data_2gfr_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 2gfr _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 . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.893 0 N-CA-C 110.964 -0.437 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.95 143.74 92.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -28.01 9.55 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.487 1.782 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -69.94 -47.15 63.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.26 -22.59 57.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -65.54 -26.8 68.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -75.1 -26.33 59.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.1 -21.07 78.84 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.467 1.105 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 tt -59.37 -23.03 62.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.5 tmm? . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.98 141.81 89.84 Favored Pre-proline 0 C--N 1.326 -0.413 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -29.4 8.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.428 1.752 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -69.98 -46.58 64.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.26 -22.63 57.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -64.7 -27.53 68.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -75.11 -25.96 58.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.1 -20.53 79.21 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 tt -60.82 -22.83 64.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 0.723 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.818 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -83.99 132.42 48.37 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 109.25 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -29.64 8.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.43 1.753 . . . . 0.0 111.014 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -69.89 -46.51 65.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.23 -22.66 57.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.367 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -64.75 -27.38 68.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -75.15 -26.08 58.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.08 -20.53 79.24 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.415 1.072 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.5 tt -58.57 -23.08 57.71 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.593 0.819 . . . . 0.0 109.341 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.555 1.16 . . . . 0.0 111.042 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 111.064 -0.398 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -73.85 132.74 79.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.37 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -29.57 8.06 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.466 1.771 . . . . 0.0 111.03 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -70.03 -46.43 65.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.27 -22.91 57.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -64.37 -27.65 69.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.938 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -75.09 -25.92 58.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.07 -20.43 79.32 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.503 1.127 . . . . 0.0 111.042 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 tt -60.42 -22.51 63.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.771 . . . . 0.0 109.258 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.829 0 N-CA-C 110.955 -0.44 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.09 144.02 89.42 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -27.99 9.59 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.553 1.817 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -70.42 -47.06 62.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.29 -22.48 57.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.315 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -65.09 -27.2 68.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 94.2 t80 -75.16 -26.08 58.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.15 -20.73 79.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.79 -23.16 59.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 0.739 . . . . 0.0 109.352 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 111.047 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.89 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.87 143.92 30.81 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.232 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -28.12 9.37 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.423 1.749 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.32 -47.04 62.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.075 . . . . 0.0 109.355 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.23 -22.6 57.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -65.03 -27.24 68.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -75.1 -26.12 59.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.12 -20.78 79.02 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.454 1.096 . . . . 0.0 110.951 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.3 tt -57.06 -21.46 31.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 0.806 . . . . 0.0 109.26 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.918 0 N-CA-C 111.016 -0.417 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.53 132.81 37.8 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -29.61 7.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.472 1.775 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -69.93 -46.53 65.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.29 -22.68 57.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -64.71 -27.39 68.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -75.15 -25.93 58.74 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 111.063 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.17 -20.53 79.07 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 tt -60.1 -22.87 63.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 0.742 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 110.968 -0.435 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -88.25 144.05 33.6 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -27.9 9.61 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.467 1.772 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -70.43 -47.08 62.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.426 1.079 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.28 -22.63 57.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 3.5 t80 -64.96 -27.31 68.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -75.09 -26.07 59.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.2 -20.55 79.02 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 tt -57.25 -20.7 29.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.596 0.821 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 110.976 -0.432 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.86 144.14 32.6 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -27.76 9.65 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.559 1.82 . . . . 0.0 111.004 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -70.46 -47.11 62.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.3 -22.54 57.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.372 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -65.03 -27.21 68.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -75.17 -26.03 58.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.24 -20.68 78.87 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 tt -59.11 -22.98 61.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.417 0.716 . . . . 0.0 109.292 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 110.973 -0.433 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.75 144.22 36.83 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -27.67 9.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.5 1.789 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -70.64 -47.11 61.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.087 . . . . 0.0 109.283 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.19 -22.59 57.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -65.08 -27.18 68.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 110.996 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -75.18 -26.08 58.76 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.445 1.091 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.04 -20.77 79.19 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.563 1.165 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.5 tt -55.11 -21.74 14.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.949 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.913 0 N-CA-C 110.956 -0.44 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.05 132.66 39.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -29.67 8.05 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.468 1.773 . . . . 0.0 111.02 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -69.94 -46.46 65.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.32 -22.63 57.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.246 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -64.74 -27.38 68.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -75.25 -25.9 58.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.06 -20.65 79.22 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.135 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.3 tt -56.41 -20.86 21.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.757 . . . . 0.0 109.364 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.919 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -79.03 128.7 75.46 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -29.22 8.53 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.499 1.789 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -69.92 -46.73 64.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.27 -22.38 57.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -64.99 -27.42 68.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -75.21 -25.92 58.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.098 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.11 -20.56 79.17 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.546 1.154 . . . . 0.0 111.0 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tt -55.83 -19.79 12.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 0.748 . . . . 0.0 109.318 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 110.948 -0.443 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.403 ' CG ' ' CB ' ' A' ' 6' ' ' ALA . 2.6 p30 -77.45 128.1 81.08 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -29.42 8.19 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.513 1.796 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -70.08 -46.44 64.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.221 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.403 ' CB ' ' CG ' ' A' ' 3' ' ' ASP . . . -75.26 -22.78 57.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -64.6 -27.55 69.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -75.14 -25.91 58.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.07 -20.45 79.3 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 tt -58.46 -22.63 55.33 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.44 0.73 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.461 ' CE ' ' HA ' ' A' ' 11' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.912 0 N-CA-C 110.961 -0.438 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.56 144.22 91.12 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -27.75 9.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.537 1.809 . . . . 0.0 110.982 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.72 -47.01 61.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.39 -22.32 57.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -65.14 -27.24 68.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -75.25 -25.95 58.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.16 -20.61 79.04 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.544 1.153 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 tt -59.77 -22.02 61.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 111.045 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 111.004 -0.422 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -73.9 132.76 79.8 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -29.72 7.99 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.467 1.772 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -69.89 -46.41 65.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.582 1.176 . . . . 0.0 109.33 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.32 -22.79 57.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -64.63 -27.35 68.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -75.19 -25.95 58.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.08 -20.64 79.18 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.6 tt -58.18 -21.62 48.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.415 0.715 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.968 0 N-CA-C 111.036 -0.409 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -81.7 132.43 54.79 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -29.61 8.04 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.531 1.806 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -69.86 -46.44 65.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.34 -22.84 57.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.207 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -64.57 -27.44 68.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -75.2 -25.9 58.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.08 -20.49 79.26 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 tt -56.19 -22.15 27.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 0.817 . . . . 0.0 109.3 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.947 0 N-CA-C 110.993 -0.426 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.405 ' CG ' ' CB ' ' A' ' 6' ' ' ALA . 2.4 p30 -84.69 128.78 59.63 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.38 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -29.51 8.2 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -69.86 -46.56 65.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.405 ' CB ' ' CG ' ' A' ' 3' ' ' ASP . . . -75.27 -22.72 57.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -64.66 -27.45 68.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -75.18 -25.82 58.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.07 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.24 -20.57 78.93 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.4 tt -59.75 -19.72 52.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 0.792 . . . . 0.0 109.329 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.922 0 N-CA-C 111.032 -0.411 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.94 143.87 30.65 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 109.218 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -28.09 9.56 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.423 1.749 . . . . 0.0 111.05 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -70.25 -47.07 62.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.3 -22.57 57.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -65.09 -27.14 68.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -75.11 -26.12 58.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.6 1.187 . . . . 0.0 111.068 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.09 -20.85 79.04 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.0 tt -56.98 -20.77 25.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.163 . . . . 0.0 111.077 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.956 0 N-CA-C 111.02 -0.416 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -89.67 143.66 30.72 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.369 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -28.13 9.51 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.593 1.838 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -70.25 -47.05 63.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.28 -22.54 57.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -65.27 -27.03 68.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -75.1 -26.17 59.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 111.04 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.17 -20.86 78.88 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.5 tt -57.17 -18.7 16.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.776 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.4 ttm . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.958 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.451 -0.975 0 N-CA-C 111.048 -0.404 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -80.92 143.75 54.09 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.228 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -28.18 9.51 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.526 1.803 . . . . 0.0 111.021 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -70.33 -47.05 62.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.25 -22.42 57.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -65.07 -27.35 68.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -75.13 -25.96 58.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.04 -20.75 79.19 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.458 1.099 . . . . 0.0 111.081 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.1 tt -57.4 -20.19 28.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . 0.468 ' HG3' ' CB ' ' A' ' 6' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 111.397 0.147 . . . . 0.0 111.397 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 0.31 9.05 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.474 1.776 . . . . 0.0 110.964 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.95 143.74 92.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -28.01 9.55 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.487 1.782 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -69.94 -47.15 63.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.468 ' CB ' ' HG3' ' A' ' 1' ' ' PCA . . . -75.26 -22.59 57.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -65.54 -26.8 68.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -75.1 -26.33 59.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.1 -21.07 78.84 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.467 1.105 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 tt -59.37 -23.03 62.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.5 tmm? . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . 0.409 ' HG3' ' CB ' ' A' ' 6' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 119.775 -0.155 . . . . 0.0 111.411 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 0.21 9.17 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.503 1.791 . . . . 0.0 111.021 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.98 141.81 89.84 Favored Pre-proline 0 C--N 1.326 -0.413 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -29.4 8.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.428 1.752 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -69.98 -46.58 64.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.409 ' CB ' ' HG3' ' A' ' 1' ' ' PCA . . . -75.26 -22.63 57.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -64.7 -27.53 68.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -75.11 -25.96 58.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.1 -20.53 79.21 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 tt -60.82 -22.83 64.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 0.723 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 111.429 0.159 . . . . 0.0 111.429 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -5.81 17.3 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.502 1.791 . . . . 0.0 110.996 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -83.99 132.42 48.37 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 109.25 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -29.64 8.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.43 1.753 . . . . 0.0 111.014 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -69.89 -46.51 65.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.23 -22.66 57.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.367 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -64.75 -27.38 68.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -75.15 -26.08 58.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.08 -20.53 79.24 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.415 1.072 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.5 tt -58.57 -23.08 57.71 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.593 0.819 . . . . 0.0 109.341 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.555 1.16 . . . . 0.0 111.042 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 111.391 0.145 . . . . 0.0 111.391 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -21.78 15.53 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 111.064 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -73.85 132.74 79.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.37 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -29.57 8.06 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.466 1.771 . . . . 0.0 111.03 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -70.03 -46.43 65.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.27 -22.91 57.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -64.37 -27.65 69.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.938 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -75.09 -25.92 58.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.07 -20.43 79.32 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.503 1.127 . . . . 0.0 111.042 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 tt -60.42 -22.51 63.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.771 . . . . 0.0 109.258 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . 0.42 ' C ' ' H ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.42 0 N-CA-C 111.39 0.144 . . . . 0.0 111.39 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 43.6 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 110.955 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.42 ' H ' ' C ' ' A' ' 1' ' ' PCA . 2.1 m-20 -71.09 144.02 89.42 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -27.99 9.59 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.553 1.817 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -70.42 -47.06 62.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.29 -22.48 57.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.315 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -65.09 -27.2 68.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 94.2 t80 -75.16 -26.08 58.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.15 -20.73 79.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.79 -23.16 59.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 0.739 . . . . 0.0 109.352 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 111.047 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . 0.417 ' C ' ' H ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 111.393 0.146 . . . . 0.0 111.393 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 43.59 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.495 1.787 . . . . 0.0 111.006 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.417 ' H ' ' C ' ' A' ' 1' ' ' PCA . 0.5 OUTLIER -89.87 143.92 30.81 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.232 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -28.12 9.37 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.423 1.749 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.32 -47.04 62.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.075 . . . . 0.0 109.355 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.23 -22.6 57.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -65.03 -27.24 68.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -75.1 -26.12 59.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.12 -20.78 79.02 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.454 1.096 . . . . 0.0 110.951 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.3 tt -57.06 -21.46 31.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 0.806 . . . . 0.0 109.26 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . 0.424 ' C ' ' H ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.401 0 CA-C-O 119.765 -0.16 . . . . 0.0 111.394 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 43.57 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.524 1.802 . . . . 0.0 111.016 -179.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.424 ' H ' ' C ' ' A' ' 1' ' ' PCA . 0.3 OUTLIER -88.53 132.81 37.8 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -29.61 7.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.472 1.775 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -69.93 -46.53 65.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.29 -22.68 57.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -64.71 -27.39 68.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -75.15 -25.93 58.74 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 111.063 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.17 -20.53 79.07 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 tt -60.1 -22.87 63.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 0.742 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . 0.442 ' C ' ' H ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 111.42 0.155 . . . . 0.0 111.42 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 41.26 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.449 1.763 . . . . 0.0 110.968 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.442 ' H ' ' C ' ' A' ' 1' ' ' PCA . 43.9 m-20 -88.25 144.05 33.6 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -27.9 9.61 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.467 1.772 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -70.43 -47.08 62.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.426 1.079 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.28 -22.63 57.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 3.5 t80 -64.96 -27.31 68.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -75.09 -26.07 59.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.2 -20.55 79.02 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 tt -57.25 -20.7 29.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.596 0.821 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . 0.441 ' C ' ' H ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 119.783 -0.151 . . . . 0.0 111.395 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 41.26 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.557 1.82 . . . . 0.0 110.976 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.441 ' H ' ' C ' ' A' ' 1' ' ' PCA . 0.9 OUTLIER -88.86 144.14 32.6 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -27.76 9.65 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.559 1.82 . . . . 0.0 111.004 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -70.46 -47.11 62.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.3 -22.54 57.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.372 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -65.03 -27.21 68.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -75.17 -26.03 58.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.24 -20.68 78.87 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 tt -59.11 -22.98 61.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.417 0.716 . . . . 0.0 109.292 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . 0.442 ' C ' ' H ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 111.369 0.137 . . . . 0.0 111.369 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 41.22 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.781 . . . . 0.0 110.973 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.442 ' H ' ' C ' ' A' ' 1' ' ' PCA . 0.3 OUTLIER -86.75 144.22 36.83 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -27.67 9.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.5 1.789 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -70.64 -47.11 61.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.087 . . . . 0.0 109.283 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.19 -22.59 57.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -65.08 -27.18 68.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 110.996 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -75.18 -26.08 58.76 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.445 1.091 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.04 -20.77 79.19 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.563 1.165 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.5 tt -55.11 -21.74 14.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.949 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . 0.447 ' C ' ' H ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.413 0 N-CA-C 111.422 0.156 . . . . 0.0 111.422 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 41.39 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.471 1.774 . . . . 0.0 110.956 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.447 ' H ' ' C ' ' A' ' 1' ' ' PCA . 0.1 OUTLIER -88.05 132.66 39.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -29.67 8.05 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.468 1.773 . . . . 0.0 111.02 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -69.94 -46.46 65.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.32 -22.63 57.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.246 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -64.74 -27.38 68.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -75.25 -25.9 58.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.06 -20.65 79.22 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.135 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.3 tt -56.41 -20.86 21.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.757 . . . . 0.0 109.364 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . 0.44 ' C ' ' H ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 111.38 0.141 . . . . 0.0 111.38 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 41.21 0.71 Allowed 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.454 1.766 . . . . 0.0 111.021 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.44 ' H ' ' C ' ' A' ' 1' ' ' PCA . 2.4 p30 -79.03 128.7 75.46 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -29.22 8.53 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.499 1.789 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -69.92 -46.73 64.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.27 -22.38 57.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -64.99 -27.42 68.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -75.21 -25.92 58.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.098 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.11 -20.56 79.17 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.546 1.154 . . . . 0.0 111.0 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tt -55.83 -19.79 12.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 0.748 . . . . 0.0 109.318 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . 0.443 ' C ' ' H ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.424 0 CA-C-O 119.774 -0.155 . . . . 0.0 111.396 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 41.35 0.73 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.53 1.805 . . . . 0.0 110.948 -179.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.443 ' H ' ' C ' ' A' ' 1' ' ' PCA . 2.6 p30 -77.45 128.1 81.08 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -29.42 8.19 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.513 1.796 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -70.08 -46.44 64.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.221 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.403 ' CB ' ' CG ' ' A' ' 3' ' ' ASP . . . -75.26 -22.78 57.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -64.6 -27.55 69.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -75.14 -25.91 58.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.07 -20.45 79.3 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 tt -58.46 -22.63 55.33 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.44 0.73 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.461 ' CE ' ' HA ' ' A' ' 11' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . 1.009 ' CD ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.45 -0.429 0 N-CA-C 111.413 0.153 . . . . 0.0 111.413 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 1.009 ' HD3' ' CD ' ' A' ' 1' ' ' PCA . 18.2 Cg_endo -75.05 -14.45 21.02 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.443 1.76 . . . . 0.0 110.961 -179.203 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.56 144.22 91.12 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -27.75 9.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.537 1.809 . . . . 0.0 110.982 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.72 -47.01 61.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.39 -22.32 57.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -65.14 -27.24 68.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -75.25 -25.95 58.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.16 -20.61 79.04 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.544 1.153 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 tt -59.77 -22.02 61.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 111.045 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . 1.018 ' CD ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.424 0 CA-C-O 119.761 -0.161 . . . . 0.0 111.394 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 1.018 ' HD3' ' CD ' ' A' ' 1' ' ' PCA . 18.3 Cg_endo -75.06 -22.43 14.7 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.513 1.796 . . . . 0.0 111.004 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -73.9 132.76 79.8 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -29.72 7.99 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.467 1.772 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -69.89 -46.41 65.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.582 1.176 . . . . 0.0 109.33 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.32 -22.79 57.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -64.63 -27.35 68.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -75.19 -25.95 58.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.08 -20.64 79.18 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.6 tt -58.18 -21.62 48.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.415 0.715 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . 1.023 ' CD ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.45 -0.438 0 CA-C-O 119.759 -0.162 . . . . 0.0 111.376 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 1.023 ' HD3' ' CD ' ' A' ' 1' ' ' PCA . 18.2 Cg_endo -75.05 -19.2 17.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.47 1.774 . . . . 0.0 111.036 -179.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -81.7 132.43 54.79 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -29.61 8.04 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.531 1.806 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -69.86 -46.44 65.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.34 -22.84 57.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.207 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -64.57 -27.44 68.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -75.2 -25.9 58.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.08 -20.49 79.26 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 tt -56.19 -22.15 27.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 0.817 . . . . 0.0 109.3 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . 1.021 ' CD ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.408 0 CA-C-O 119.762 -0.161 . . . . 0.0 111.381 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 1.021 ' HD3' ' CD ' ' A' ' 1' ' ' PCA . 18.3 Cg_endo -74.99 -12.88 21.55 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.507 1.793 . . . . 0.0 110.993 -179.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.405 ' CG ' ' CB ' ' A' ' 6' ' ' ALA . 2.4 p30 -84.69 128.78 59.63 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.38 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -29.51 8.2 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -69.86 -46.56 65.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.405 ' CB ' ' CG ' ' A' ' 3' ' ' ASP . . . -75.27 -22.72 57.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -64.66 -27.45 68.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -75.18 -25.82 58.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.07 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.24 -20.57 78.93 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.4 tt -59.75 -19.72 52.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 0.792 . . . . 0.0 109.329 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . 1.015 ' CD ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 119.737 -0.173 . . . . 0.0 111.381 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 1.015 ' HD3' ' CD ' ' A' ' 1' ' ' PCA . 18.2 Cg_endo -75.01 43.53 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.505 1.792 . . . . 0.0 111.032 -179.191 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.419 ' H ' ' C ' ' A' ' 1' ' ' PCA . 0.4 OUTLIER -89.94 143.87 30.65 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 109.218 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -28.09 9.56 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.423 1.749 . . . . 0.0 111.05 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -70.25 -47.07 62.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.3 -22.57 57.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -65.09 -27.14 68.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -75.11 -26.12 58.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.6 1.187 . . . . 0.0 111.068 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.09 -20.85 79.04 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.0 tt -56.98 -20.77 25.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.163 . . . . 0.0 111.077 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . 1.013 ' CD ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.398 0 CA-C-O 119.748 -0.168 . . . . 0.0 111.36 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 1.013 ' HD3' ' CD ' ' A' ' 1' ' ' PCA . 18.2 Cg_endo -75.05 43.58 1.01 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 -179.212 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.417 ' H ' ' C ' ' A' ' 1' ' ' PCA . 8.2 m-20 -89.67 143.66 30.72 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.369 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -28.13 9.51 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.593 1.838 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -70.25 -47.05 63.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.28 -22.54 57.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -65.27 -27.03 68.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -75.1 -26.17 59.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 111.04 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.17 -20.86 78.88 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.5 tt -57.17 -18.7 16.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.776 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.4 ttm . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.958 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . 1.023 ' CD ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.45 -0.426 0 N-CA-C 111.415 0.154 . . . . 0.0 111.415 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 1.023 ' HD3' ' CD ' ' A' ' 1' ' ' PCA . 18.3 Cg_endo -74.98 43.54 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.469 1.773 . . . . 0.0 111.048 -179.243 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.422 ' H ' ' C ' ' A' ' 1' ' ' PCA . 57.5 m-20 -80.92 143.75 54.09 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.228 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -28.18 9.51 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.526 1.803 . . . . 0.0 111.021 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -70.33 -47.05 62.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.25 -22.42 57.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -65.07 -27.35 68.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -75.13 -25.96 58.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.04 -20.75 79.19 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.458 1.099 . . . . 0.0 111.081 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.1 tt -57.4 -20.19 28.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.893 0 N-CA-C 110.964 -0.437 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.95 143.74 92.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -28.01 9.55 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.487 1.782 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -69.94 -47.15 63.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.26 -22.59 57.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -65.54 -26.8 68.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -75.1 -26.33 59.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.1 -21.07 78.84 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.467 1.105 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 tt -59.37 -23.03 62.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.5 tmm? . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.98 141.81 89.84 Favored Pre-proline 0 C--N 1.326 -0.413 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -29.4 8.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.428 1.752 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -69.98 -46.58 64.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.26 -22.63 57.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -64.7 -27.53 68.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -75.11 -25.96 58.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.1 -20.53 79.21 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 tt -60.82 -22.83 64.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 0.723 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.818 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -83.99 132.42 48.37 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 109.25 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -29.64 8.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.43 1.753 . . . . 0.0 111.014 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -69.89 -46.51 65.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.23 -22.66 57.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.367 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -64.75 -27.38 68.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -75.15 -26.08 58.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.08 -20.53 79.24 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.415 1.072 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.5 tt -58.57 -23.08 57.71 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.593 0.819 . . . . 0.0 109.341 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.555 1.16 . . . . 0.0 111.042 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 111.064 -0.398 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -73.85 132.74 79.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.37 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -29.57 8.06 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.466 1.771 . . . . 0.0 111.03 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -70.03 -46.43 65.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.27 -22.91 57.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -64.37 -27.65 69.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.938 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -75.09 -25.92 58.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.07 -20.43 79.32 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.503 1.127 . . . . 0.0 111.042 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 tt -60.42 -22.51 63.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.771 . . . . 0.0 109.258 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.829 0 N-CA-C 110.955 -0.44 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.09 144.02 89.42 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -27.99 9.59 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.553 1.817 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -70.42 -47.06 62.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.29 -22.48 57.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.315 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -65.09 -27.2 68.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 94.2 t80 -75.16 -26.08 58.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.15 -20.73 79.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.79 -23.16 59.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 0.739 . . . . 0.0 109.352 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 111.047 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.89 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.87 143.92 30.81 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.232 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -28.12 9.37 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.423 1.749 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.32 -47.04 62.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.075 . . . . 0.0 109.355 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.23 -22.6 57.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -65.03 -27.24 68.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -75.1 -26.12 59.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.12 -20.78 79.02 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.454 1.096 . . . . 0.0 110.951 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.3 tt -57.06 -21.46 31.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 0.806 . . . . 0.0 109.26 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.918 0 N-CA-C 111.016 -0.417 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.53 132.81 37.8 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -29.61 7.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.472 1.775 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -69.93 -46.53 65.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.29 -22.68 57.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -64.71 -27.39 68.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -75.15 -25.93 58.74 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 111.063 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.17 -20.53 79.07 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 tt -60.1 -22.87 63.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 0.742 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 110.968 -0.435 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -88.25 144.05 33.6 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -27.9 9.61 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.467 1.772 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -70.43 -47.08 62.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.426 1.079 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.28 -22.63 57.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 3.5 t80 -64.96 -27.31 68.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -75.09 -26.07 59.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.2 -20.55 79.02 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 tt -57.25 -20.7 29.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.596 0.821 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 110.976 -0.432 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.86 144.14 32.6 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -27.76 9.65 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.559 1.82 . . . . 0.0 111.004 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -70.46 -47.11 62.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.3 -22.54 57.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.372 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -65.03 -27.21 68.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -75.17 -26.03 58.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.24 -20.68 78.87 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 tt -59.11 -22.98 61.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.417 0.716 . . . . 0.0 109.292 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 110.973 -0.433 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.75 144.22 36.83 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -27.67 9.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.5 1.789 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -70.64 -47.11 61.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.087 . . . . 0.0 109.283 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.19 -22.59 57.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -65.08 -27.18 68.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 110.996 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -75.18 -26.08 58.76 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.445 1.091 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.04 -20.77 79.19 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.563 1.165 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.5 tt -55.11 -21.74 14.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.949 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.913 0 N-CA-C 110.956 -0.44 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.05 132.66 39.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -29.67 8.05 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.468 1.773 . . . . 0.0 111.02 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -69.94 -46.46 65.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.32 -22.63 57.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.246 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -64.74 -27.38 68.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -75.25 -25.9 58.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.06 -20.65 79.22 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.135 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 10' ' ' LEU . 6.3 tt -56.41 -20.86 21.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.757 . . . . 0.0 109.364 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.919 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.849 ' CG ' ' HB3' ' A' ' 6' ' ' ALA . 2.4 p30 -79.03 128.7 75.46 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -29.22 8.53 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.499 1.789 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -69.92 -46.73 64.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.849 ' HB3' ' CG ' ' A' ' 3' ' ' ASP . . . -75.27 -22.38 57.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -64.99 -27.42 68.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -75.21 -25.92 58.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.098 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.11 -20.56 79.17 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.546 1.154 . . . . 0.0 111.0 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tt -55.83 -19.79 12.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 0.748 . . . . 0.0 109.318 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 110.948 -0.443 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.863 ' CG ' ' HB3' ' A' ' 6' ' ' ALA . 2.6 p30 -77.45 128.1 81.08 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -29.42 8.19 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.513 1.796 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -70.08 -46.44 64.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.221 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.863 ' HB3' ' CG ' ' A' ' 3' ' ' ASP . . . -75.26 -22.78 57.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -64.6 -27.55 69.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -75.14 -25.91 58.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.07 -20.45 79.3 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 tt -58.46 -22.63 55.33 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.44 0.73 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.466 ' CE ' ' HA ' ' A' ' 11' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.912 0 N-CA-C 110.961 -0.438 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.56 144.22 91.12 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -27.75 9.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.537 1.809 . . . . 0.0 110.982 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.72 -47.01 61.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.39 -22.32 57.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -65.14 -27.24 68.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -75.25 -25.95 58.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.16 -20.61 79.04 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.544 1.153 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 tt -59.77 -22.02 61.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 111.045 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 111.004 -0.422 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -73.9 132.76 79.8 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -29.72 7.99 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.467 1.772 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -69.89 -46.41 65.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.582 1.176 . . . . 0.0 109.33 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.32 -22.79 57.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -64.63 -27.35 68.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -75.19 -25.95 58.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.08 -20.64 79.18 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.6 tt -58.18 -21.62 48.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.415 0.715 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.968 0 N-CA-C 111.036 -0.409 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -81.7 132.43 54.79 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -29.61 8.04 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.531 1.806 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -69.86 -46.44 65.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.34 -22.84 57.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.207 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -64.57 -27.44 68.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -75.2 -25.9 58.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.08 -20.49 79.26 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 tt -56.19 -22.15 27.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 0.817 . . . . 0.0 109.3 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.947 0 N-CA-C 110.993 -0.426 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.854 ' CG ' ' HB3' ' A' ' 6' ' ' ALA . 2.4 p30 -84.69 128.78 59.63 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.38 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -29.51 8.2 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -69.86 -46.56 65.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.854 ' HB3' ' CG ' ' A' ' 3' ' ' ASP . . . -75.27 -22.72 57.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -64.66 -27.45 68.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -75.18 -25.82 58.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.07 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.24 -20.57 78.93 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.4 tt -59.75 -19.72 52.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 0.792 . . . . 0.0 109.329 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.922 0 N-CA-C 111.032 -0.411 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.94 143.87 30.65 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 109.218 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -28.09 9.56 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.423 1.749 . . . . 0.0 111.05 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -70.25 -47.07 62.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.3 -22.57 57.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -65.09 -27.14 68.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -75.11 -26.12 58.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.6 1.187 . . . . 0.0 111.068 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.09 -20.85 79.04 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 10' ' ' LEU . 7.0 tt -56.98 -20.77 25.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.163 . . . . 0.0 111.077 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.956 0 N-CA-C 111.02 -0.416 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -89.67 143.66 30.72 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.369 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -28.13 9.51 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.593 1.838 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -70.25 -47.05 63.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.28 -22.54 57.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -65.27 -27.03 68.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -75.1 -26.17 59.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 111.04 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.17 -20.86 78.88 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.512 HD23 ' O ' ' A' ' 10' ' ' LEU . 8.5 tt -57.17 -18.7 16.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.776 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.4 ttm . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.958 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.451 -0.975 0 N-CA-C 111.048 -0.404 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -80.92 143.75 54.09 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.228 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -28.18 9.51 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.526 1.803 . . . . 0.0 111.021 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -70.33 -47.05 62.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.25 -22.42 57.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -65.07 -27.35 68.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -75.13 -25.96 58.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.04 -20.75 79.19 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.458 1.099 . . . . 0.0 111.081 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.417 HD23 ' O ' ' A' ' 10' ' ' LEU . 7.1 tt -57.4 -20.19 28.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PCA . . . . . 0.567 ' HG2' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 111.397 0.147 . . . . 0.0 111.397 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 0.31 9.05 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.474 1.776 . . . . 0.0 110.964 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.95 143.74 92.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -28.01 9.55 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.487 1.782 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -69.94 -47.15 63.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.567 ' HB3' ' HG2' ' A' ' 1' ' ' PCA . . . -75.26 -22.59 57.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -65.54 -26.8 68.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -75.1 -26.33 59.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.1 -21.07 78.84 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.467 1.105 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 tt -59.37 -23.03 62.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.5 tmm? . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PCA . . . . . 0.534 ' HG2' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 119.775 -0.155 . . . . 0.0 111.411 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 0.21 9.17 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.503 1.791 . . . . 0.0 111.021 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.98 141.81 89.84 Favored Pre-proline 0 C--N 1.326 -0.413 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -29.4 8.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.428 1.752 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -69.98 -46.58 64.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.534 ' HB3' ' HG2' ' A' ' 1' ' ' PCA . . . -75.26 -22.63 57.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -64.7 -27.53 68.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -75.11 -25.96 58.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.1 -20.53 79.21 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 tt -60.82 -22.83 64.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 0.723 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 111.429 0.159 . . . . 0.0 111.429 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -5.81 17.3 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.502 1.791 . . . . 0.0 110.996 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -83.99 132.42 48.37 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 109.25 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -29.64 8.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.43 1.753 . . . . 0.0 111.014 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -69.89 -46.51 65.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.23 -22.66 57.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.367 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -64.75 -27.38 68.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -75.15 -26.08 58.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.08 -20.53 79.24 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.415 1.072 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.5 tt -58.57 -23.08 57.71 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.593 0.819 . . . . 0.0 109.341 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.555 1.16 . . . . 0.0 111.042 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PCA . . . . . 0.562 ' HG3' HD12 ' A' ' 10' ' ' LEU . . . . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 111.391 0.145 . . . . 0.0 111.391 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -21.78 15.53 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 111.064 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -73.85 132.74 79.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.37 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -29.57 8.06 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.466 1.771 . . . . 0.0 111.03 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -70.03 -46.43 65.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.27 -22.91 57.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -64.37 -27.65 69.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.938 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -75.09 -25.92 58.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.07 -20.43 79.32 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.503 1.127 . . . . 0.0 111.042 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.562 HD12 ' HG3' ' A' ' 1' ' ' PCA . 5.3 tt -60.42 -22.51 63.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.771 . . . . 0.0 109.258 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PCA . . . . . 0.427 ' C ' ' H ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.42 0 N-CA-C 111.39 0.144 . . . . 0.0 111.39 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 43.6 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 110.955 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.427 ' H ' ' C ' ' A' ' 1' ' ' PCA . 2.1 m-20 -71.09 144.02 89.42 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -27.99 9.59 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.553 1.817 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -70.42 -47.06 62.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.29 -22.48 57.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.315 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -65.09 -27.2 68.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 94.2 t80 -75.16 -26.08 58.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.15 -20.73 79.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.79 -23.16 59.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 0.739 . . . . 0.0 109.352 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 111.047 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PCA . . . . . 0.425 ' C ' ' H ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 111.393 0.146 . . . . 0.0 111.393 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 43.59 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.495 1.787 . . . . 0.0 111.006 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.425 ' H ' ' C ' ' A' ' 1' ' ' PCA . 0.5 OUTLIER -89.87 143.92 30.81 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.232 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -28.12 9.37 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.423 1.749 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.32 -47.04 62.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.075 . . . . 0.0 109.355 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.23 -22.6 57.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -65.03 -27.24 68.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -75.1 -26.12 59.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.12 -20.78 79.02 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.454 1.096 . . . . 0.0 110.951 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.3 tt -57.06 -21.46 31.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 0.806 . . . . 0.0 109.26 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PCA . . . . . 0.432 ' C ' ' H ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.401 0 CA-C-O 119.765 -0.16 . . . . 0.0 111.394 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 43.57 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.524 1.802 . . . . 0.0 111.016 -179.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.432 ' H ' ' C ' ' A' ' 1' ' ' PCA . 0.3 OUTLIER -88.53 132.81 37.8 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -29.61 7.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.472 1.775 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -69.93 -46.53 65.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.29 -22.68 57.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -64.71 -27.39 68.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -75.15 -25.93 58.74 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 111.063 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.17 -20.53 79.07 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 tt -60.1 -22.87 63.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 0.742 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PCA . . . . . 0.45 ' C ' ' H ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 111.42 0.155 . . . . 0.0 111.42 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 41.26 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.449 1.763 . . . . 0.0 110.968 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.45 ' H ' ' C ' ' A' ' 1' ' ' PCA . 43.9 m-20 -88.25 144.05 33.6 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -27.9 9.61 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.467 1.772 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -70.43 -47.08 62.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.426 1.079 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.28 -22.63 57.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 3.5 t80 -64.96 -27.31 68.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -75.09 -26.07 59.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.2 -20.55 79.02 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 tt -57.25 -20.7 29.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.596 0.821 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PCA . . . . . 0.45 ' C ' ' H ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 119.783 -0.151 . . . . 0.0 111.395 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 41.26 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.557 1.82 . . . . 0.0 110.976 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.45 ' H ' ' C ' ' A' ' 1' ' ' PCA . 0.9 OUTLIER -88.86 144.14 32.6 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -27.76 9.65 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.559 1.82 . . . . 0.0 111.004 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -70.46 -47.11 62.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.3 -22.54 57.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.372 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -65.03 -27.21 68.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -75.17 -26.03 58.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.24 -20.68 78.87 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 tt -59.11 -22.98 61.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.417 0.716 . . . . 0.0 109.292 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PCA . . . . . 0.453 ' C ' ' H ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 111.369 0.137 . . . . 0.0 111.369 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 41.22 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.781 . . . . 0.0 110.973 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.453 ' H ' ' C ' ' A' ' 1' ' ' PCA . 0.3 OUTLIER -86.75 144.22 36.83 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -27.67 9.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.5 1.789 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -70.64 -47.11 61.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.087 . . . . 0.0 109.283 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.19 -22.59 57.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -65.08 -27.18 68.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 110.996 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -75.18 -26.08 58.76 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.445 1.091 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.04 -20.77 79.19 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.563 1.165 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.5 tt -55.11 -21.74 14.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.949 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PCA . . . . . 0.454 ' C ' ' H ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.413 0 N-CA-C 111.422 0.156 . . . . 0.0 111.422 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 1' ' ' PCA . 18.1 Cg_endo -75.0 41.39 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.471 1.774 . . . . 0.0 110.956 -179.149 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.454 ' H ' ' C ' ' A' ' 1' ' ' PCA . 0.1 OUTLIER -88.05 132.66 39.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -29.67 8.05 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.468 1.773 . . . . 0.0 111.02 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -69.94 -46.46 65.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.32 -22.63 57.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.246 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -64.74 -27.38 68.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -75.25 -25.9 58.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.06 -20.65 79.22 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.135 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 10' ' ' LEU . 6.3 tt -56.41 -20.86 21.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.757 . . . . 0.0 109.364 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PCA . . . . . 0.447 ' C ' ' H ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 111.38 0.141 . . . . 0.0 111.38 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 1' ' ' PCA . 18.5 Cg_endo -74.92 41.21 0.71 Allowed 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.454 1.766 . . . . 0.0 111.021 -179.239 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.849 ' CG ' ' HB3' ' A' ' 6' ' ' ALA . 2.4 p30 -79.03 128.7 75.46 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -29.22 8.53 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.499 1.789 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -69.92 -46.73 64.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.849 ' HB3' ' CG ' ' A' ' 3' ' ' ASP . . . -75.27 -22.38 57.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -64.99 -27.42 68.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -75.21 -25.92 58.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.098 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.11 -20.56 79.17 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.546 1.154 . . . . 0.0 111.0 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tt -55.83 -19.79 12.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 0.748 . . . . 0.0 109.318 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PCA . . . . . 0.45 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.424 0 CA-C-O 119.774 -0.155 . . . . 0.0 111.396 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 1' ' ' PCA . 18.2 Cg_endo -75.03 41.35 0.73 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.53 1.805 . . . . 0.0 110.948 -179.146 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.863 ' CG ' ' HB3' ' A' ' 6' ' ' ALA . 2.6 p30 -77.45 128.1 81.08 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -29.42 8.19 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.513 1.796 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -70.08 -46.44 64.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.221 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.863 ' HB3' ' CG ' ' A' ' 3' ' ' ASP . . . -75.26 -22.78 57.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -64.6 -27.55 69.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -75.14 -25.91 58.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.07 -20.45 79.3 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 tt -58.46 -22.63 55.33 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.44 0.73 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.466 ' CE ' ' HA ' ' A' ' 11' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PCA . . . . . 1.009 ' CD ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.45 -0.429 0 N-CA-C 111.413 0.153 . . . . 0.0 111.413 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 1.009 ' HD3' ' CD ' ' A' ' 1' ' ' PCA . 18.2 Cg_endo -75.05 -14.45 21.02 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.443 1.76 . . . . 0.0 110.961 -179.203 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.56 144.22 91.12 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -27.75 9.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.537 1.809 . . . . 0.0 110.982 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.72 -47.01 61.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.39 -22.32 57.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -65.14 -27.24 68.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -75.25 -25.95 58.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.16 -20.61 79.04 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.544 1.153 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 tt -59.77 -22.02 61.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 111.045 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PCA . . . . . 1.017 ' CD ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.424 0 CA-C-O 119.761 -0.161 . . . . 0.0 111.394 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 1.017 ' HD3' ' CD ' ' A' ' 1' ' ' PCA . 18.3 Cg_endo -75.06 -22.43 14.7 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.513 1.796 . . . . 0.0 111.004 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -73.9 132.76 79.8 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -29.72 7.99 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.467 1.772 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -69.89 -46.41 65.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.582 1.176 . . . . 0.0 109.33 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.32 -22.79 57.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -64.63 -27.35 68.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -75.19 -25.95 58.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.08 -20.64 79.18 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.6 tt -58.18 -21.62 48.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.415 0.715 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PCA . . . . . 1.022 ' CD ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.45 -0.438 0 CA-C-O 119.759 -0.162 . . . . 0.0 111.376 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 1.022 ' HD3' ' CD ' ' A' ' 1' ' ' PCA . 18.2 Cg_endo -75.05 -19.2 17.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.47 1.774 . . . . 0.0 111.036 -179.177 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -81.7 132.43 54.79 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -29.61 8.04 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.531 1.806 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -69.86 -46.44 65.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.34 -22.84 57.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.207 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -64.57 -27.44 68.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -75.2 -25.9 58.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.08 -20.49 79.26 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 tt -56.19 -22.15 27.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 0.817 . . . . 0.0 109.3 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PCA . . . . . 1.021 ' CD ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.408 0 CA-C-O 119.762 -0.161 . . . . 0.0 111.381 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 1.021 ' HD3' ' CD ' ' A' ' 1' ' ' PCA . 18.3 Cg_endo -74.99 -12.88 21.55 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.507 1.793 . . . . 0.0 110.993 -179.204 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.854 ' CG ' ' HB3' ' A' ' 6' ' ' ALA . 2.4 p30 -84.69 128.78 59.63 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.38 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -29.51 8.2 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -69.86 -46.56 65.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.854 ' HB3' ' CG ' ' A' ' 3' ' ' ASP . . . -75.27 -22.72 57.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -64.66 -27.45 68.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -75.18 -25.82 58.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.07 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.24 -20.57 78.93 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.4 tt -59.75 -19.72 52.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 0.792 . . . . 0.0 109.329 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PCA . . . . . 1.015 ' CD ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 119.737 -0.173 . . . . 0.0 111.381 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 1.015 ' HD3' ' CD ' ' A' ' 1' ' ' PCA . 18.2 Cg_endo -75.01 43.53 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.505 1.792 . . . . 0.0 111.032 -179.191 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.427 ' H ' ' C ' ' A' ' 1' ' ' PCA . 0.4 OUTLIER -89.94 143.87 30.65 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 109.218 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -28.09 9.56 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.423 1.749 . . . . 0.0 111.05 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -70.25 -47.07 62.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.3 -22.57 57.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -65.09 -27.14 68.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -75.11 -26.12 58.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.6 1.187 . . . . 0.0 111.068 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.09 -20.85 79.04 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 10' ' ' LEU . 7.0 tt -56.98 -20.77 25.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.163 . . . . 0.0 111.077 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PCA . . . . . 1.014 ' CD ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.398 0 CA-C-O 119.748 -0.168 . . . . 0.0 111.36 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 1.014 ' HD3' ' CD ' ' A' ' 1' ' ' PCA . 18.2 Cg_endo -75.05 43.58 1.01 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 -179.212 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.428 ' H ' ' C ' ' A' ' 1' ' ' PCA . 8.2 m-20 -89.67 143.66 30.72 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.369 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -28.13 9.51 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.593 1.838 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -70.25 -47.05 63.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.28 -22.54 57.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -65.27 -27.03 68.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -75.1 -26.17 59.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 111.04 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.17 -20.86 78.88 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.512 HD23 ' O ' ' A' ' 10' ' ' LEU . 8.5 tt -57.17 -18.7 16.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.776 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.4 ttm . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.958 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PCA . . . . . 1.022 ' CD ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.45 -0.426 0 N-CA-C 111.415 0.154 . . . . 0.0 111.415 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 1.022 ' HD3' ' CD ' ' A' ' 1' ' ' PCA . 18.3 Cg_endo -74.98 43.54 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.469 1.773 . . . . 0.0 111.048 -179.243 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.431 ' H ' ' C ' ' A' ' 1' ' ' PCA . 57.5 m-20 -80.92 143.75 54.09 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.228 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -28.18 9.51 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.526 1.803 . . . . 0.0 111.021 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -70.33 -47.05 62.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.25 -22.42 57.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -65.07 -27.35 68.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -75.13 -25.96 58.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.04 -20.75 79.19 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.458 1.099 . . . . 0.0 111.081 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.417 HD23 ' O ' ' A' ' 10' ' ' LEU . 7.1 tt -57.4 -20.19 28.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.893 0 N-CA-C 110.964 -0.437 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.95 143.74 92.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -28.01 9.55 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.487 1.782 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -69.94 -47.15 63.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.26 -22.59 57.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -65.54 -26.8 68.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -75.1 -26.33 59.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.1 -21.07 78.84 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.467 1.105 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 tt -59.37 -23.03 62.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.5 tmm? . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.98 141.81 89.84 Favored Pre-proline 0 C--N 1.326 -0.413 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -29.4 8.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.428 1.752 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -69.98 -46.58 64.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.26 -22.63 57.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -64.7 -27.53 68.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -75.11 -25.96 58.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.1 -20.53 79.21 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 tt -60.82 -22.83 64.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 0.723 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.818 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -83.99 132.42 48.37 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 109.25 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -29.64 8.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.43 1.753 . . . . 0.0 111.014 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -69.89 -46.51 65.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.23 -22.66 57.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.367 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -64.75 -27.38 68.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -75.15 -26.08 58.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.08 -20.53 79.24 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.415 1.072 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.5 tt -58.57 -23.08 57.71 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.593 0.819 . . . . 0.0 109.341 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.555 1.16 . . . . 0.0 111.042 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 111.064 -0.398 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -73.85 132.74 79.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.37 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -29.57 8.06 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.466 1.771 . . . . 0.0 111.03 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -70.03 -46.43 65.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.27 -22.91 57.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -64.37 -27.65 69.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.938 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -75.09 -25.92 58.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.07 -20.43 79.32 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.503 1.127 . . . . 0.0 111.042 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 tt -60.42 -22.51 63.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.771 . . . . 0.0 109.258 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.829 0 N-CA-C 110.955 -0.44 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.09 144.02 89.42 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -27.99 9.59 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.553 1.817 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -70.42 -47.06 62.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.29 -22.48 57.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.315 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -65.09 -27.2 68.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 94.2 t80 -75.16 -26.08 58.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.15 -20.73 79.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.79 -23.16 59.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 0.739 . . . . 0.0 109.352 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 111.047 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.89 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.87 143.92 30.81 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.232 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -28.12 9.37 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.423 1.749 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.32 -47.04 62.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.075 . . . . 0.0 109.355 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.23 -22.6 57.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -65.03 -27.24 68.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -75.1 -26.12 59.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.12 -20.78 79.02 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.454 1.096 . . . . 0.0 110.951 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.3 tt -57.06 -21.46 31.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 0.806 . . . . 0.0 109.26 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.918 0 N-CA-C 111.016 -0.417 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.53 132.81 37.8 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -29.61 7.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.472 1.775 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -69.93 -46.53 65.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.29 -22.68 57.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -64.71 -27.39 68.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -75.15 -25.93 58.74 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 111.063 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.17 -20.53 79.07 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 tt -60.1 -22.87 63.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 0.742 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 110.968 -0.435 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -88.25 144.05 33.6 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -27.9 9.61 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.467 1.772 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -70.43 -47.08 62.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.426 1.079 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.28 -22.63 57.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 3.5 t80 -64.96 -27.31 68.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -75.09 -26.07 59.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.2 -20.55 79.02 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 tt -57.25 -20.7 29.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.596 0.821 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 110.976 -0.432 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.86 144.14 32.6 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -27.76 9.65 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.559 1.82 . . . . 0.0 111.004 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -70.46 -47.11 62.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.3 -22.54 57.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.372 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -65.03 -27.21 68.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -75.17 -26.03 58.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.24 -20.68 78.87 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 tt -59.11 -22.98 61.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.417 0.716 . . . . 0.0 109.292 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 110.973 -0.433 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.75 144.22 36.83 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -27.67 9.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.5 1.789 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -70.64 -47.11 61.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.087 . . . . 0.0 109.283 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.19 -22.59 57.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -65.08 -27.18 68.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 110.996 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -75.18 -26.08 58.76 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.445 1.091 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.04 -20.77 79.19 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.563 1.165 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.5 tt -55.11 -21.74 14.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.949 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.913 0 N-CA-C 110.956 -0.44 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.05 132.66 39.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -29.67 8.05 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.468 1.773 . . . . 0.0 111.02 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -69.94 -46.46 65.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.32 -22.63 57.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.246 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -64.74 -27.38 68.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -75.25 -25.9 58.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.06 -20.65 79.22 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.135 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 10' ' ' LEU . 6.3 tt -56.41 -20.86 21.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.757 . . . . 0.0 109.364 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.919 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.849 ' CG ' ' HB3' ' A' ' 6' ' ' ALA . 2.4 p30 -79.03 128.7 75.46 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -29.22 8.53 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.499 1.789 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -69.92 -46.73 64.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.849 ' HB3' ' CG ' ' A' ' 3' ' ' ASP . . . -75.27 -22.38 57.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -64.99 -27.42 68.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -75.21 -25.92 58.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.098 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.11 -20.56 79.17 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.546 1.154 . . . . 0.0 111.0 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tt -55.83 -19.79 12.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 0.748 . . . . 0.0 109.318 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 110.948 -0.443 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.863 ' CG ' ' HB3' ' A' ' 6' ' ' ALA . 2.6 p30 -77.45 128.1 81.08 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -29.42 8.19 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.513 1.796 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -70.08 -46.44 64.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.221 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.863 ' HB3' ' CG ' ' A' ' 3' ' ' ASP . . . -75.26 -22.78 57.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -64.6 -27.55 69.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -75.14 -25.91 58.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.07 -20.45 79.3 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 tt -58.46 -22.63 55.33 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.44 0.73 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.466 ' CE ' ' HA ' ' A' ' 11' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.912 0 N-CA-C 110.961 -0.438 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.56 144.22 91.12 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -27.75 9.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.537 1.809 . . . . 0.0 110.982 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.72 -47.01 61.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.39 -22.32 57.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -65.14 -27.24 68.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -75.25 -25.95 58.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.16 -20.61 79.04 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.544 1.153 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 tt -59.77 -22.02 61.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 111.045 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 111.004 -0.422 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -73.9 132.76 79.8 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -29.72 7.99 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.467 1.772 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -69.89 -46.41 65.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.582 1.176 . . . . 0.0 109.33 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.32 -22.79 57.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -64.63 -27.35 68.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -75.19 -25.95 58.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.08 -20.64 79.18 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.6 tt -58.18 -21.62 48.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.415 0.715 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.968 0 N-CA-C 111.036 -0.409 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -81.7 132.43 54.79 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -29.61 8.04 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.531 1.806 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -69.86 -46.44 65.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.34 -22.84 57.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.207 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -64.57 -27.44 68.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -75.2 -25.9 58.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.08 -20.49 79.26 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 tt -56.19 -22.15 27.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 0.817 . . . . 0.0 109.3 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.947 0 N-CA-C 110.993 -0.426 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.854 ' CG ' ' HB3' ' A' ' 6' ' ' ALA . 2.4 p30 -84.69 128.78 59.63 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.38 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -29.51 8.2 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -69.86 -46.56 65.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.854 ' HB3' ' CG ' ' A' ' 3' ' ' ASP . . . -75.27 -22.72 57.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -64.66 -27.45 68.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -75.18 -25.82 58.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.07 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.24 -20.57 78.93 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.4 tt -59.75 -19.72 52.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 0.792 . . . . 0.0 109.329 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.922 0 N-CA-C 111.032 -0.411 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.94 143.87 30.65 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 109.218 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -28.09 9.56 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.423 1.749 . . . . 0.0 111.05 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -70.25 -47.07 62.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.3 -22.57 57.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -65.09 -27.14 68.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -75.11 -26.12 58.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.6 1.187 . . . . 0.0 111.068 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.09 -20.85 79.04 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 10' ' ' LEU . 7.0 tt -56.98 -20.77 25.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.163 . . . . 0.0 111.077 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.956 0 N-CA-C 111.02 -0.416 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -89.67 143.66 30.72 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.369 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -28.13 9.51 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.593 1.838 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -70.25 -47.05 63.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.28 -22.54 57.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -65.27 -27.03 68.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -75.1 -26.17 59.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 111.04 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.17 -20.86 78.88 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.512 HD23 ' O ' ' A' ' 10' ' ' LEU . 8.5 tt -57.17 -18.7 16.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.776 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.4 ttm . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.958 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.451 -0.975 0 N-CA-C 111.048 -0.404 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -80.92 143.75 54.09 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.228 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -28.18 9.51 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.526 1.803 . . . . 0.0 111.021 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -70.33 -47.05 62.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.25 -22.42 57.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -65.07 -27.35 68.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -75.13 -25.96 58.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.04 -20.75 79.19 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.458 1.099 . . . . 0.0 111.081 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.417 HD23 ' O ' ' A' ' 10' ' ' LEU . 7.1 tt -57.4 -20.19 28.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . 0.567 ' HG2' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 111.397 0.147 . . . . 0.0 111.397 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 0.31 9.05 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.474 1.776 . . . . 0.0 110.964 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.95 143.74 92.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -28.01 9.55 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.487 1.782 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -69.94 -47.15 63.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.567 ' HB3' ' HG2' ' A' ' 1' ' ' PCA . . . -75.26 -22.59 57.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -65.54 -26.8 68.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -75.1 -26.33 59.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.1 -21.07 78.84 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.467 1.105 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 tt -59.37 -23.03 62.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.5 tmm? . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . 0.534 ' HG2' ' HB3' ' A' ' 6' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 119.775 -0.155 . . . . 0.0 111.411 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 0.21 9.17 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.503 1.791 . . . . 0.0 111.021 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.98 141.81 89.84 Favored Pre-proline 0 C--N 1.326 -0.413 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -29.4 8.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.428 1.752 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -69.98 -46.58 64.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.534 ' HB3' ' HG2' ' A' ' 1' ' ' PCA . . . -75.26 -22.63 57.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -64.7 -27.53 68.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -75.11 -25.96 58.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.1 -20.53 79.21 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 tt -60.82 -22.83 64.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 0.723 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 111.429 0.159 . . . . 0.0 111.429 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -5.81 17.3 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.502 1.791 . . . . 0.0 110.996 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -83.99 132.42 48.37 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 109.25 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -29.64 8.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.43 1.753 . . . . 0.0 111.014 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -69.89 -46.51 65.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.23 -22.66 57.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.367 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -64.75 -27.38 68.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -75.15 -26.08 58.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.08 -20.53 79.24 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.415 1.072 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.5 tt -58.57 -23.08 57.71 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.593 0.819 . . . . 0.0 109.341 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.555 1.16 . . . . 0.0 111.042 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . 0.562 ' HG3' HD12 ' A' ' 10' ' ' LEU . . . . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 111.391 0.145 . . . . 0.0 111.391 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -21.78 15.53 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 111.064 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -73.85 132.74 79.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.37 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -29.57 8.06 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.466 1.771 . . . . 0.0 111.03 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -70.03 -46.43 65.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.27 -22.91 57.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -64.37 -27.65 69.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.938 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -75.09 -25.92 58.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.07 -20.43 79.32 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.503 1.127 . . . . 0.0 111.042 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.562 HD12 ' HG3' ' A' ' 1' ' ' PCA . 5.3 tt -60.42 -22.51 63.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.771 . . . . 0.0 109.258 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . 0.427 ' C ' ' H ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.42 0 N-CA-C 111.39 0.144 . . . . 0.0 111.39 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 43.6 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 110.955 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.427 ' H ' ' C ' ' A' ' 1' ' ' PCA . 2.1 m-20 -71.09 144.02 89.42 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -27.99 9.59 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.553 1.817 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -70.42 -47.06 62.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.29 -22.48 57.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.315 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -65.09 -27.2 68.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 94.2 t80 -75.16 -26.08 58.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.15 -20.73 79.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.79 -23.16 59.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 0.739 . . . . 0.0 109.352 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 111.047 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . 0.425 ' C ' ' H ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 111.393 0.146 . . . . 0.0 111.393 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 43.59 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.495 1.787 . . . . 0.0 111.006 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.425 ' H ' ' C ' ' A' ' 1' ' ' PCA . 0.5 OUTLIER -89.87 143.92 30.81 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.232 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -28.12 9.37 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.423 1.749 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.32 -47.04 62.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.075 . . . . 0.0 109.355 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.23 -22.6 57.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -65.03 -27.24 68.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -75.1 -26.12 59.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.12 -20.78 79.02 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.454 1.096 . . . . 0.0 110.951 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.3 tt -57.06 -21.46 31.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 0.806 . . . . 0.0 109.26 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . 0.432 ' C ' ' H ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.401 0 CA-C-O 119.765 -0.16 . . . . 0.0 111.394 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 43.57 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.524 1.802 . . . . 0.0 111.016 -179.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.432 ' H ' ' C ' ' A' ' 1' ' ' PCA . 0.3 OUTLIER -88.53 132.81 37.8 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -29.61 7.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.472 1.775 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -69.93 -46.53 65.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.29 -22.68 57.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -64.71 -27.39 68.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -75.15 -25.93 58.74 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 111.063 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.17 -20.53 79.07 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 tt -60.1 -22.87 63.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 0.742 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . 0.45 ' C ' ' H ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 111.42 0.155 . . . . 0.0 111.42 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 41.26 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.449 1.763 . . . . 0.0 110.968 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.45 ' H ' ' C ' ' A' ' 1' ' ' PCA . 43.9 m-20 -88.25 144.05 33.6 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -27.9 9.61 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.467 1.772 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -70.43 -47.08 62.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.426 1.079 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.28 -22.63 57.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 3.5 t80 -64.96 -27.31 68.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -75.09 -26.07 59.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.2 -20.55 79.02 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 tt -57.25 -20.7 29.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.596 0.821 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . 0.45 ' C ' ' H ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 119.783 -0.151 . . . . 0.0 111.395 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 41.26 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.557 1.82 . . . . 0.0 110.976 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.45 ' H ' ' C ' ' A' ' 1' ' ' PCA . 0.9 OUTLIER -88.86 144.14 32.6 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -27.76 9.65 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.559 1.82 . . . . 0.0 111.004 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -70.46 -47.11 62.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.3 -22.54 57.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.372 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -65.03 -27.21 68.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -75.17 -26.03 58.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.24 -20.68 78.87 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 tt -59.11 -22.98 61.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.417 0.716 . . . . 0.0 109.292 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . 0.453 ' C ' ' H ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 111.369 0.137 . . . . 0.0 111.369 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 41.22 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.781 . . . . 0.0 110.973 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.453 ' H ' ' C ' ' A' ' 1' ' ' PCA . 0.3 OUTLIER -86.75 144.22 36.83 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -27.67 9.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.5 1.789 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -70.64 -47.11 61.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.087 . . . . 0.0 109.283 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.19 -22.59 57.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -65.08 -27.18 68.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 110.996 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -75.18 -26.08 58.76 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.445 1.091 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.04 -20.77 79.19 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.563 1.165 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.5 tt -55.11 -21.74 14.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.949 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . 0.454 ' C ' ' H ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.413 0 N-CA-C 111.422 0.156 . . . . 0.0 111.422 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 1' ' ' PCA . 18.1 Cg_endo -75.0 41.39 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.471 1.774 . . . . 0.0 110.956 -179.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.454 ' H ' ' C ' ' A' ' 1' ' ' PCA . 0.1 OUTLIER -88.05 132.66 39.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -29.67 8.05 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.468 1.773 . . . . 0.0 111.02 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -69.94 -46.46 65.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.32 -22.63 57.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.246 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -64.74 -27.38 68.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -75.25 -25.9 58.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.06 -20.65 79.22 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.135 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 10' ' ' LEU . 6.3 tt -56.41 -20.86 21.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.757 . . . . 0.0 109.364 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . 0.447 ' C ' ' H ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 111.38 0.141 . . . . 0.0 111.38 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 1' ' ' PCA . 18.5 Cg_endo -74.92 41.21 0.71 Allowed 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.454 1.766 . . . . 0.0 111.021 -179.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.849 ' CG ' ' HB3' ' A' ' 6' ' ' ALA . 2.4 p30 -79.03 128.7 75.46 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -29.22 8.53 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.499 1.789 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -69.92 -46.73 64.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.849 ' HB3' ' CG ' ' A' ' 3' ' ' ASP . . . -75.27 -22.38 57.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -64.99 -27.42 68.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -75.21 -25.92 58.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.098 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.11 -20.56 79.17 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.546 1.154 . . . . 0.0 111.0 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tt -55.83 -19.79 12.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 0.748 . . . . 0.0 109.318 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . 0.45 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.424 0 CA-C-O 119.774 -0.155 . . . . 0.0 111.396 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 1' ' ' PCA . 18.2 Cg_endo -75.03 41.35 0.73 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.53 1.805 . . . . 0.0 110.948 -179.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.863 ' CG ' ' HB3' ' A' ' 6' ' ' ALA . 2.6 p30 -77.45 128.1 81.08 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -29.42 8.19 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.513 1.796 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -70.08 -46.44 64.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.221 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.863 ' HB3' ' CG ' ' A' ' 3' ' ' ASP . . . -75.26 -22.78 57.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -64.6 -27.55 69.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -75.14 -25.91 58.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.07 -20.45 79.3 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 tt -58.46 -22.63 55.33 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.44 0.73 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.466 ' CE ' ' HA ' ' A' ' 11' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . 1.009 ' CD ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.45 -0.429 0 N-CA-C 111.413 0.153 . . . . 0.0 111.413 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 1.009 ' HD3' ' CD ' ' A' ' 1' ' ' PCA . 18.2 Cg_endo -75.05 -14.45 21.02 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.443 1.76 . . . . 0.0 110.961 -179.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.56 144.22 91.12 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -27.75 9.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.537 1.809 . . . . 0.0 110.982 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.72 -47.01 61.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.39 -22.32 57.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -65.14 -27.24 68.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -75.25 -25.95 58.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.16 -20.61 79.04 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.544 1.153 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 tt -59.77 -22.02 61.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 111.045 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . 1.017 ' CD ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.424 0 CA-C-O 119.761 -0.161 . . . . 0.0 111.394 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 1.017 ' HD3' ' CD ' ' A' ' 1' ' ' PCA . 18.3 Cg_endo -75.06 -22.43 14.7 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.513 1.796 . . . . 0.0 111.004 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -73.9 132.76 79.8 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -29.72 7.99 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.467 1.772 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -69.89 -46.41 65.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.582 1.176 . . . . 0.0 109.33 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.32 -22.79 57.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -64.63 -27.35 68.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -75.19 -25.95 58.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.08 -20.64 79.18 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.6 tt -58.18 -21.62 48.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.415 0.715 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . 1.022 ' CD ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.45 -0.438 0 CA-C-O 119.759 -0.162 . . . . 0.0 111.376 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 1.022 ' HD3' ' CD ' ' A' ' 1' ' ' PCA . 18.2 Cg_endo -75.05 -19.2 17.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.47 1.774 . . . . 0.0 111.036 -179.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -81.7 132.43 54.79 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -29.61 8.04 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.531 1.806 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -69.86 -46.44 65.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.34 -22.84 57.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.207 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -64.57 -27.44 68.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -75.2 -25.9 58.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.08 -20.49 79.26 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 tt -56.19 -22.15 27.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 0.817 . . . . 0.0 109.3 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . 1.021 ' CD ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.408 0 CA-C-O 119.762 -0.161 . . . . 0.0 111.381 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 1.021 ' HD3' ' CD ' ' A' ' 1' ' ' PCA . 18.3 Cg_endo -74.99 -12.88 21.55 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.507 1.793 . . . . 0.0 110.993 -179.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.854 ' CG ' ' HB3' ' A' ' 6' ' ' ALA . 2.4 p30 -84.69 128.78 59.63 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.38 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -29.51 8.2 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -69.86 -46.56 65.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.854 ' HB3' ' CG ' ' A' ' 3' ' ' ASP . . . -75.27 -22.72 57.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -64.66 -27.45 68.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -75.18 -25.82 58.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.07 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.24 -20.57 78.93 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.4 tt -59.75 -19.72 52.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 0.792 . . . . 0.0 109.329 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . 1.015 ' CD ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 119.737 -0.173 . . . . 0.0 111.381 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 1.015 ' HD3' ' CD ' ' A' ' 1' ' ' PCA . 18.2 Cg_endo -75.01 43.53 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.505 1.792 . . . . 0.0 111.032 -179.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.427 ' H ' ' C ' ' A' ' 1' ' ' PCA . 0.4 OUTLIER -89.94 143.87 30.65 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 109.218 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -28.09 9.56 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.423 1.749 . . . . 0.0 111.05 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -70.25 -47.07 62.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.3 -22.57 57.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -65.09 -27.14 68.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -75.11 -26.12 58.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.6 1.187 . . . . 0.0 111.068 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.09 -20.85 79.04 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 10' ' ' LEU . 7.0 tt -56.98 -20.77 25.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.163 . . . . 0.0 111.077 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . 1.014 ' CD ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.398 0 CA-C-O 119.748 -0.168 . . . . 0.0 111.36 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 1.014 ' HD3' ' CD ' ' A' ' 1' ' ' PCA . 18.2 Cg_endo -75.05 43.58 1.01 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 -179.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.428 ' H ' ' C ' ' A' ' 1' ' ' PCA . 8.2 m-20 -89.67 143.66 30.72 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.369 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -28.13 9.51 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.593 1.838 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -70.25 -47.05 63.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.28 -22.54 57.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -65.27 -27.03 68.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -75.1 -26.17 59.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 111.04 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.17 -20.86 78.88 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.512 HD23 ' O ' ' A' ' 10' ' ' LEU . 8.5 tt -57.17 -18.7 16.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.776 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.4 ttm . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.958 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . 1.022 ' CD ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.45 -0.426 0 N-CA-C 111.415 0.154 . . . . 0.0 111.415 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 1.022 ' HD3' ' CD ' ' A' ' 1' ' ' PCA . 18.3 Cg_endo -74.98 43.54 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.469 1.773 . . . . 0.0 111.048 -179.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.431 ' H ' ' C ' ' A' ' 1' ' ' PCA . 57.5 m-20 -80.92 143.75 54.09 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.228 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -28.18 9.51 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.526 1.803 . . . . 0.0 111.021 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -70.33 -47.05 62.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.25 -22.42 57.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -65.07 -27.35 68.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -75.13 -25.96 58.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.04 -20.75 79.19 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.458 1.099 . . . . 0.0 111.081 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.417 HD23 ' O ' ' A' ' 10' ' ' LEU . 7.1 tt -57.4 -20.19 28.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 stop_ save_