data_2lhy_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 2lhy _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.487 1.139 0 CA-C-O 120.808 0.253 . . . . 0.0 111.997 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 48.0 p -94.15 -159.86 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.586 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.0 t -149.99 173.67 13.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.603 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.64 166.3 36.93 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.577 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.54 127.36 10.26 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.033 2.488 . . . . 0.0 111.95 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.7 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.587 -179.89 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo . . . . . 0 N--CA 1.488 1.148 0 CA-C-O 120.913 0.297 . . . . 0.0 112.023 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.6 p -93.41 -163.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.218 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.1 t -150.62 164.23 36.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.109 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.52 161.36 59.39 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -69.96 137.21 34.36 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.394 2.063 . . . . 0.0 111.975 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.719 -179.894 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.487 1.117 0 CA-C-O 120.796 0.248 . . . . 0.0 112.001 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 79.5 p -146.56 158.72 43.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.514 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.587 ' HG1' ' H ' ' A' ' 5' ' ' THR . 4.9 t -89.08 -165.22 1.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.632 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.587 ' H ' ' HG1' ' A' ' 4' ' ' THR . 0.1 OUTLIER -82.29 165.86 40.15 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.602 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.659 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.1 Cg_exo -75.52 62.79 6.35 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.047 2.498 . . . . 0.0 111.988 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.659 ' C ' ' O ' ' A' ' 6' ' ' PRO . 12.0 tp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.55 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.487 1.135 0 CA-C-O 120.83 0.262 . . . . 0.0 112.01 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.6 p -146.64 156.87 43.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.594 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.22 -164.08 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.24 166.1 38.8 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.582 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.48 83.15 1.94 Allowed 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 123.077 2.518 . . . . 0.0 112.006 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.597 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo . . . . . 0 N--CA 1.488 1.157 0 CA-C-O 120.794 0.248 . . . . 0.0 111.909 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.8 p -93.75 179.15 5.45 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 -178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.2 t -90.0 -174.26 4.17 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.792 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.25 166.11 38.7 Favored Pre-proline 0 N--CA 1.461 0.124 0 C-N-CA 120.603 -0.439 . . . . 0.0 109.993 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -78.07 128.71 9.26 Favored 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.996 2.464 . . . . 0.0 111.828 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.1 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.385 -179.754 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo . . . . . 0 N--CA 1.488 1.159 0 CA-C-O 120.787 0.244 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 77.7 p -146.61 157.09 43.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.545 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.597 ' HG1' ' H ' ' A' ' 5' ' ' THR . 10.2 t -89.1 -168.86 2.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.577 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.597 ' H ' ' HG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -82.61 167.41 30.19 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.611 179.873 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.46 121.15 6.23 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.991 2.461 . . . . 0.0 112.003 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 -179.808 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.488 1.172 0 CA-C-O 120.772 0.238 . . . . 0.0 111.993 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.8 p -146.54 93.09 2.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.543 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.97 151.09 23.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.57 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.9 p -83.64 162.58 52.63 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.584 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.5 151.84 37.8 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.001 2.467 . . . . 0.0 112.027 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.4 mt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.585 -179.555 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.488 1.192 0 CA-C-O 120.822 0.259 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -146.6 -171.44 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.535 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.12 134.28 16.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.544 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.5 p -82.41 150.4 63.58 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.611 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 121.96 3.65 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 123.073 2.515 . . . . 0.0 111.985 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.8 tp . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.492 -179.872 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.487 1.146 0 CA-C-O 120.817 0.257 . . . . 0.0 112.019 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -146.59 -168.19 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.593 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.1 t -150.65 -176.79 5.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.569 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.75 167.05 32.38 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.58 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.62 119.31 5.42 Favored 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 123.009 2.473 . . . . 0.0 112.019 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.541 -179.854 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.487 1.132 0 CA-C-O 120.801 0.251 . . . . 0.0 112.049 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.5 p -93.8 178.7 5.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.571 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.05 -173.38 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.559 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.23 166.11 38.77 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.6 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.641 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.2 Cg_exo -75.54 101.24 1.46 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.034 2.49 . . . . 0.0 111.962 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.641 ' C ' ' O ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.537 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.487 1.13 0 CA-C-O 120.801 0.25 . . . . 0.0 112.002 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -93.4 172.6 8.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.566 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.446 HG21 ' H ' ' A' ' 5' ' ' THR . 0.7 OUTLIER -89.99 -140.29 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.608 -179.815 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.446 ' H ' HG21 ' A' ' 4' ' ' THR . 0.0 OUTLIER -155.04 164.55 20.69 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.587 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.522 ' O ' HD22 ' A' ' 7' ' ' LEU . 3.1 Cg_exo -75.51 151.08 36.87 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 123.067 2.511 . . . . 0.0 112.022 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.522 HD22 ' O ' ' A' ' 6' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.544 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.487 1.121 0 CA-C-O 120.818 0.258 . . . . 0.0 111.96 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -146.6 143.32 28.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.558 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.0 t -89.39 -177.72 5.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.548 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.9 p -82.46 150.57 63.79 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.648 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.52 114.24 0.57 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.992 2.462 . . . . 0.0 111.975 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.635 ' CD1' ' H ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.647 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.488 1.162 0 CA-C-O 120.797 0.249 . . . . 0.0 111.978 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 50.6 p -94.61 -158.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.555 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.8 t -149.83 173.14 14.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.562 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.42 166.95 33.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.591 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.639 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.1 Cg_exo -75.44 120.82 6.08 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 123.021 2.481 . . . . 0.0 112.015 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.639 ' C ' ' O ' ' A' ' 6' ' ' PRO . 3.6 mm? . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.583 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.489 1.212 0 CA-C-O 120.801 0.25 . . . . 0.0 111.99 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.9 p -93.89 179.34 5.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.601 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.03 -175.05 4.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.546 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.9 p -82.31 150.7 64.61 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.617 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 132.36 9.99 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.954 2.436 . . . . 0.0 111.999 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.0 mt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.602 -179.942 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.488 1.19 0 CA-C-O 120.827 0.261 . . . . 0.0 112.014 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.6 p -93.9 -162.93 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.544 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.5 -164.83 2.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.571 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.9 p -157.33 159.15 31.09 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.523 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.658 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.1 Cg_exo -75.48 89.34 1.2 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.049 2.499 . . . . 0.0 111.971 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.658 ' C ' ' O ' ' A' ' 6' ' ' PRO . 4.4 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.58 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.488 1.152 0 CA-C-O 120.821 0.259 . . . . 0.0 111.936 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 74.8 p -146.58 -157.01 0.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.11 169.86 20.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.05 -179.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.28 166.8 34.62 Favored Pre-proline 0 C--N 1.329 -0.321 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.67 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.19 97.5 1.09 Allowed 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.831 2.354 . . . . 0.0 112.003 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.631 ' CD2' ' H ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.523 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.487 1.124 0 CA-C-O 120.885 0.286 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -146.61 140.53 26.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.644 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.7 t -89.36 -178.11 5.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.356 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.5 167.0 33.08 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.054 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.665 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.5 Cg_exo -73.6 96.38 0.91 Allowed 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.656 2.237 . . . . 0.0 111.846 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.665 ' C ' ' O ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.298 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.488 1.172 0 CA-C-O 120.887 0.286 . . . . 0.0 111.956 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.6 p -93.65 179.22 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.551 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.97 -173.62 3.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.551 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.46 166.52 35.97 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.51 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.46 95.49 1.0 Allowed 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.028 2.485 . . . . 0.0 112.03 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.66 ' CD2' ' H ' ' A' ' 7' ' ' LEU . 1.6 pt? . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.557 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.488 1.194 0 CA-C-O 120.797 0.249 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.4 p -146.48 -126.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.692 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.614 ' CG2' ' H ' ' A' ' 5' ' ' THR . 24.2 m -150.93 178.34 9.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.571 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.614 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.1 p -82.16 161.62 59.52 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.619 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.646 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.2 Cg_exo -75.47 74.15 4.34 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 123.276 2.65 . . . . 0.0 112.639 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.646 ' C ' ' O ' ' A' ' 6' ' ' PRO . 17.2 tp . . . . . 0 C--N 1.332 -0.184 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.488 1.161 0 CA-C-O 120.76 0.233 . . . . 0.0 111.984 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 75.2 p -146.56 159.53 43.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.517 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.11 -167.05 1.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.559 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.34 164.46 47.66 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.545 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.446 ' O ' ' O ' ' A' ' 7' ' ' LEU . 3.2 Cg_exo -75.59 40.07 0.68 Allowed 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.995 2.463 . . . . 0.0 111.996 -179.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.446 ' O ' ' O ' ' A' ' 6' ' ' PRO . 1.1 tp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.502 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.488 1.183 0 CA-C-O 120.814 0.256 . . . . 0.0 112.002 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.6 p -93.93 177.75 5.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.538 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.0 t -90.03 -171.67 3.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.598 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.66 167.13 31.95 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.616 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.5 119.67 5.6 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 123.004 2.47 . . . . 0.0 112.036 179.377 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.57 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.488 1.151 0 CA-C-O 120.721 0.217 . . . . 0.0 111.92 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.6 p -146.55 96.78 2.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.564 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -88.16 148.95 24.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.7 p -83.56 162.57 52.86 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.606 -179.895 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.58 151.45 37.0 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.999 2.466 . . . . 0.0 111.922 -179.698 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.3 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.558 -179.627 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.488 1.172 0 CA-C-O 120.818 0.258 . . . . 0.0 111.986 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -93.83 -167.39 1.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.599 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.53 163.55 38.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.53 -179.784 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.47 166.21 37.73 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.567 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.653 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.2 Cg_exo -75.5 64.78 6.5 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 123.02 2.48 . . . . 0.0 111.976 179.692 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.653 ' C ' ' O ' ' A' ' 6' ' ' PRO . 1.6 tt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.615 -179.867 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.488 1.187 0 CA-C-O 120.819 0.258 . . . . 0.0 111.985 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.5 p -94.26 -158.33 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.542 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.547 ' HG1' ' H ' ' A' ' 5' ' ' THR . 5.5 t -149.8 172.29 15.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.579 -179.751 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.547 ' H ' ' HG1' ' A' ' 4' ' ' THR . 0.1 OUTLIER -82.54 166.6 35.37 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.554 -179.758 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.5 107.9 2.58 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 123.046 2.497 . . . . 0.0 111.936 179.554 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.53 -179.827 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.487 1.103 0 CA-C-O 120.775 0.24 . . . . 0.0 112.07 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.2 p -93.38 91.64 7.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.577 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.5 t -89.11 161.66 16.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.612 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.8 p -82.72 148.35 57.62 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.583 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 150.79 0.71 Allowed 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 123.015 2.477 . . . . 0.0 111.97 -179.56 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.723 ' CD1' ' H ' ' A' ' 7' ' ' LEU . 3.4 mp . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.55 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.488 1.178 0 CA-C-O 120.793 0.247 . . . . 0.0 112.002 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.9 p -93.64 -178.74 4.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.595 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.515 ' H ' ' HG1' ' A' ' 4' ' ' THR . 0.2 OUTLIER -89.72 -176.79 5.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.575 -179.909 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.402 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 1.4 p -82.21 160.36 62.88 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.569 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.47 162.01 36.56 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 123.068 2.512 . . . . 0.0 112.01 179.894 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.557 179.917 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.488 1.158 0 CA-C-O 120.933 0.306 . . . . 0.0 111.8 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -93.42 179.04 5.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.42 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.8 t -89.78 -171.79 3.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.25 0.548 . . . . 0.0 109.692 -179.81 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.87 168.94 19.69 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.756 -179.775 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -76.07 94.74 1.01 Allowed 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 123.215 2.61 . . . . 0.0 112.327 179.403 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.478 ' CD1' ' C ' ' A' ' 7' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.642 -179.621 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo . . . . . 0 N--CA 1.49 1.281 0 CA-C-O 120.765 0.235 . . . . 0.0 111.874 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -93.83 -179.63 5.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.981 -179.898 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.65 -176.41 4.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.143 0.496 . . . . 0.0 110.101 -179.816 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.33 160.13 63.09 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.631 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -68.43 160.5 48.92 Favored 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 121.867 1.711 . . . . 0.0 111.099 179.734 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.758 -179.752 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.487 1.138 0 CA-C-O 120.863 0.276 . . . . 0.0 111.947 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.7 p -146.63 -162.88 1.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.564 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.1 t -150.45 -154.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.58 -179.7 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.2 p -156.3 150.71 20.07 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.544 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.48 135.04 9.4 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 123.058 2.505 . . . . 0.0 112.013 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.561 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.53 103.43 1.74 Allowed 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 123.038 2.492 . . . . 0.0 111.997 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 48.0 p -94.15 -159.86 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.586 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.0 t -149.99 173.67 13.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.603 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.64 166.3 36.93 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.577 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.54 127.36 10.26 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.033 2.488 . . . . 0.0 111.95 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.7 mt -58.51 129.74 43.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.587 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.4 ttmm -71.8 -23.28 61.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.592 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.137 -1.602 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.19 111.08 3.23 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 123.015 2.477 . . . . 0.0 112.023 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.6 p -93.41 -163.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.218 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.1 t -150.62 164.23 36.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.109 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.52 161.36 59.39 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -69.96 137.21 34.36 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.394 2.063 . . . . 0.0 111.975 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mt -58.67 128.64 38.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.719 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.46 ' NZ ' ' CB ' ' A' ' 8' ' ' LYS . 1.1 mtmp? -71.8 151.09 43.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.449 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.317 0 O-C-N 120.149 -1.595 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.45 -165.46 0.29 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 123.036 2.491 . . . . 0.0 112.001 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 79.5 p -146.56 158.72 43.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.514 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.587 ' HG1' ' H ' ' A' ' 5' ' ' THR . 4.9 t -89.08 -165.22 1.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.632 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.587 ' H ' ' HG1' ' A' ' 4' ' ' THR . 0.1 OUTLIER -82.29 165.86 40.15 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.602 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.659 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.1 Cg_exo -75.52 62.79 6.35 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.047 2.498 . . . . 0.0 111.988 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.659 ' C ' ' O ' ' A' ' 6' ' ' PRO . 12.0 tp 13.77 99.04 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.55 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.574 ' NZ ' ' CB ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -71.76 83.11 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.565 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 120.16 -1.587 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.479 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.064 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.49 144.97 29.3 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 123.067 2.511 . . . . 0.0 112.01 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.6 p -146.64 156.87 43.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.594 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.482 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 0.2 OUTLIER -89.22 -164.08 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 -179.781 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.24 166.1 38.8 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.582 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.48 83.15 1.94 Allowed 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 123.077 2.518 . . . . 0.0 112.006 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.57 ' CD1' ' N ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER 178.55 138.21 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.597 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.57 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -168.15 112.43 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.595 -179.908 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 120.171 -1.581 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.482 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -77.03 128.31 9.84 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.695 2.263 . . . . 0.0 111.909 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.8 p -93.75 179.15 5.45 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 -178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.478 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 10.2 t -90.0 -174.26 4.17 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.792 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.25 166.11 38.7 Favored Pre-proline 0 N--CA 1.461 0.124 0 C-N-CA 120.603 -0.439 . . . . 0.0 109.993 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -78.07 128.71 9.26 Favored 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.996 2.464 . . . . 0.0 111.828 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' A' ' 9' ' ' NH2 . 5.1 mt -58.55 128.29 36.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.385 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 7' ' ' LEU . 0.4 OUTLIER 31.79 35.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.507 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . 0.524 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 120.047 -1.658 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.478 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.425 ' C ' ' H ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.23 0.07 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.59 29.14 0.38 Allowed 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 123.013 2.475 . . . . 0.0 111.955 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.425 ' H ' ' C ' ' A' ' 1' ' ' ACE . 77.7 p -146.61 157.09 43.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.545 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.597 ' HG1' ' H ' ' A' ' 5' ' ' THR . 10.2 t -89.1 -168.86 2.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.577 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.597 ' H ' ' HG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -82.61 167.41 30.19 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.611 179.873 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.46 121.15 6.23 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.991 2.461 . . . . 0.0 112.003 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mt -58.58 135.42 57.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -71.82 -74.55 0.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.566 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 120.162 -1.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.424 ' C ' ' H ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.232 0.135 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.43 29.1 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 123.082 2.522 . . . . 0.0 111.993 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.586 ' O ' ' N2 ' ' A' ' 10' ' ' A2G . 23.8 p -146.54 93.09 2.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.543 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.97 151.09 23.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.57 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.9 p -83.64 162.58 52.63 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.584 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.5 151.84 37.8 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.001 2.467 . . . . 0.0 112.027 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.4 mt -57.97 108.0 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.585 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.23 74.48 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.512 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 120.069 -1.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.586 ' N2 ' ' O ' ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.53 175.72 10.91 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 123.039 2.493 . . . . 0.0 111.935 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -146.6 -171.44 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.535 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.12 134.28 16.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.544 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.5 p -82.41 150.4 63.58 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.611 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 121.96 3.65 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 123.073 2.515 . . . . 0.0 111.985 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.506 ' O ' ' C ' ' A' ' 8' ' ' LYS . 16.8 tp -58.84 110.68 1.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.492 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.506 ' C ' ' O ' ' A' ' 7' ' ' LEU . 18.7 tttp 31.58 -94.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.555 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . 0.485 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 120.094 -1.629 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.052 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.48 137.87 7.98 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.958 2.438 . . . . 0.0 112.019 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -146.59 -168.19 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.593 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.1 t -150.65 -176.79 5.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.569 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.75 167.05 32.38 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.58 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.62 119.31 5.42 Favored 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 123.009 2.473 . . . . 0.0 112.019 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 mt -58.73 137.59 57.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.541 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -71.82 -174.33 1.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.558 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 120.186 -1.571 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.164 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.38 169.08 23.2 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 123.103 2.535 . . . . 0.0 112.049 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.5 p -93.8 178.7 5.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.571 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.481 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 0.2 OUTLIER -90.05 -173.38 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.559 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.23 166.11 38.77 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.6 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.641 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.2 Cg_exo -75.54 101.24 1.46 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.034 2.49 . . . . 0.0 111.962 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.641 ' C ' ' O ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER 13.13 104.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.537 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.574 ' CB ' ' O ' ' A' ' 7' ' ' LEU . 29.6 tttm 85.95 136.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.525 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.3 0 O-C-N 120.13 -1.607 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.481 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.036 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.54 125.46 8.98 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.982 2.455 . . . . 0.0 112.002 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -93.4 172.6 8.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.566 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.446 HG21 ' H ' ' A' ' 5' ' ' THR . 0.7 OUTLIER -89.99 -140.29 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.608 -179.815 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.446 ' H ' HG21 ' A' ' 4' ' ' THR . 0.0 OUTLIER -155.04 164.55 20.69 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.587 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.522 ' O ' HD22 ' A' ' 7' ' ' LEU . 3.1 Cg_exo -75.51 151.08 36.87 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 123.067 2.511 . . . . 0.0 112.022 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.572 HD12 ' H ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -178.81 -133.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.544 179.771 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.572 ' H ' HD12 ' A' ' 7' ' ' LEU . 25.5 mtmt 31.57 -115.49 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.532 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 120.173 -1.579 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.55 154.76 40.16 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 123.011 2.474 . . . . 0.0 111.96 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -146.6 143.32 28.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.558 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.0 t -89.39 -177.72 5.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.548 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.9 p -82.46 150.57 63.79 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.648 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.52 114.24 0.57 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.992 2.462 . . . . 0.0 111.975 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.635 ' CD1' ' H ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -58.63 -172.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.647 179.831 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 7' ' ' LEU . 8.8 mttp 31.71 -104.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.545 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 120.147 -1.595 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.49 -161.34 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.048 2.499 . . . . 0.0 111.978 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 50.6 p -94.61 -158.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.555 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.8 t -149.83 173.14 14.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.562 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.42 166.95 33.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.591 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.639 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.1 Cg_exo -75.44 120.82 6.08 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 123.021 2.481 . . . . 0.0 112.015 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.639 ' C ' ' O ' ' A' ' 6' ' ' PRO . 3.6 mm? 16.1 -126.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.583 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.418 ' H ' ' HB3' ' A' ' 7' ' ' LEU . 7.1 ttmm -71.79 -50.04 33.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.584 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 120.148 -1.595 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.59 145.15 29.16 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.994 2.463 . . . . 0.0 111.99 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.9 p -93.89 179.34 5.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.601 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.486 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 0.3 OUTLIER -90.03 -175.05 4.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.546 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.9 p -82.31 150.7 64.61 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.617 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 132.36 9.99 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.954 2.436 . . . . 0.0 111.999 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.57 ' O ' ' CB ' ' A' ' 8' ' ' LYS . 4.0 mt -58.66 128.95 39.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.602 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.57 ' CB ' ' O ' ' A' ' 7' ' ' LEU . 6.5 ttmm 85.88 -65.62 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.579 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 120.18 -1.575 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.486 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.43 -174.19 1.9 Allowed 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 123.047 2.498 . . . . 0.0 112.014 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.6 p -93.9 -162.93 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.544 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.5 -164.83 2.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.571 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.9 p -157.33 159.15 31.09 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.523 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.658 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.1 Cg_exo -75.48 89.34 1.2 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.049 2.499 . . . . 0.0 111.971 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.658 ' C ' ' O ' ' A' ' 6' ' ' PRO . 4.4 mt 13.66 93.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.58 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 7' ' ' LEU . 17.3 mtpp 31.62 -93.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.594 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . 0.501 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 120.188 -1.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.42 -167.07 0.4 Allowed 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 123.104 2.536 . . . . 0.0 111.936 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 74.8 p -146.58 -157.01 0.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.11 169.86 20.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.05 -179.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.28 166.8 34.62 Favored Pre-proline 0 C--N 1.329 -0.321 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.67 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.19 97.5 1.09 Allowed 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.831 2.354 . . . . 0.0 112.003 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.631 ' CD2' ' H ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -59.24 178.93 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.523 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.515 ' C ' ' O ' ' A' ' 7' ' ' LEU . 8.5 ptmt 30.13 42.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.597 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . 0.44 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 120.103 -1.623 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.24 127.92 9.38 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.964 2.443 . . . . 0.0 111.955 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -146.61 140.53 26.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.644 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.7 t -89.36 -178.11 5.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.356 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.5 167.0 33.08 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.054 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.665 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.5 Cg_exo -73.6 96.38 0.91 Allowed 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.656 2.237 . . . . 0.0 111.846 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.665 ' C ' ' O ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER 13.03 104.19 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.298 -179.827 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.449 ' CG ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -168.2 47.62 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.593 -179.878 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 120.072 -1.642 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.51 146.28 30.72 Favored 'Trans proline' 0 C--N 1.304 -1.802 0 C-N-CA 123.027 2.485 . . . . 0.0 111.956 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.6 p -93.65 179.22 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.551 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.49 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 0.1 OUTLIER -89.97 -173.62 3.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.551 -179.888 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.46 166.52 35.97 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.51 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.46 95.49 1.0 Allowed 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.028 2.485 . . . . 0.0 112.03 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.66 ' CD2' ' H ' ' A' ' 7' ' ' LEU . 1.6 pt? -58.42 -176.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.557 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -168.2 -30.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.551 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.386 0 O-C-N 120.23 -1.544 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.49 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.58 -174.96 2.2 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.952 2.434 . . . . 0.0 111.974 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.4 p -146.48 -126.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.692 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.614 ' CG2' ' H ' ' A' ' 5' ' ' THR . 24.2 m -150.93 178.34 9.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.571 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.614 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.1 p -82.16 161.62 59.52 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.619 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.646 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.2 Cg_exo -75.47 74.15 4.34 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 123.276 2.65 . . . . 0.0 112.639 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.646 ' C ' ' O ' ' A' ' 6' ' ' PRO . 17.2 tp 13.75 96.67 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.509 ' C ' ' O ' ' A' ' 7' ' ' LEU . 6.6 tttp 31.74 62.19 0.27 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.474 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.144 -1.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.478 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.16 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.48 170.62 19.87 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 123.053 2.502 . . . . 0.0 111.984 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 75.2 p -146.56 159.53 43.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.517 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.474 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 0.1 OUTLIER -89.11 -167.05 1.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.559 -179.769 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.34 164.46 47.66 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.545 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.446 ' O ' ' O ' ' A' ' 7' ' ' LEU . 3.2 Cg_exo -75.59 40.07 0.68 Allowed 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.995 2.463 . . . . 0.0 111.996 -179.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.61 ' CG ' ' H ' ' A' ' 8' ' ' LYS . 1.1 tp -59.12 -144.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.502 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.61 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 14.0 tptm -71.77 -97.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.592 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.385 0 O-C-N 120.166 -1.584 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.474 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.405 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.232 0.169 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.8 Cg_endo -44.59 174.52 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 123.061 2.507 . . . . 0.0 112.002 . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.6 p -93.93 177.75 5.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.538 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.494 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 13.0 t -90.03 -171.67 3.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.598 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.66 167.13 31.95 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.616 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.5 119.67 5.6 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 123.004 2.47 . . . . 0.0 112.036 179.377 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.571 ' O ' ' CB ' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -58.7 136.05 57.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.57 -179.878 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.571 ' CB ' ' O ' ' A' ' 7' ' ' LEU . 21.4 tttp 85.78 127.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.616 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 120.17 -1.581 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.494 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.433 ' C ' ' H ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.47 29.14 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 123.045 2.496 . . . . 0.0 111.92 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.59 ' O ' ' N2 ' ' A' ' 10' ' ' A2G . 21.6 p -146.55 96.78 2.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.564 179.931 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -88.16 148.95 24.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.7 p -83.56 162.57 52.86 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.606 -179.895 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.58 151.45 37.0 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.999 2.466 . . . . 0.0 111.922 -179.698 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.496 ' O ' ' C ' ' A' ' 8' ' ' LYS . 9.3 mt -58.02 108.84 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.558 -179.627 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.496 ' C ' ' O ' ' A' ' 7' ' ' LEU . 6.1 ttmt 31.66 -136.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.514 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 120.121 -1.612 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.59 ' N2 ' ' O ' ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.45 174.55 12.62 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 123.055 2.504 . . . . 0.0 111.986 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -93.83 -167.39 1.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.599 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.53 163.55 38.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.53 -179.784 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.47 166.21 37.73 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.567 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.653 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.2 Cg_exo -75.5 64.78 6.5 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 123.02 2.48 . . . . 0.0 111.976 179.692 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.653 ' C ' ' O ' ' A' ' 6' ' ' PRO . 1.6 tt 14.24 93.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.615 -179.867 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -71.76 47.85 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.554 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 O-C-N 120.16 -1.587 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.426 ' C ' ' H ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.45 29.19 0.37 Allowed 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 123.021 2.481 . . . . 0.0 111.985 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.426 ' H ' ' C ' ' A' ' 1' ' ' ACE . 41.5 p -94.26 -158.33 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.542 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.547 ' HG1' ' H ' ' A' ' 5' ' ' THR . 5.5 t -149.8 172.29 15.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.579 -179.751 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.547 ' H ' ' HG1' ' A' ' 4' ' ' THR . 0.1 OUTLIER -82.54 166.6 35.37 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.554 -179.758 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.5 107.9 2.58 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 123.046 2.497 . . . . 0.0 111.936 179.554 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.574 ' CD2' ' H ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER 179.74 -168.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.53 -179.827 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.574 ' H ' ' CD2' ' A' ' 7' ' ' LEU . 13.2 tttt 31.57 -131.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.545 -179.869 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . 0.433 ' N ' ' CG ' ' A' ' 8' ' ' LYS . . . . . . . . 0 C--N 1.306 -1.314 0 O-C-N 120.082 -1.636 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.52 150.92 36.65 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.024 2.483 . . . . 0.0 112.07 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.563 ' O ' ' N2 ' ' A' ' 10' ' ' A2G . 32.2 p -93.38 91.64 7.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.577 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.5 t -89.11 161.66 16.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.612 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.8 p -82.72 148.35 57.62 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.583 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.707 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.9 Cg_endo -44.59 150.79 0.71 Allowed 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 123.015 2.477 . . . . 0.0 111.97 -179.56 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.723 ' CD1' ' H ' ' A' ' 7' ' ' LEU . 3.4 mp -60.74 15.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.55 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.707 ' H ' ' C ' ' A' ' 6' ' ' PRO . 16.0 tptp 31.64 78.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.568 -179.93 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 120.104 -1.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.563 ' N2 ' ' O ' ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 157.14 0.19 Allowed 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 123.068 2.512 . . . . 0.0 112.002 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.9 p -93.64 -178.74 4.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.595 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.515 ' H ' ' HG1' ' A' ' 4' ' ' THR . 0.2 OUTLIER -89.72 -176.79 5.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.575 -179.909 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.402 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 1.4 p -82.21 160.36 62.88 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.569 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.47 162.01 36.56 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 123.068 2.512 . . . . 0.0 112.01 179.894 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.504 ' CG ' ' H ' ' A' ' 8' ' ' LYS . 1.3 tp -178.2 -147.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.557 179.917 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.504 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 14.3 ttmt 31.65 -95.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.556 -179.908 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . 0.47 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . . . . . . 0 C--N 1.303 -1.417 0 O-C-N 120.164 -1.585 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.49 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.052 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -76.06 -167.49 0.45 Allowed 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 123.078 2.519 . . . . 0.0 111.8 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -93.42 179.04 5.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.42 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.48 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 8.8 t -89.78 -171.79 3.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.25 0.548 . . . . 0.0 109.692 -179.81 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.87 168.94 19.69 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.756 -179.775 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -76.07 94.74 1.01 Allowed 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 123.215 2.61 . . . . 0.0 112.327 179.403 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.478 ' CD1' ' C ' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -58.79 151.92 20.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.642 -179.621 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.13 156.87 9.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.563 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 120.151 -1.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.48 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -71.77 111.35 3.12 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.788 2.325 . . . . 0.0 111.874 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -93.83 -179.63 5.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.981 -179.898 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.487 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 0.1 OUTLIER -89.65 -176.41 4.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.143 0.496 . . . . 0.0 110.101 -179.816 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.33 160.13 63.09 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.631 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -68.43 160.5 48.92 Favored 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 121.867 1.711 . . . . 0.0 111.099 179.734 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.499 ' CG ' ' H ' ' A' ' 8' ' ' LYS . 1.1 tp -178.05 -145.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.758 -179.752 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.499 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER 31.95 -146.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.458 -179.877 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 120.153 -1.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.487 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.064 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.52 -162.61 0.16 Allowed 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 123.037 2.492 . . . . 0.0 111.947 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.7 p -146.63 -162.88 1.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.564 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.1 t -150.45 -154.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.58 -179.7 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.2 p -156.3 150.71 20.07 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.544 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.48 135.04 9.4 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 123.058 2.505 . . . . 0.0 112.013 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mt -58.7 124.56 20.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.561 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -71.74 -175.23 1.32 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.573 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 120.145 -1.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.487 1.139 0 CA-C-O 120.808 0.253 . . . . 0.0 111.997 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 48.0 p -94.15 -159.86 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.586 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.0 t -149.99 173.67 13.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.603 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.64 166.3 36.93 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.577 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.54 127.36 10.26 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.033 2.488 . . . . 0.0 111.95 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.7 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.587 -179.89 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo . . . . . 0 N--CA 1.488 1.148 0 CA-C-O 120.913 0.297 . . . . 0.0 112.023 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.6 p -93.41 -163.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.218 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.1 t -150.62 164.23 36.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.109 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.52 161.36 59.39 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -69.96 137.21 34.36 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.394 2.063 . . . . 0.0 111.975 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.719 -179.894 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.487 1.117 0 CA-C-O 120.796 0.248 . . . . 0.0 112.001 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 79.5 p -146.56 158.72 43.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.514 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.507 ' OG1' ' N ' ' A' ' 5' ' ' THR . 4.9 t -89.08 -165.22 1.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.632 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.507 ' N ' ' OG1' ' A' ' 4' ' ' THR . 0.1 OUTLIER -82.29 165.86 40.15 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.602 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.659 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.1 Cg_exo -75.52 62.79 6.35 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.047 2.498 . . . . 0.0 111.988 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.659 ' C ' ' O ' ' A' ' 6' ' ' PRO . 12.0 tp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.55 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.487 1.135 0 CA-C-O 120.83 0.262 . . . . 0.0 112.01 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.6 p -146.64 156.87 43.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.594 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.22 -164.08 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.24 166.1 38.8 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.582 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.48 83.15 1.94 Allowed 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 123.077 2.518 . . . . 0.0 112.006 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.488 ' C ' HD12 ' A' ' 7' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.597 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo . . . . . 0 N--CA 1.488 1.157 0 CA-C-O 120.794 0.248 . . . . 0.0 111.909 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.8 p -93.75 179.15 5.45 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 -178.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.2 t -90.0 -174.26 4.17 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.792 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.25 166.11 38.7 Favored Pre-proline 0 N--CA 1.461 0.124 0 C-N-CA 120.603 -0.439 . . . . 0.0 109.993 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -78.07 128.71 9.26 Favored 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.996 2.464 . . . . 0.0 111.828 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.1 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.385 -179.754 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo . . . . . 0 N--CA 1.488 1.159 0 CA-C-O 120.787 0.244 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 77.7 p -146.61 157.09 43.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.545 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.2 t -89.1 -168.86 2.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.577 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.61 167.41 30.19 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.611 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.46 121.15 6.23 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.991 2.461 . . . . 0.0 112.003 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 -179.808 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.488 1.172 0 CA-C-O 120.772 0.238 . . . . 0.0 111.993 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.8 p -146.54 93.09 2.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.543 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.97 151.09 23.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.57 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.9 p -83.64 162.58 52.63 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.584 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.5 151.84 37.8 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.001 2.467 . . . . 0.0 112.027 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.4 mt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.585 -179.555 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.488 1.192 0 CA-C-O 120.822 0.259 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -146.6 -171.44 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.535 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.12 134.28 16.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.544 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.5 p -82.41 150.4 63.58 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.611 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 121.96 3.65 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 123.073 2.515 . . . . 0.0 111.985 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.8 tp . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.492 -179.872 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.487 1.146 0 CA-C-O 120.817 0.257 . . . . 0.0 112.019 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -146.59 -168.19 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.593 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.1 t -150.65 -176.79 5.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.569 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.75 167.05 32.38 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.58 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.62 119.31 5.42 Favored 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 123.009 2.473 . . . . 0.0 112.019 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.541 -179.854 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.487 1.132 0 CA-C-O 120.801 0.251 . . . . 0.0 112.049 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.5 p -93.8 178.7 5.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.571 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.05 -173.38 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.559 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.23 166.11 38.77 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.6 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.641 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.2 Cg_exo -75.54 101.24 1.46 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.034 2.49 . . . . 0.0 111.962 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.641 ' C ' ' O ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.537 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.487 1.13 0 CA-C-O 120.801 0.25 . . . . 0.0 112.002 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -93.4 172.6 8.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.566 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.422 HG22 ' H ' ' A' ' 5' ' ' THR . 0.7 OUTLIER -89.99 -140.29 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.608 -179.815 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.422 ' H ' HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER -155.04 164.55 20.69 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.587 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.51 151.08 36.87 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 123.067 2.511 . . . . 0.0 112.022 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.447 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.544 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.487 1.121 0 CA-C-O 120.818 0.258 . . . . 0.0 111.96 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -146.6 143.32 28.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.558 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.0 t -89.39 -177.72 5.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.548 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.9 p -82.46 150.57 63.79 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.648 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.52 114.24 0.57 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.992 2.462 . . . . 0.0 111.975 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.874 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.647 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.488 1.162 0 CA-C-O 120.797 0.249 . . . . 0.0 111.978 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 50.6 p -94.61 -158.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.555 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.8 t -149.83 173.14 14.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.562 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.42 166.95 33.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.591 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.639 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.1 Cg_exo -75.44 120.82 6.08 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 123.021 2.481 . . . . 0.0 112.015 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.92 ' H ' HD22 ' A' ' 7' ' ' LEU . 3.6 mm? . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.583 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.489 1.212 0 CA-C-O 120.801 0.25 . . . . 0.0 111.99 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.9 p -93.89 179.34 5.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.601 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.03 -175.05 4.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.546 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.9 p -82.31 150.7 64.61 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.617 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 132.36 9.99 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.954 2.436 . . . . 0.0 111.999 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.0 mt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.602 -179.942 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.488 1.19 0 CA-C-O 120.827 0.261 . . . . 0.0 112.014 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.6 p -93.9 -162.93 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.544 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.522 ' O ' HG23 ' A' ' 5' ' ' THR . 0.3 OUTLIER -150.5 -164.83 2.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.571 -179.72 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 4' ' ' THR . 15.9 p -157.33 159.15 31.09 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.523 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.658 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.1 Cg_exo -75.48 89.34 1.2 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.049 2.499 . . . . 0.0 111.971 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.658 ' C ' ' O ' ' A' ' 6' ' ' PRO . 4.4 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.58 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.488 1.152 0 CA-C-O 120.821 0.259 . . . . 0.0 111.936 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 74.8 p -146.58 -157.01 0.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.11 169.86 20.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.05 -179.381 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.28 166.8 34.62 Favored Pre-proline 0 C--N 1.329 -0.321 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.67 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.19 97.5 1.09 Allowed 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.831 2.354 . . . . 0.0 112.003 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.829 HD23 ' H ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.523 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.487 1.124 0 CA-C-O 120.885 0.286 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -146.61 140.53 26.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.644 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.7 t -89.36 -178.11 5.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.356 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.5 167.0 33.08 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.054 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.665 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.5 Cg_exo -73.6 96.38 0.91 Allowed 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.656 2.237 . . . . 0.0 111.846 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.665 ' C ' ' O ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.298 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.488 1.172 0 CA-C-O 120.887 0.286 . . . . 0.0 111.956 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.6 p -93.65 179.22 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.551 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.97 -173.62 3.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.551 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.46 166.52 35.97 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.51 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.46 95.49 1.0 Allowed 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.028 2.485 . . . . 0.0 112.03 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.971 HD23 ' H ' ' A' ' 7' ' ' LEU . 1.6 pt? . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.557 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.488 1.194 0 CA-C-O 120.797 0.249 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.4 p -146.48 -126.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.692 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.853 HG22 ' H ' ' A' ' 5' ' ' THR . 24.2 m -150.93 178.34 9.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.571 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.853 ' H ' HG22 ' A' ' 4' ' ' THR . 1.1 p -82.16 161.62 59.52 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.619 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.646 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.2 Cg_exo -75.47 74.15 4.34 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 123.276 2.65 . . . . 0.0 112.639 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.646 ' C ' ' O ' ' A' ' 6' ' ' PRO . 17.2 tp . . . . . 0 C--N 1.332 -0.184 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.488 1.161 0 CA-C-O 120.76 0.233 . . . . 0.0 111.984 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 75.2 p -146.56 159.53 43.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.517 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.11 -167.05 1.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.559 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.34 164.46 47.66 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.545 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.446 ' O ' ' O ' ' A' ' 7' ' ' LEU . 3.2 Cg_exo -75.59 40.07 0.68 Allowed 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.995 2.463 . . . . 0.0 111.996 -179.67 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.446 ' O ' ' O ' ' A' ' 6' ' ' PRO . 1.1 tp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.502 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.488 1.183 0 CA-C-O 120.814 0.256 . . . . 0.0 112.002 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.6 p -93.93 177.75 5.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.538 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.0 t -90.03 -171.67 3.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.598 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.66 167.13 31.95 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.616 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.5 119.67 5.6 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 123.004 2.47 . . . . 0.0 112.036 179.377 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.57 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.488 1.151 0 CA-C-O 120.721 0.217 . . . . 0.0 111.92 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.6 p -146.55 96.78 2.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.564 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -88.16 148.95 24.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.7 p -83.56 162.57 52.86 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.606 -179.895 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.58 151.45 37.0 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.999 2.466 . . . . 0.0 111.922 -179.698 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.3 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.558 -179.627 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.488 1.172 0 CA-C-O 120.818 0.258 . . . . 0.0 111.986 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -93.83 -167.39 1.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.599 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.53 163.55 38.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.53 -179.784 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.47 166.21 37.73 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.567 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.653 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.2 Cg_exo -75.5 64.78 6.5 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 123.02 2.48 . . . . 0.0 111.976 179.692 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.653 ' C ' ' O ' ' A' ' 6' ' ' PRO . 1.6 tt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.615 -179.867 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.488 1.187 0 CA-C-O 120.819 0.258 . . . . 0.0 111.985 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.5 p -94.26 -158.33 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.542 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.5 t -149.8 172.29 15.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.579 -179.751 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.54 166.6 35.37 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.554 -179.758 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.5 107.9 2.58 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 123.046 2.497 . . . . 0.0 111.936 179.554 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.53 -179.827 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.487 1.103 0 CA-C-O 120.775 0.24 . . . . 0.0 112.07 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.2 p -93.38 91.64 7.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.577 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.5 t -89.11 161.66 16.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.612 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.8 p -82.72 148.35 57.62 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.583 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 150.79 0.71 Allowed 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 123.015 2.477 . . . . 0.0 111.97 -179.56 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.073 ' H ' HD12 ' A' ' 7' ' ' LEU . 3.4 mp . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.55 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.488 1.178 0 CA-C-O 120.793 0.247 . . . . 0.0 112.002 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.9 p -93.64 -178.74 4.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.595 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.72 -176.79 5.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.575 -179.909 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.4 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 1.4 p -82.21 160.36 62.88 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.569 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.47 162.01 36.56 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 123.068 2.512 . . . . 0.0 112.01 179.894 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.557 179.917 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.488 1.158 0 CA-C-O 120.933 0.306 . . . . 0.0 111.8 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -93.42 179.04 5.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.42 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.8 t -89.78 -171.79 3.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.25 0.548 . . . . 0.0 109.692 -179.81 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.87 168.94 19.69 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.756 -179.775 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -76.07 94.74 1.01 Allowed 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 123.215 2.61 . . . . 0.0 112.327 179.403 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.666 ' C ' HD12 ' A' ' 7' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.642 -179.621 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo . . . . . 0 N--CA 1.49 1.281 0 CA-C-O 120.765 0.235 . . . . 0.0 111.874 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -93.83 -179.63 5.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.981 -179.898 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.65 -176.41 4.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.143 0.496 . . . . 0.0 110.101 -179.816 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.33 160.13 63.09 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.631 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -68.43 160.5 48.92 Favored 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 121.867 1.711 . . . . 0.0 111.099 179.734 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.758 -179.752 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.487 1.138 0 CA-C-O 120.863 0.276 . . . . 0.0 111.947 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.7 p -146.63 -162.88 1.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.564 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.6 HG23 ' N ' ' A' ' 5' ' ' THR . 7.1 t -150.45 -154.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.58 -179.7 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.6 ' N ' HG23 ' A' ' 4' ' ' THR . 19.2 p -156.3 150.71 20.07 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.544 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.48 135.04 9.4 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 123.058 2.505 . . . . 0.0 112.013 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.561 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.53 103.43 1.74 Allowed 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 123.038 2.492 . . . . 0.0 111.997 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 48.0 p -94.15 -159.86 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.586 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.0 t -149.99 173.67 13.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.603 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.64 166.3 36.93 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.577 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.54 127.36 10.26 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.033 2.488 . . . . 0.0 111.95 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.7 mt -58.51 129.74 43.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.587 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.4 ttmm -71.8 -23.28 61.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.592 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.137 -1.602 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.19 111.08 3.23 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 123.015 2.477 . . . . 0.0 112.023 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.6 p -93.41 -163.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.218 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.1 t -150.62 164.23 36.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.109 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.52 161.36 59.39 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -69.96 137.21 34.36 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.394 2.063 . . . . 0.0 111.975 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mt -58.67 128.64 38.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.719 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.46 ' NZ ' ' CB ' ' A' ' 8' ' ' LYS . 1.1 mtmp? -71.8 151.09 43.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.449 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.317 0 O-C-N 120.149 -1.595 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.45 -165.46 0.29 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 123.036 2.491 . . . . 0.0 112.001 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 79.5 p -146.56 158.72 43.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.514 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.507 ' OG1' ' N ' ' A' ' 5' ' ' THR . 4.9 t -89.08 -165.22 1.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.632 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.507 ' N ' ' OG1' ' A' ' 4' ' ' THR . 0.1 OUTLIER -82.29 165.86 40.15 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.602 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.659 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.1 Cg_exo -75.52 62.79 6.35 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.047 2.498 . . . . 0.0 111.988 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.659 ' C ' ' O ' ' A' ' 6' ' ' PRO . 12.0 tp 13.77 99.04 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.55 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.574 ' NZ ' ' CB ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -71.76 83.11 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.565 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 120.16 -1.587 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.479 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.064 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.49 144.97 29.3 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 123.067 2.511 . . . . 0.0 112.01 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.6 p -146.64 156.87 43.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.594 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.482 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 0.2 OUTLIER -89.22 -164.08 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 -179.781 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.24 166.1 38.8 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.582 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.48 83.15 1.94 Allowed 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 123.077 2.518 . . . . 0.0 112.006 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.982 HD12 ' N ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER 178.55 138.21 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.597 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.982 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -168.15 112.43 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.595 -179.908 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 120.171 -1.581 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.482 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' A2G . . . . . 0.683 ' H8A' ' O ' ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -77.03 128.31 9.84 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.695 2.263 . . . . 0.0 111.909 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.8 p -93.75 179.15 5.45 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 -178.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.478 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 10.2 t -90.0 -174.26 4.17 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.792 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.25 166.11 38.7 Favored Pre-proline 0 N--CA 1.461 0.124 0 C-N-CA 120.603 -0.439 . . . . 0.0 109.993 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -78.07 128.71 9.26 Favored 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.996 2.464 . . . . 0.0 111.828 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' A' ' 9' ' ' NH2 . 5.1 mt -58.55 128.29 36.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.385 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 7' ' ' LEU . 0.4 OUTLIER 31.79 35.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.507 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . 0.524 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 120.047 -1.658 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.478 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.59 29.14 0.38 Allowed 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 123.013 2.475 . . . . 0.0 111.955 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 77.7 p -146.61 157.09 43.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.545 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.2 t -89.1 -168.86 2.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.577 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.61 167.41 30.19 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.611 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.46 121.15 6.23 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.991 2.461 . . . . 0.0 112.003 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mt -58.58 135.42 57.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -71.82 -74.55 0.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.566 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 120.162 -1.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.43 29.1 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 123.082 2.522 . . . . 0.0 111.993 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.586 ' O ' ' N2 ' ' A' ' 10' ' ' A2G . 23.8 p -146.54 93.09 2.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.543 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.97 151.09 23.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.57 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.9 p -83.64 162.58 52.63 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.584 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.5 151.84 37.8 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.001 2.467 . . . . 0.0 112.027 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.4 mt -57.97 108.0 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.585 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.23 74.48 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.512 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 120.069 -1.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.586 ' N2 ' ' O ' ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.53 175.72 10.91 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 123.039 2.493 . . . . 0.0 111.935 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -146.6 -171.44 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.535 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.12 134.28 16.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.544 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.5 p -82.41 150.4 63.58 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.611 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 121.96 3.65 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 123.073 2.515 . . . . 0.0 111.985 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.506 ' O ' ' C ' ' A' ' 8' ' ' LYS . 16.8 tp -58.84 110.68 1.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.492 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.506 ' C ' ' O ' ' A' ' 7' ' ' LEU . 18.7 tttp 31.58 -94.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.555 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . 0.485 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 120.094 -1.629 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.052 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.48 137.87 7.98 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.958 2.438 . . . . 0.0 112.019 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -146.59 -168.19 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.593 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.1 t -150.65 -176.79 5.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.569 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.75 167.05 32.38 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.58 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.62 119.31 5.42 Favored 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 123.009 2.473 . . . . 0.0 112.019 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 mt -58.73 137.59 57.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.541 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -71.82 -174.33 1.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.558 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 120.186 -1.571 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.164 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.38 169.08 23.2 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 123.103 2.535 . . . . 0.0 112.049 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.5 p -93.8 178.7 5.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.571 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.481 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 0.2 OUTLIER -90.05 -173.38 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.559 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.23 166.11 38.77 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.6 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.641 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.2 Cg_exo -75.54 101.24 1.46 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.034 2.49 . . . . 0.0 111.962 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.641 ' C ' ' O ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER 13.13 104.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.537 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.574 ' CB ' ' O ' ' A' ' 7' ' ' LEU . 29.6 tttm 85.95 136.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.525 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.3 0 O-C-N 120.13 -1.607 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.481 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.036 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.54 125.46 8.98 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.982 2.455 . . . . 0.0 112.002 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -93.4 172.6 8.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.566 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.422 HG22 ' H ' ' A' ' 5' ' ' THR . 0.7 OUTLIER -89.99 -140.29 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.608 -179.815 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.422 ' H ' HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER -155.04 164.55 20.69 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.587 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.51 151.08 36.87 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 123.067 2.511 . . . . 0.0 112.022 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.647 HD12 ' H ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -178.81 -133.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.544 179.771 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.647 ' H ' HD12 ' A' ' 7' ' ' LEU . 25.5 mtmt 31.57 -115.49 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.532 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 120.173 -1.579 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.55 154.76 40.16 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 123.011 2.474 . . . . 0.0 111.96 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -146.6 143.32 28.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.558 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.0 t -89.39 -177.72 5.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.548 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.9 p -82.46 150.57 63.79 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.648 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.52 114.24 0.57 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.992 2.462 . . . . 0.0 111.975 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.874 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -58.63 -172.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.647 179.831 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 7' ' ' LEU . 8.8 mttp 31.71 -104.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.545 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 120.147 -1.595 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.49 -161.34 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.048 2.499 . . . . 0.0 111.978 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 50.6 p -94.61 -158.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.555 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.8 t -149.83 173.14 14.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.562 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.42 166.95 33.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.591 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.639 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.1 Cg_exo -75.44 120.82 6.08 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 123.021 2.481 . . . . 0.0 112.015 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.92 ' H ' HD22 ' A' ' 7' ' ' LEU . 3.6 mm? 16.1 -126.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.583 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -71.79 -50.04 33.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.584 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 120.148 -1.595 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.59 145.15 29.16 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.994 2.463 . . . . 0.0 111.99 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.9 p -93.89 179.34 5.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.601 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.486 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 0.3 OUTLIER -90.03 -175.05 4.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.546 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.9 p -82.31 150.7 64.61 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.617 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 132.36 9.99 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.954 2.436 . . . . 0.0 111.999 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.57 ' O ' ' CB ' ' A' ' 8' ' ' LYS . 4.0 mt -58.66 128.95 39.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.602 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.57 ' CB ' ' O ' ' A' ' 7' ' ' LEU . 6.5 ttmm 85.88 -65.62 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.579 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 120.18 -1.575 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.486 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.43 -174.19 1.9 Allowed 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 123.047 2.498 . . . . 0.0 112.014 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.6 p -93.9 -162.93 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.544 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.522 ' O ' HG23 ' A' ' 5' ' ' THR . 0.3 OUTLIER -150.5 -164.83 2.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.571 -179.72 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 4' ' ' THR . 15.9 p -157.33 159.15 31.09 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.523 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.658 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.1 Cg_exo -75.48 89.34 1.2 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.049 2.499 . . . . 0.0 111.971 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.658 ' C ' ' O ' ' A' ' 6' ' ' PRO . 4.4 mt 13.66 93.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.58 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 7' ' ' LEU . 17.3 mtpp 31.62 -93.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.594 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . 0.501 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 120.188 -1.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.42 -167.07 0.4 Allowed 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 123.104 2.536 . . . . 0.0 111.936 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 74.8 p -146.58 -157.01 0.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.11 169.86 20.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.05 -179.381 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.28 166.8 34.62 Favored Pre-proline 0 C--N 1.329 -0.321 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.67 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.19 97.5 1.09 Allowed 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.831 2.354 . . . . 0.0 112.003 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.829 HD23 ' H ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -59.24 178.93 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.523 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.515 ' C ' ' O ' ' A' ' 7' ' ' LEU . 8.5 ptmt 30.13 42.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.597 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . 0.44 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 120.103 -1.623 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.24 127.92 9.38 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.964 2.443 . . . . 0.0 111.955 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -146.61 140.53 26.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.644 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.7 t -89.36 -178.11 5.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.356 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.5 167.0 33.08 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.054 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.665 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.5 Cg_exo -73.6 96.38 0.91 Allowed 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.656 2.237 . . . . 0.0 111.846 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.665 ' C ' ' O ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER 13.03 104.19 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.298 -179.827 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.449 ' CG ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -168.2 47.62 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.593 -179.878 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 120.072 -1.642 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.51 146.28 30.72 Favored 'Trans proline' 0 C--N 1.304 -1.802 0 C-N-CA 123.027 2.485 . . . . 0.0 111.956 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.6 p -93.65 179.22 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.551 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.49 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 0.1 OUTLIER -89.97 -173.62 3.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.551 -179.888 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.46 166.52 35.97 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.51 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.46 95.49 1.0 Allowed 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.028 2.485 . . . . 0.0 112.03 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.971 HD23 ' H ' ' A' ' 7' ' ' LEU . 1.6 pt? -58.42 -176.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.557 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -168.2 -30.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.551 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.386 0 O-C-N 120.23 -1.544 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.49 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.58 -174.96 2.2 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.952 2.434 . . . . 0.0 111.974 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.4 p -146.48 -126.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.692 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.853 HG22 ' H ' ' A' ' 5' ' ' THR . 24.2 m -150.93 178.34 9.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.571 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.853 ' H ' HG22 ' A' ' 4' ' ' THR . 1.1 p -82.16 161.62 59.52 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.619 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.646 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.2 Cg_exo -75.47 74.15 4.34 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 123.276 2.65 . . . . 0.0 112.639 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.646 ' C ' ' O ' ' A' ' 6' ' ' PRO . 17.2 tp 13.75 96.67 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.509 ' C ' ' O ' ' A' ' 7' ' ' LEU . 6.6 tttp 31.74 62.19 0.27 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.474 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.144 -1.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.478 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.16 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.48 170.62 19.87 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 123.053 2.502 . . . . 0.0 111.984 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 75.2 p -146.56 159.53 43.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.517 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.474 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 0.1 OUTLIER -89.11 -167.05 1.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.559 -179.769 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.34 164.46 47.66 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.545 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.446 ' O ' ' O ' ' A' ' 7' ' ' LEU . 3.2 Cg_exo -75.59 40.07 0.68 Allowed 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.995 2.463 . . . . 0.0 111.996 -179.67 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.577 ' CG ' ' H ' ' A' ' 8' ' ' LYS . 1.1 tp -59.12 -144.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.502 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.577 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 14.0 tptm -71.77 -97.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.592 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.385 0 O-C-N 120.166 -1.584 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.474 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.405 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.232 0.169 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.8 Cg_endo -44.59 174.52 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 123.061 2.507 . . . . 0.0 112.002 . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.6 p -93.93 177.75 5.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.538 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.494 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 13.0 t -90.03 -171.67 3.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.598 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.66 167.13 31.95 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.616 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.5 119.67 5.6 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 123.004 2.47 . . . . 0.0 112.036 179.377 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.652 HD23 ' N ' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -58.7 136.05 57.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.57 -179.878 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.652 ' N ' HD23 ' A' ' 7' ' ' LEU . 21.4 tttp 85.78 127.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.616 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 120.17 -1.581 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.494 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.47 29.14 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 123.045 2.496 . . . . 0.0 111.92 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.59 ' O ' ' N2 ' ' A' ' 10' ' ' A2G . 21.6 p -146.55 96.78 2.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.564 179.931 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -88.16 148.95 24.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.7 p -83.56 162.57 52.86 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.606 -179.895 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.58 151.45 37.0 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.999 2.466 . . . . 0.0 111.922 -179.698 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.496 ' O ' ' C ' ' A' ' 8' ' ' LYS . 9.3 mt -58.02 108.84 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.558 -179.627 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.496 ' C ' ' O ' ' A' ' 7' ' ' LEU . 6.1 ttmt 31.66 -136.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.514 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 120.121 -1.612 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.59 ' N2 ' ' O ' ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.45 174.55 12.62 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 123.055 2.504 . . . . 0.0 111.986 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -93.83 -167.39 1.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.599 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.53 163.55 38.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.53 -179.784 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.47 166.21 37.73 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.567 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.653 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.2 Cg_exo -75.5 64.78 6.5 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 123.02 2.48 . . . . 0.0 111.976 179.692 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.653 ' C ' ' O ' ' A' ' 6' ' ' PRO . 1.6 tt 14.24 93.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.615 -179.867 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -71.76 47.85 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.554 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 O-C-N 120.16 -1.587 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.45 29.19 0.37 Allowed 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 123.021 2.481 . . . . 0.0 111.985 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.5 p -94.26 -158.33 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.542 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.5 t -149.8 172.29 15.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.579 -179.751 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.54 166.6 35.37 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.554 -179.758 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.5 107.9 2.58 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 123.046 2.497 . . . . 0.0 111.936 179.554 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.572 ' CD2' ' H ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER 179.74 -168.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.53 -179.827 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.572 ' H ' ' CD2' ' A' ' 7' ' ' LEU . 13.2 tttt 31.57 -131.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.545 -179.869 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . 0.433 ' N ' ' CG ' ' A' ' 8' ' ' LYS . . . . . . . . 0 C--N 1.306 -1.314 0 O-C-N 120.082 -1.636 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.52 150.92 36.65 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.024 2.483 . . . . 0.0 112.07 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.563 ' O ' ' N2 ' ' A' ' 10' ' ' A2G . 32.2 p -93.38 91.64 7.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.577 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.5 t -89.11 161.66 16.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.612 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.8 p -82.72 148.35 57.62 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.583 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.687 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.9 Cg_endo -44.59 150.79 0.71 Allowed 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 123.015 2.477 . . . . 0.0 111.97 -179.56 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.073 ' H ' HD12 ' A' ' 7' ' ' LEU . 3.4 mp -60.74 15.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.55 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.687 ' H ' ' C ' ' A' ' 6' ' ' PRO . 16.0 tptp 31.64 78.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.568 -179.93 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 120.104 -1.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.563 ' N2 ' ' O ' ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 157.14 0.19 Allowed 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 123.068 2.512 . . . . 0.0 112.002 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.9 p -93.64 -178.74 4.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.595 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.49 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 0.2 OUTLIER -89.72 -176.79 5.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.575 -179.909 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.4 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 1.4 p -82.21 160.36 62.88 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.569 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.47 162.01 36.56 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 123.068 2.512 . . . . 0.0 112.01 179.894 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.49 ' O ' ' C ' ' A' ' 8' ' ' LYS . 1.3 tp -178.2 -147.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.557 179.917 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.49 ' C ' ' O ' ' A' ' 7' ' ' LEU . 14.3 ttmt 31.65 -95.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.556 -179.908 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . 0.47 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . . . . . . 0 C--N 1.303 -1.417 0 O-C-N 120.164 -1.585 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.49 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.052 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -76.06 -167.49 0.45 Allowed 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 123.078 2.519 . . . . 0.0 111.8 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -93.42 179.04 5.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.42 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.48 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 8.8 t -89.78 -171.79 3.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.25 0.548 . . . . 0.0 109.692 -179.81 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.87 168.94 19.69 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.756 -179.775 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -76.07 94.74 1.01 Allowed 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 123.215 2.61 . . . . 0.0 112.327 179.403 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.683 HD12 ' N ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -58.79 151.92 20.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.642 -179.621 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.683 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -168.13 156.87 9.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.563 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 120.151 -1.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.48 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -71.77 111.35 3.12 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.788 2.325 . . . . 0.0 111.874 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -93.83 -179.63 5.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.981 -179.898 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.487 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 0.1 OUTLIER -89.65 -176.41 4.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.143 0.496 . . . . 0.0 110.101 -179.816 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.33 160.13 63.09 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.631 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -68.43 160.5 48.92 Favored 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 121.867 1.711 . . . . 0.0 111.099 179.734 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.484 ' O ' ' C ' ' A' ' 8' ' ' LYS . 1.1 tp -178.05 -145.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.758 -179.752 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.484 ' C ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER 31.95 -146.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.458 -179.877 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 120.153 -1.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.487 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.064 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.52 -162.61 0.16 Allowed 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 123.037 2.492 . . . . 0.0 111.947 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.7 p -146.63 -162.88 1.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.564 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.6 HG23 ' N ' ' A' ' 5' ' ' THR . 7.1 t -150.45 -154.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.58 -179.7 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.6 ' N ' HG23 ' A' ' 4' ' ' THR . 19.2 p -156.3 150.71 20.07 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.544 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.48 135.04 9.4 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 123.058 2.505 . . . . 0.0 112.013 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mt -58.7 124.56 20.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.561 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -71.74 -175.23 1.32 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.573 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 120.145 -1.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.487 1.139 0 CA-C-O 120.808 0.253 . . . . 0.0 111.997 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 48.0 p -94.15 -159.86 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.586 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.0 t -149.99 173.67 13.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.603 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.64 166.3 36.93 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.577 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.54 127.36 10.26 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.033 2.488 . . . . 0.0 111.95 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.7 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.587 -179.89 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo . . . . . 0 N--CA 1.488 1.148 0 CA-C-O 120.913 0.297 . . . . 0.0 112.023 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.6 p -93.41 -163.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.218 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.1 t -150.62 164.23 36.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.109 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.52 161.36 59.39 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -69.96 137.21 34.36 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.394 2.063 . . . . 0.0 111.975 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.719 -179.894 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.487 1.117 0 CA-C-O 120.796 0.248 . . . . 0.0 112.001 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 79.5 p -146.56 158.72 43.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.514 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.507 ' OG1' ' N ' ' A' ' 5' ' ' THR . 4.9 t -89.08 -165.22 1.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.632 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.507 ' N ' ' OG1' ' A' ' 4' ' ' THR . 0.1 OUTLIER -82.29 165.86 40.15 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.602 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.659 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.1 Cg_exo -75.52 62.79 6.35 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.047 2.498 . . . . 0.0 111.988 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.659 ' C ' ' O ' ' A' ' 6' ' ' PRO . 12.0 tp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.55 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.487 1.135 0 CA-C-O 120.83 0.262 . . . . 0.0 112.01 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.6 p -146.64 156.87 43.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.594 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.22 -164.08 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.24 166.1 38.8 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.582 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.48 83.15 1.94 Allowed 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 123.077 2.518 . . . . 0.0 112.006 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.488 ' C ' HD12 ' A' ' 7' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.597 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo . . . . . 0 N--CA 1.488 1.157 0 CA-C-O 120.794 0.248 . . . . 0.0 111.909 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.8 p -93.75 179.15 5.45 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 -178.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.2 t -90.0 -174.26 4.17 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.792 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.25 166.11 38.7 Favored Pre-proline 0 N--CA 1.461 0.124 0 C-N-CA 120.603 -0.439 . . . . 0.0 109.993 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -78.07 128.71 9.26 Favored 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.996 2.464 . . . . 0.0 111.828 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.1 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.385 -179.754 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo . . . . . 0 N--CA 1.488 1.159 0 CA-C-O 120.787 0.244 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 77.7 p -146.61 157.09 43.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.545 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.2 t -89.1 -168.86 2.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.577 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.61 167.41 30.19 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.611 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.46 121.15 6.23 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.991 2.461 . . . . 0.0 112.003 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 -179.808 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.488 1.172 0 CA-C-O 120.772 0.238 . . . . 0.0 111.993 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.8 p -146.54 93.09 2.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.543 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.97 151.09 23.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.57 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.9 p -83.64 162.58 52.63 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.584 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.5 151.84 37.8 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.001 2.467 . . . . 0.0 112.027 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.4 mt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.585 -179.555 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.488 1.192 0 CA-C-O 120.822 0.259 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -146.6 -171.44 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.535 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.12 134.28 16.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.544 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.5 p -82.41 150.4 63.58 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.611 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 121.96 3.65 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 123.073 2.515 . . . . 0.0 111.985 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.8 tp . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.492 -179.872 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.487 1.146 0 CA-C-O 120.817 0.257 . . . . 0.0 112.019 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -146.59 -168.19 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.593 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.1 t -150.65 -176.79 5.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.569 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.75 167.05 32.38 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.58 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.62 119.31 5.42 Favored 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 123.009 2.473 . . . . 0.0 112.019 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.541 -179.854 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.487 1.132 0 CA-C-O 120.801 0.251 . . . . 0.0 112.049 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.5 p -93.8 178.7 5.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.571 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.05 -173.38 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.559 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.23 166.11 38.77 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.6 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.641 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.2 Cg_exo -75.54 101.24 1.46 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.034 2.49 . . . . 0.0 111.962 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.641 ' C ' ' O ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.537 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.487 1.13 0 CA-C-O 120.801 0.25 . . . . 0.0 112.002 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -93.4 172.6 8.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.566 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.422 HG22 ' H ' ' A' ' 5' ' ' THR . 0.7 OUTLIER -89.99 -140.29 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.608 -179.815 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.422 ' H ' HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER -155.04 164.55 20.69 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.587 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.51 151.08 36.87 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 123.067 2.511 . . . . 0.0 112.022 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.447 ' HA ' HD22 ' A' ' 7' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.544 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.487 1.121 0 CA-C-O 120.818 0.258 . . . . 0.0 111.96 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -146.6 143.32 28.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.558 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.0 t -89.39 -177.72 5.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.548 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.9 p -82.46 150.57 63.79 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.648 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.52 114.24 0.57 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.992 2.462 . . . . 0.0 111.975 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.874 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.647 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.488 1.162 0 CA-C-O 120.797 0.249 . . . . 0.0 111.978 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 50.6 p -94.61 -158.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.555 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.8 t -149.83 173.14 14.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.562 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.42 166.95 33.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.591 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.639 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.1 Cg_exo -75.44 120.82 6.08 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 123.021 2.481 . . . . 0.0 112.015 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.92 HD22 ' H ' ' A' ' 7' ' ' LEU . 3.6 mm? . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.583 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.489 1.212 0 CA-C-O 120.801 0.25 . . . . 0.0 111.99 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.9 p -93.89 179.34 5.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.601 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.03 -175.05 4.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.546 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.9 p -82.31 150.7 64.61 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.617 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 132.36 9.99 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.954 2.436 . . . . 0.0 111.999 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.0 mt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.602 -179.942 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.488 1.19 0 CA-C-O 120.827 0.261 . . . . 0.0 112.014 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.6 p -93.9 -162.93 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.544 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.522 ' O ' HG23 ' A' ' 5' ' ' THR . 0.3 OUTLIER -150.5 -164.83 2.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.571 -179.72 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 4' ' ' THR . 15.9 p -157.33 159.15 31.09 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.523 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.658 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.1 Cg_exo -75.48 89.34 1.2 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.049 2.499 . . . . 0.0 111.971 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.658 ' C ' ' O ' ' A' ' 6' ' ' PRO . 4.4 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.58 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.488 1.152 0 CA-C-O 120.821 0.259 . . . . 0.0 111.936 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 74.8 p -146.58 -157.01 0.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.11 169.86 20.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.05 -179.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.28 166.8 34.62 Favored Pre-proline 0 C--N 1.329 -0.321 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.67 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.19 97.5 1.09 Allowed 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.831 2.354 . . . . 0.0 112.003 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.829 ' H ' HD23 ' A' ' 7' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.523 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.487 1.124 0 CA-C-O 120.885 0.286 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -146.61 140.53 26.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.644 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.7 t -89.36 -178.11 5.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.356 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.5 167.0 33.08 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.054 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.665 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.5 Cg_exo -73.6 96.38 0.91 Allowed 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.656 2.237 . . . . 0.0 111.846 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.665 ' C ' ' O ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.298 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.488 1.172 0 CA-C-O 120.887 0.286 . . . . 0.0 111.956 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.6 p -93.65 179.22 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.551 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.97 -173.62 3.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.551 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.46 166.52 35.97 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.51 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.46 95.49 1.0 Allowed 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.028 2.485 . . . . 0.0 112.03 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.971 ' H ' HD23 ' A' ' 7' ' ' LEU . 1.6 pt? . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.557 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.488 1.194 0 CA-C-O 120.797 0.249 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.4 p -146.48 -126.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.692 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.853 HG22 ' H ' ' A' ' 5' ' ' THR . 24.2 m -150.93 178.34 9.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.571 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.853 ' H ' HG22 ' A' ' 4' ' ' THR . 1.1 p -82.16 161.62 59.52 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.619 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.646 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.2 Cg_exo -75.47 74.15 4.34 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 123.276 2.65 . . . . 0.0 112.639 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.646 ' C ' ' O ' ' A' ' 6' ' ' PRO . 17.2 tp . . . . . 0 C--N 1.332 -0.184 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.488 1.161 0 CA-C-O 120.76 0.233 . . . . 0.0 111.984 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 75.2 p -146.56 159.53 43.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.517 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.11 -167.05 1.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.559 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.34 164.46 47.66 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.545 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.446 ' O ' ' O ' ' A' ' 7' ' ' LEU . 3.2 Cg_exo -75.59 40.07 0.68 Allowed 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.995 2.463 . . . . 0.0 111.996 -179.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.446 ' O ' ' O ' ' A' ' 6' ' ' PRO . 1.1 tp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.502 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.488 1.183 0 CA-C-O 120.814 0.256 . . . . 0.0 112.002 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.6 p -93.93 177.75 5.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.538 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.0 t -90.03 -171.67 3.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.598 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.66 167.13 31.95 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.616 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.5 119.67 5.6 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 123.004 2.47 . . . . 0.0 112.036 179.377 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.57 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.488 1.151 0 CA-C-O 120.721 0.217 . . . . 0.0 111.92 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.6 p -146.55 96.78 2.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.564 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -88.16 148.95 24.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.7 p -83.56 162.57 52.86 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.606 -179.895 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.58 151.45 37.0 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.999 2.466 . . . . 0.0 111.922 -179.698 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.3 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.558 -179.627 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.488 1.172 0 CA-C-O 120.818 0.258 . . . . 0.0 111.986 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -93.83 -167.39 1.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.599 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.53 163.55 38.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.53 -179.784 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.47 166.21 37.73 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.567 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.653 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.2 Cg_exo -75.5 64.78 6.5 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 123.02 2.48 . . . . 0.0 111.976 179.692 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.653 ' C ' ' O ' ' A' ' 6' ' ' PRO . 1.6 tt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.615 -179.867 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.488 1.187 0 CA-C-O 120.819 0.258 . . . . 0.0 111.985 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.5 p -94.26 -158.33 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.542 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.5 t -149.8 172.29 15.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.579 -179.751 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.54 166.6 35.37 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.554 -179.758 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.5 107.9 2.58 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 123.046 2.497 . . . . 0.0 111.936 179.554 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.53 -179.827 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.487 1.103 0 CA-C-O 120.775 0.24 . . . . 0.0 112.07 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.2 p -93.38 91.64 7.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.577 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.5 t -89.11 161.66 16.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.612 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.8 p -82.72 148.35 57.62 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.583 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 150.79 0.71 Allowed 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 123.015 2.477 . . . . 0.0 111.97 -179.56 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.073 ' H ' HD12 ' A' ' 7' ' ' LEU . 3.4 mp . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.55 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.488 1.178 0 CA-C-O 120.793 0.247 . . . . 0.0 112.002 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.9 p -93.64 -178.74 4.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.595 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.72 -176.79 5.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.575 -179.909 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.4 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 1.4 p -82.21 160.36 62.88 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.569 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.47 162.01 36.56 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 123.068 2.512 . . . . 0.0 112.01 179.894 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.557 179.917 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.488 1.158 0 CA-C-O 120.933 0.306 . . . . 0.0 111.8 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -93.42 179.04 5.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.42 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.8 t -89.78 -171.79 3.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.25 0.548 . . . . 0.0 109.692 -179.81 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.87 168.94 19.69 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.756 -179.775 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -76.07 94.74 1.01 Allowed 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 123.215 2.61 . . . . 0.0 112.327 179.403 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.666 ' C ' HD12 ' A' ' 7' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.642 -179.621 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo . . . . . 0 N--CA 1.49 1.281 0 CA-C-O 120.765 0.235 . . . . 0.0 111.874 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -93.83 -179.63 5.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.981 -179.898 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.65 -176.41 4.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.143 0.496 . . . . 0.0 110.101 -179.816 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.33 160.13 63.09 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.631 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -68.43 160.5 48.92 Favored 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 121.867 1.711 . . . . 0.0 111.099 179.734 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.758 -179.752 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.487 1.138 0 CA-C-O 120.863 0.276 . . . . 0.0 111.947 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.7 p -146.63 -162.88 1.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.564 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.6 HG23 ' N ' ' A' ' 5' ' ' THR . 7.1 t -150.45 -154.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.58 -179.7 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.6 ' N ' HG23 ' A' ' 4' ' ' THR . 19.2 p -156.3 150.71 20.07 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.544 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.48 135.04 9.4 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 123.058 2.505 . . . . 0.0 112.013 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.561 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.53 103.43 1.74 Allowed 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 123.038 2.492 . . . . 0.0 111.997 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 48.0 p -94.15 -159.86 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.586 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.0 t -149.99 173.67 13.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.603 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.64 166.3 36.93 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.577 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.54 127.36 10.26 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.033 2.488 . . . . 0.0 111.95 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.7 mt -58.51 129.74 43.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.587 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.4 ttmm -71.8 -23.28 61.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.592 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.137 -1.602 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.19 111.08 3.23 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 123.015 2.477 . . . . 0.0 112.023 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.6 p -93.41 -163.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.218 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.1 t -150.62 164.23 36.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.109 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.52 161.36 59.39 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -69.96 137.21 34.36 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.394 2.063 . . . . 0.0 111.975 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mt -58.67 128.64 38.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.719 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.46 ' NZ ' ' CB ' ' A' ' 8' ' ' LYS . 1.1 mtmp? -71.8 151.09 43.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.449 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.317 0 O-C-N 120.149 -1.595 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.45 -165.46 0.29 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 123.036 2.491 . . . . 0.0 112.001 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 79.5 p -146.56 158.72 43.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.514 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.507 ' OG1' ' N ' ' A' ' 5' ' ' THR . 4.9 t -89.08 -165.22 1.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.632 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.507 ' N ' ' OG1' ' A' ' 4' ' ' THR . 0.1 OUTLIER -82.29 165.86 40.15 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.602 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.659 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.1 Cg_exo -75.52 62.79 6.35 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.047 2.498 . . . . 0.0 111.988 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.659 ' C ' ' O ' ' A' ' 6' ' ' PRO . 12.0 tp 13.77 99.04 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.55 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.574 ' NZ ' ' CB ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -71.76 83.11 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.565 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 120.16 -1.587 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.479 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.064 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.49 144.97 29.3 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 123.067 2.511 . . . . 0.0 112.01 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.6 p -146.64 156.87 43.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.594 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.482 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 0.2 OUTLIER -89.22 -164.08 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 -179.781 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.24 166.1 38.8 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.582 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.48 83.15 1.94 Allowed 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 123.077 2.518 . . . . 0.0 112.006 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.982 HD12 ' N ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER 178.55 138.21 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.597 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.982 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -168.15 112.43 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.595 -179.908 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 120.171 -1.581 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.482 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . 0.683 ' H8A' ' O ' ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -77.03 128.31 9.84 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.695 2.263 . . . . 0.0 111.909 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.8 p -93.75 179.15 5.45 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 -178.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.478 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 10.2 t -90.0 -174.26 4.17 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.792 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.25 166.11 38.7 Favored Pre-proline 0 N--CA 1.461 0.124 0 C-N-CA 120.603 -0.439 . . . . 0.0 109.993 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -78.07 128.71 9.26 Favored 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.996 2.464 . . . . 0.0 111.828 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' A' ' 9' ' ' NH2 . 5.1 mt -58.55 128.29 36.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.385 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 7' ' ' LEU . 0.4 OUTLIER 31.79 35.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.507 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . 0.524 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 120.047 -1.658 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.478 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.59 29.14 0.38 Allowed 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 123.013 2.475 . . . . 0.0 111.955 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 77.7 p -146.61 157.09 43.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.545 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.2 t -89.1 -168.86 2.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.577 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.61 167.41 30.19 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.611 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.46 121.15 6.23 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.991 2.461 . . . . 0.0 112.003 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mt -58.58 135.42 57.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -71.82 -74.55 0.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.566 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 120.162 -1.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.43 29.1 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 123.082 2.522 . . . . 0.0 111.993 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.586 ' O ' ' N2 ' ' A' ' 10' ' ' A2G . 23.8 p -146.54 93.09 2.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.543 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.97 151.09 23.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.57 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.9 p -83.64 162.58 52.63 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.584 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.5 151.84 37.8 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.001 2.467 . . . . 0.0 112.027 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.4 mt -57.97 108.0 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.585 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.23 74.48 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.512 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 120.069 -1.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.586 ' N2 ' ' O ' ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.53 175.72 10.91 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 123.039 2.493 . . . . 0.0 111.935 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -146.6 -171.44 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.535 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.12 134.28 16.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.544 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.5 p -82.41 150.4 63.58 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.611 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 121.96 3.65 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 123.073 2.515 . . . . 0.0 111.985 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.506 ' O ' ' C ' ' A' ' 8' ' ' LYS . 16.8 tp -58.84 110.68 1.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.492 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.506 ' C ' ' O ' ' A' ' 7' ' ' LEU . 18.7 tttp 31.58 -94.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.555 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . 0.485 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 120.094 -1.629 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.052 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.48 137.87 7.98 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.958 2.438 . . . . 0.0 112.019 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -146.59 -168.19 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.593 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.1 t -150.65 -176.79 5.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.569 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.75 167.05 32.38 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.58 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.62 119.31 5.42 Favored 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 123.009 2.473 . . . . 0.0 112.019 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 mt -58.73 137.59 57.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.541 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -71.82 -174.33 1.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.558 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 120.186 -1.571 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.164 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.38 169.08 23.2 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 123.103 2.535 . . . . 0.0 112.049 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.5 p -93.8 178.7 5.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.571 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.481 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 0.2 OUTLIER -90.05 -173.38 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.559 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.23 166.11 38.77 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.6 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.641 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.2 Cg_exo -75.54 101.24 1.46 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.034 2.49 . . . . 0.0 111.962 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.641 ' C ' ' O ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER 13.13 104.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.537 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.574 ' CB ' ' O ' ' A' ' 7' ' ' LEU . 29.6 tttm 85.95 136.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.525 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.3 0 O-C-N 120.13 -1.607 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.481 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.036 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.54 125.46 8.98 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.982 2.455 . . . . 0.0 112.002 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -93.4 172.6 8.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.566 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.422 HG22 ' H ' ' A' ' 5' ' ' THR . 0.7 OUTLIER -89.99 -140.29 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.608 -179.815 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.422 ' H ' HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER -155.04 164.55 20.69 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.587 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.51 151.08 36.87 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 123.067 2.511 . . . . 0.0 112.022 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.647 HD12 ' H ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -178.81 -133.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.544 179.771 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.647 ' H ' HD12 ' A' ' 7' ' ' LEU . 25.5 mtmt 31.57 -115.49 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.532 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 120.173 -1.579 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.55 154.76 40.16 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 123.011 2.474 . . . . 0.0 111.96 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -146.6 143.32 28.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.558 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.0 t -89.39 -177.72 5.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.548 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.9 p -82.46 150.57 63.79 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.648 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.52 114.24 0.57 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.992 2.462 . . . . 0.0 111.975 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.874 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -58.63 -172.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.647 179.831 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 7' ' ' LEU . 8.8 mttp 31.71 -104.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.545 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 120.147 -1.595 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.49 -161.34 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.048 2.499 . . . . 0.0 111.978 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 50.6 p -94.61 -158.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.555 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.8 t -149.83 173.14 14.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.562 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.42 166.95 33.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.591 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.639 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.1 Cg_exo -75.44 120.82 6.08 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 123.021 2.481 . . . . 0.0 112.015 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.92 HD22 ' H ' ' A' ' 7' ' ' LEU . 3.6 mm? 16.1 -126.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.583 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -71.79 -50.04 33.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.584 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 120.148 -1.595 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.59 145.15 29.16 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.994 2.463 . . . . 0.0 111.99 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.9 p -93.89 179.34 5.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.601 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.486 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 0.3 OUTLIER -90.03 -175.05 4.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.546 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.9 p -82.31 150.7 64.61 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.617 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 132.36 9.99 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.954 2.436 . . . . 0.0 111.999 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.57 ' O ' ' CB ' ' A' ' 8' ' ' LYS . 4.0 mt -58.66 128.95 39.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.602 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.57 ' CB ' ' O ' ' A' ' 7' ' ' LEU . 6.5 ttmm 85.88 -65.62 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.579 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 120.18 -1.575 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.486 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.43 -174.19 1.9 Allowed 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 123.047 2.498 . . . . 0.0 112.014 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.6 p -93.9 -162.93 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.544 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.522 ' O ' HG23 ' A' ' 5' ' ' THR . 0.3 OUTLIER -150.5 -164.83 2.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.571 -179.72 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 4' ' ' THR . 15.9 p -157.33 159.15 31.09 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.523 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.658 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.1 Cg_exo -75.48 89.34 1.2 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.049 2.499 . . . . 0.0 111.971 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.658 ' C ' ' O ' ' A' ' 6' ' ' PRO . 4.4 mt 13.66 93.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.58 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 7' ' ' LEU . 17.3 mtpp 31.62 -93.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.594 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . 0.501 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 120.188 -1.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.42 -167.07 0.4 Allowed 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 123.104 2.536 . . . . 0.0 111.936 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 74.8 p -146.58 -157.01 0.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.11 169.86 20.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.05 -179.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.28 166.8 34.62 Favored Pre-proline 0 C--N 1.329 -0.321 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.67 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.19 97.5 1.09 Allowed 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.831 2.354 . . . . 0.0 112.003 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.829 ' H ' HD23 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -59.24 178.93 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.523 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.515 ' C ' ' O ' ' A' ' 7' ' ' LEU . 8.5 ptmt 30.13 42.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.597 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . 0.44 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 120.103 -1.623 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.24 127.92 9.38 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.964 2.443 . . . . 0.0 111.955 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -146.61 140.53 26.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.644 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.7 t -89.36 -178.11 5.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.356 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.5 167.0 33.08 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.054 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.665 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.5 Cg_exo -73.6 96.38 0.91 Allowed 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.656 2.237 . . . . 0.0 111.846 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.665 ' C ' ' O ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER 13.03 104.19 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.298 -179.827 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.449 ' O ' ' CG ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -168.2 47.62 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.593 -179.878 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 120.072 -1.642 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.51 146.28 30.72 Favored 'Trans proline' 0 C--N 1.304 -1.802 0 C-N-CA 123.027 2.485 . . . . 0.0 111.956 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.6 p -93.65 179.22 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.551 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.49 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 0.1 OUTLIER -89.97 -173.62 3.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.551 -179.888 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.46 166.52 35.97 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.51 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.46 95.49 1.0 Allowed 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.028 2.485 . . . . 0.0 112.03 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.971 ' H ' HD23 ' A' ' 7' ' ' LEU . 1.6 pt? -58.42 -176.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.557 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -168.2 -30.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.551 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.386 0 O-C-N 120.23 -1.544 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.49 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.58 -174.96 2.2 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.952 2.434 . . . . 0.0 111.974 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.4 p -146.48 -126.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.692 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.853 HG22 ' H ' ' A' ' 5' ' ' THR . 24.2 m -150.93 178.34 9.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.571 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.853 ' H ' HG22 ' A' ' 4' ' ' THR . 1.1 p -82.16 161.62 59.52 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.619 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.646 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.2 Cg_exo -75.47 74.15 4.34 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 123.276 2.65 . . . . 0.0 112.639 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.646 ' C ' ' O ' ' A' ' 6' ' ' PRO . 17.2 tp 13.75 96.67 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.509 ' C ' ' O ' ' A' ' 7' ' ' LEU . 6.6 tttp 31.74 62.19 0.27 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.474 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.144 -1.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.478 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.16 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.48 170.62 19.87 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 123.053 2.502 . . . . 0.0 111.984 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 75.2 p -146.56 159.53 43.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.517 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.474 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 0.1 OUTLIER -89.11 -167.05 1.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.559 -179.769 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.34 164.46 47.66 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.545 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.446 ' O ' ' O ' ' A' ' 7' ' ' LEU . 3.2 Cg_exo -75.59 40.07 0.68 Allowed 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.995 2.463 . . . . 0.0 111.996 -179.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.577 ' CG ' ' H ' ' A' ' 8' ' ' LYS . 1.1 tp -59.12 -144.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.502 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.577 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 14.0 tptm -71.77 -97.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.592 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.385 0 O-C-N 120.166 -1.584 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.474 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.405 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.232 0.169 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.8 Cg_endo -44.59 174.52 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 123.061 2.507 . . . . 0.0 112.002 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.6 p -93.93 177.75 5.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.538 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.494 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 13.0 t -90.03 -171.67 3.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.598 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.66 167.13 31.95 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.616 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.5 119.67 5.6 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 123.004 2.47 . . . . 0.0 112.036 179.377 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.652 HD23 ' N ' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -58.7 136.05 57.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.57 -179.878 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.652 ' N ' HD23 ' A' ' 7' ' ' LEU . 21.4 tttp 85.78 127.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.616 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 120.17 -1.581 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.494 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.47 29.14 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 123.045 2.496 . . . . 0.0 111.92 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.59 ' O ' ' N2 ' ' A' ' 10' ' ' A2G . 21.6 p -146.55 96.78 2.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.564 179.931 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -88.16 148.95 24.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.7 p -83.56 162.57 52.86 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.606 -179.895 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.58 151.45 37.0 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.999 2.466 . . . . 0.0 111.922 -179.698 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.496 ' O ' ' C ' ' A' ' 8' ' ' LYS . 9.3 mt -58.02 108.84 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.558 -179.627 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.496 ' C ' ' O ' ' A' ' 7' ' ' LEU . 6.1 ttmt 31.66 -136.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.514 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 120.121 -1.612 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.59 ' N2 ' ' O ' ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.45 174.55 12.62 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 123.055 2.504 . . . . 0.0 111.986 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -93.83 -167.39 1.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.599 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.53 163.55 38.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.53 -179.784 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.47 166.21 37.73 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.567 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.653 ' O ' ' C ' ' A' ' 7' ' ' LEU . 3.2 Cg_exo -75.5 64.78 6.5 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 123.02 2.48 . . . . 0.0 111.976 179.692 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.653 ' C ' ' O ' ' A' ' 6' ' ' PRO . 1.6 tt 14.24 93.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.615 -179.867 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -71.76 47.85 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.554 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 O-C-N 120.16 -1.587 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.45 29.19 0.37 Allowed 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 123.021 2.481 . . . . 0.0 111.985 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.5 p -94.26 -158.33 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.542 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.5 t -149.8 172.29 15.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.579 -179.751 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.54 166.6 35.37 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.554 -179.758 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.5 107.9 2.58 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 123.046 2.497 . . . . 0.0 111.936 179.554 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.572 ' CD2' ' H ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER 179.74 -168.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.53 -179.827 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.572 ' H ' ' CD2' ' A' ' 7' ' ' LEU . 13.2 tttt 31.57 -131.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.545 -179.869 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . 0.433 ' N ' ' CG ' ' A' ' 8' ' ' LYS . . . . . . . . 0 C--N 1.306 -1.314 0 O-C-N 120.082 -1.636 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.52 150.92 36.65 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.024 2.483 . . . . 0.0 112.07 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.563 ' O ' ' N2 ' ' A' ' 10' ' ' A2G . 32.2 p -93.38 91.64 7.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.577 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.5 t -89.11 161.66 16.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.612 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.8 p -82.72 148.35 57.62 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.583 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.687 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.9 Cg_endo -44.59 150.79 0.71 Allowed 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 123.015 2.477 . . . . 0.0 111.97 -179.56 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.073 ' H ' HD12 ' A' ' 7' ' ' LEU . 3.4 mp -60.74 15.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.55 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.687 ' H ' ' C ' ' A' ' 6' ' ' PRO . 16.0 tptp 31.64 78.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.568 -179.93 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 120.104 -1.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.563 ' N2 ' ' O ' ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 157.14 0.19 Allowed 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 123.068 2.512 . . . . 0.0 112.002 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.9 p -93.64 -178.74 4.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.595 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.49 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 0.2 OUTLIER -89.72 -176.79 5.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.575 -179.909 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.4 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 1.4 p -82.21 160.36 62.88 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.569 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.47 162.01 36.56 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 123.068 2.512 . . . . 0.0 112.01 179.894 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.49 ' O ' ' C ' ' A' ' 8' ' ' LYS . 1.3 tp -178.2 -147.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.557 179.917 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.49 ' C ' ' O ' ' A' ' 7' ' ' LEU . 14.3 ttmt 31.65 -95.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.556 -179.908 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . 0.47 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . . . . . . 0 C--N 1.303 -1.417 0 O-C-N 120.164 -1.585 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.49 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.052 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -76.06 -167.49 0.45 Allowed 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 123.078 2.519 . . . . 0.0 111.8 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -93.42 179.04 5.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.42 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.48 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 8.8 t -89.78 -171.79 3.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.25 0.548 . . . . 0.0 109.692 -179.81 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.87 168.94 19.69 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.756 -179.775 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -76.07 94.74 1.01 Allowed 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 123.215 2.61 . . . . 0.0 112.327 179.403 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.683 HD12 ' N ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -58.79 151.92 20.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.642 -179.621 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.683 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -168.13 156.87 9.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.563 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 120.151 -1.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.48 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -71.77 111.35 3.12 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.788 2.325 . . . . 0.0 111.874 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -93.83 -179.63 5.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.981 -179.898 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.487 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 0.1 OUTLIER -89.65 -176.41 4.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.143 0.496 . . . . 0.0 110.101 -179.816 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.33 160.13 63.09 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.631 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -68.43 160.5 48.92 Favored 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 121.867 1.711 . . . . 0.0 111.099 179.734 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.484 ' O ' ' C ' ' A' ' 8' ' ' LYS . 1.1 tp -178.05 -145.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.758 -179.752 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.484 ' C ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER 31.95 -146.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.458 -179.877 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 120.153 -1.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.487 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.064 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.52 -162.61 0.16 Allowed 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 123.037 2.492 . . . . 0.0 111.947 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.7 p -146.63 -162.88 1.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.564 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.6 HG23 ' N ' ' A' ' 5' ' ' THR . 7.1 t -150.45 -154.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.58 -179.7 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.6 ' N ' HG23 ' A' ' 4' ' ' THR . 19.2 p -156.3 150.71 20.07 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.544 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.48 135.04 9.4 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 123.058 2.505 . . . . 0.0 112.013 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mt -58.7 124.56 20.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.561 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -71.74 -175.23 1.32 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.573 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 120.145 -1.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_