A' ' 10' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' DAB . . . . . 0.595 ' O ' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.812 ' HB2' ' CE2' ' A' ' 2' ' ' TRP . . . -116.4 159.9 21.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 177.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.1 100.28 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 123.74 1.733 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.471 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.7 Cg_endo . . . . . 0 CA--C 1.567 2.139 0 N-CA-C 117.607 2.118 . . . . 0.0 117.607 -171.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.737 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.4 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 1.007 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 4.1 m95 -153.71 128.04 9.17 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.522 1.139 . . . . 0.0 107.95 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.96 79.96 9.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.85 11.2 9.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.563 ' CH2' ' HB3' ' A' ' 10' ' ' DAB . 12.5 t90 -115.77 172.92 6.83 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ORN . . . . . 0.409 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' DAB . . . . . 0.563 ' HB3' ' CH2' ' A' ' 8' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 1.007 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -100.39 148.37 24.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 177.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.16 94.75 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 123.701 1.715 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.441 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.8 Cg_endo . . . . . 0 CA--C 1.567 2.156 0 N-CA-C 117.566 2.102 . . . . 0.0 117.566 -171.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.712 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.3 m . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.956 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 5.7 m95 -149.39 145.69 27.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 108.083 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.14 -177.62 0.69 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.243 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -84.88 12.48 7.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.588 ' CZ2' ' HG3' ' A' ' 10' ' ' DAB . 5.4 t90 -94.77 172.58 8.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.643 1.214 . . . . 0.0 107.963 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' DAB . . . . . 0.588 ' HG3' ' CZ2' ' A' ' 8' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.956 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -99.01 147.28 25.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 177.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.6 98.75 1.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 123.702 1.715 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.462 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.9 Cg_endo . . . . . 0 CA--C 1.567 2.161 0 N-CA-C 117.551 2.097 . . . . 0.0 117.551 -171.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.699 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.6 m . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.421 -0.214 . . . . 0.0 110.421 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.699 ' H ' HG22 ' A' ' 1' ' ' THR . 12.2 m95 -147.32 170.53 17.13 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 9' ' ' ORN . 1.0 OUTLIER -117.94 67.75 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.13 11.46 8.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.29 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.561 ' CZ2' ' HB3' ' A' ' 10' ' ' DAB . 0.6 OUTLIER -111.37 156.32 21.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 107.966 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ORN . . . . . 0.5 ' C ' ' O ' ' A' ' 10' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' DAB . . . . . 0.6 ' O ' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.425 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -123.96 157.4 34.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 109.222 177.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -164.23 96.05 0.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 123.777 1.751 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.451 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.9 Cg_endo . . . . . 0 CA--C 1.567 2.159 0 N-CA-C 117.607 2.118 . . . . 0.0 117.607 -171.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.712 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.5 m . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.712 ' H ' HG22 ' A' ' 1' ' ' THR . 13.3 m95 -146.55 166.24 27.08 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 9' ' ' ORN . 4.4 mt -111.38 70.46 0.71 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.12 11.33 8.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.118 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.557 ' CZ2' ' HB3' ' A' ' 10' ' ' DAB . 0.5 OUTLIER -109.71 156.23 20.54 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ORN . . . . . 0.504 ' C ' ' O ' ' A' ' 10' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' DAB . . . . . 0.586 ' O ' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.479 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -123.83 153.91 40.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 177.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.77 101.11 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 123.758 1.742 . . . . 0.0 109.337 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.457 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.7 Cg_endo . . . . . 0 CA--C 1.567 2.151 0 N-CA-C 117.503 2.078 . . . . 0.0 117.503 -171.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.668 HG22 ' H ' ' A' ' 2' ' ' TRP . 7.7 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.957 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 8.0 m95 -158.26 119.0 3.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 107.999 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.573 HD13 ' HD2' ' A' ' 10' ' ' DAB . 0.2 OUTLIER -77.24 99.96 5.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.86 12.44 7.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.571 ' CZ3' ' HG3' ' A' ' 10' ' ' DAB . 3.8 t90 -106.84 162.12 14.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 108.015 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' DAB . . . . . 0.573 ' HD2' HD13 ' A' ' 3' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.957 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -89.76 145.29 25.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 177.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.02 91.91 1.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 123.759 1.742 . . . . 0.0 109.313 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.437 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.7 Cg_endo . . . . . 0 CA--C 1.567 2.147 0 N-CA-C 117.62 2.123 . . . . 0.0 117.62 -171.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.684 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.2 m . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.979 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 9.2 m95 -157.73 127.52 6.07 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mp -90.57 73.05 6.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.51 11.68 8.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.273 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.566 ' CH2' ' HB2' ' A' ' 10' ' ' DAB . 5.0 t90 -118.08 172.56 7.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 108.033 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' DAB . . . . . 0.566 ' HB2' ' CH2' ' A' ' 8' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.979 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -83.35 147.88 27.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 177.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.1 tptm -159.52 89.25 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 123.677 1.703 . . . . 0.0 109.202 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.433 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.8 Cg_endo . . . . . 0 CA--C 1.567 2.17 0 N-CA-C 117.588 2.111 . . . . 0.0 117.588 -171.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.715 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.6 m . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.905 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 11.0 m95 -149.04 158.69 44.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.135 . . . . 0.0 108.036 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.486 ' CB ' ' O ' ' A' ' 9' ' ' ORN . 0.1 OUTLIER -93.14 163.86 13.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.273 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.85 11.18 8.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.573 ' CZ2' ' HB3' ' A' ' 10' ' ' DAB . 0.3 OUTLIER -105.34 155.28 19.25 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ORN . . . . . 0.502 ' C ' ' O ' ' A' ' 10' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' DAB . . . . . 0.601 ' O ' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.905 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -115.51 156.51 25.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 177.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.15 101.88 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 123.686 1.708 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.453 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.7 Cg_endo . . . . . 0 CA--C 1.566 2.118 0 N-CA-C 117.619 2.123 . . . . 0.0 117.619 -171.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.711 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.6 m . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.452 -0.203 . . . . 0.0 110.452 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.908 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 8.1 m95 -146.17 156.97 43.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 108.0 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 9' ' ' ORN . 2.3 mp -103.32 165.2 11.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.89 11.3 7.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.087 . . . . 0.0 110.272 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.585 ' CZ2' ' HB3' ' A' ' 10' ' ' DAB . 0.3 OUTLIER -116.09 154.79 29.32 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ORN . . . . . 0.489 ' C ' ' O ' ' A' ' 10' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' DAB . . . . . 0.585 ' HB3' ' CZ2' ' A' ' 8' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.908 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -106.09 161.31 14.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.327 177.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.401 ' O ' ' HD2' ' A' ' 14' ' ' PRO . 1.6 tttm -163.74 97.76 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 123.806 1.765 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.475 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.7 Cg_endo . . . . . 0 CA--C 1.567 2.168 0 N-CA-C 117.573 2.105 . . . . 0.0 117.573 -171.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.688 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.3 m . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.949 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 5.4 m95 -155.94 148.97 24.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 108.011 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.859 HD12 ' N ' ' A' ' 4' ' ' DAB . 2.4 tp -96.54 139.56 32.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' DAB . . . . . 0.859 ' N ' HD12 ' A' ' 3' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ORN . . . . . 0.404 ' HB3' HD11 ' A' ' 3' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 7' ' ' ARG . 1.2 mtp-105 -84.68 12.59 6.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.56 ' CH2' ' HB2' ' A' ' 10' ' ' DAB . 0.7 OUTLIER -109.8 165.19 11.89 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ORN . . . . . 0.427 ' HA ' ' O ' ' A' ' 3' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' DAB . . . . . 0.56 ' HB2' ' CH2' ' A' ' 8' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.949 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -79.95 152.59 29.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 177.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -157.94 93.6 1.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 123.714 1.721 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.443 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.7 Cg_endo . . . . . 0 CA--C 1.567 2.152 0 N-CA-C 117.51 2.081 . . . . 0.0 117.51 -171.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.703 HG22 ' H ' ' A' ' 2' ' ' TRP . 8.3 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.987 ' CZ2' ' HB2' ' A' ' 11' ' ' ALA . 7.4 m95 -153.89 139.33 17.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 107.993 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.94 70.49 2.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.249 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.53 11.34 8.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 110.254 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.57 ' CH2' ' HB3' ' A' ' 10' ' ' DAB . 14.5 t90 -113.14 175.8 5.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.016 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' DAB . . . . . 0.596 ' O ' ' CE3' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.987 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . . . -113.08 121.7 45.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 177.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.412 ' O ' ' HD2' ' A' ' 14' ' ' PRO . 2.5 ptmt -129.26 103.38 6.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 123.741 1.734 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . 0.423 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.444 ' C ' ' OG1' ' A' ' 1' ' ' THR . 57.6 Cg_endo . . . . . 0 CA--C 1.567 2.146 0 N-CA-C 117.543 2.093 . . . . 0.0 117.543 -171.44 . . . . . . . . 1 1 . 1 stop_ save_