data_2bbl_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 2bbl _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' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.11 -29.97 70.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.04 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 27.3 m -114.16 -54.45 2.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.437 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 124.37 -13.26 7.88 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 111.059 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.73 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 16.0 tp -52.7 -58.99 9.82 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.73 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -74.98 -43.48 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 t30 64.73 102.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -131.86 -83.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.586 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.2 mttt -178.97 -63.97 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.586 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.5 Cg_endo -75.01 164.24 33.72 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.457 1.767 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -166.48 83.34 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.634 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 5.1 t -61.6 -52.38 69.94 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.634 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.01 163.15 35.89 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.44 1.758 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.4 t -88.41 -27.65 21.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.394 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -163.55 138.28 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.6 ptt85 -65.99 -19.63 65.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.3 m -63.46 -24.02 67.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.377 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.25 -43.23 78.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -64.85 -37.09 86.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.5 t -68.08 -41.25 84.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -101.18 -3.31 29.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.6 m -149.02 -49.31 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.425 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 122.37 -8.17 9.66 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.681 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 14.8 tp -56.93 -57.18 26.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.513 0.772 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.681 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.3 Cg_endo -74.98 -41.92 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.529 1.805 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 57.32 75.69 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -114.24 -81.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.565 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.2 mttt -179.38 -62.94 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.565 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.01 166.76 28.51 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.455 1.766 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -163.5 90.59 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.657 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 5.5 t -63.55 -52.77 57.05 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.122 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.657 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.03 159.45 41.22 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.6 t -86.53 -27.3 24.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 110.404 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -164.33 139.1 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -64.0 -21.56 66.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.1 m -62.47 -23.99 67.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 110.384 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.94 -43.24 79.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -65.0 -37.16 86.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.87 -41.19 84.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 110.3 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -82.94 -24.33 33.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 83.4 m -111.21 -51.64 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.436 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 119.33 -14.28 10.96 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.736 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 18.5 tp -54.86 -58.87 12.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.736 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.98 -40.06 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.5 1.79 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 61.48 103.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -130.12 -88.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.356 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.614 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.3 mttt -178.61 -66.08 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.614 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -74.98 150.21 37.92 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.494 1.786 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -172.06 96.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.617 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 4.1 t -60.22 -51.35 80.89 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.617 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 160.72 39.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.4 m -87.81 -28.86 21.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -157.77 140.1 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -63.81 -20.81 66.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.2 m -64.31 -21.94 66.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.362 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.87 -36.84 84.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -66.27 -40.06 89.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.4 t -67.71 -40.01 83.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -99.71 -4.62 30.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.2 m -147.9 -49.06 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.454 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.98 -8.77 9.81 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.707 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 5.9 tp -55.44 -57.55 20.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.707 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.3 Cg_endo -75.0 -44.61 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.777 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 t30 61.41 77.16 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -115.28 -82.43 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.569 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.2 mttt -179.46 -63.17 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.569 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -74.97 166.16 29.81 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -164.56 90.08 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.666 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 5.3 t -63.18 -52.77 59.55 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.666 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.94 161.0 39.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.6 t -88.86 -23.29 22.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.384 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.1 tp -162.43 142.57 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -62.7 -21.9 66.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.8 m -63.6 -22.6 66.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.06 -36.97 86.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -66.02 -40.46 91.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.1 t -67.54 -40.08 83.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.335 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.63 -22.94 40.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.5 m -115.89 -53.89 2.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.397 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 123.56 -14.41 8.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.749 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 16.5 tp -52.74 -59.28 9.16 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.547 0.792 . . . . 0.0 109.31 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.749 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -75.0 -40.57 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.503 1.791 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 t30 64.03 103.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.352 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -131.76 -89.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.644 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.3 mttt -179.08 -66.63 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.644 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.5 Cg_endo -74.93 145.95 32.35 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.536 1.808 . . . . 0.0 111.048 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -172.29 96.9 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.599 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 4.3 t -62.59 -50.49 78.15 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.599 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.0 163.11 35.99 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.778 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.5 t -95.21 -16.17 22.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.1 tp -158.49 140.84 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.4 ptt-85 -63.84 -19.82 65.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 m -64.56 -22.55 67.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 110.417 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.21 -36.86 85.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -65.63 -40.66 92.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.51 -40.34 84.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.71 -28.79 70.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.2 m -111.3 -54.17 2.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.397 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.26 -14.02 9.5 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.725 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 16.4 tp -53.71 -58.56 12.62 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.474 0.75 . . . . 0.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.725 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -75.02 -42.05 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 t30 64.51 103.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -131.08 -87.84 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.625 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.3 mttt -178.88 -65.49 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.625 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.2 Cg_endo -75.07 149.07 35.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.478 1.778 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -170.04 93.86 0.24 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.62 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 4.6 t -62.7 -51.23 73.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.62 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.5 Cg_endo -74.92 162.64 36.95 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.538 1.809 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.5 t -90.52 -23.27 20.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.388 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.3 tp -161.91 137.82 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -66.01 -18.7 65.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.3 m -64.38 -23.25 67.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.396 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.68 -39.53 80.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -70.06 -35.6 74.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.8 t -65.43 -60.6 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.51 -36.47 55.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 92.1 m -104.21 -50.82 3.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.414 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.17 -14.59 16.05 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.451 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 0.7 OUTLIER -59.72 -57.35 27.5 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.547 0.792 . . . . 0.0 109.245 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.451 ' HD3' ' CB ' ' A' ' 6' ' ' LEU . 18.3 Cg_endo -74.94 -35.8 2.99 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 63.78 115.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -134.39 -88.33 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.528 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.1 mttt -178.06 -60.71 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.528 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.2 Cg_endo -75.0 156.49 42.99 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.44 1.758 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -140.17 55.81 1.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.862 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 19.6 t -56.66 -60.08 10.37 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.862 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.07 162.11 37.49 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.453 1.765 . . . . 0.0 110.963 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.9 m -85.25 -36.4 20.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.428 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -161.36 139.76 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -62.91 -22.06 66.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 85.8 m -62.06 -25.56 67.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.394 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.32 -42.99 74.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -64.36 -37.05 86.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.9 t -68.41 -41.7 83.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.326 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.62 -28.83 70.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.1 m -112.48 -54.65 2.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 110.365 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 122.99 -13.38 8.52 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 111.055 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.729 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 16.0 tp -53.42 -58.89 10.87 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.76 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.729 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.93 -41.61 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.475 1.776 . . . . 0.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 63.37 102.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -130.61 -87.18 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.622 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.3 mttt -178.53 -65.48 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.622 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.2 Cg_endo -75.02 151.53 39.55 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -170.09 91.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.603 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 4.6 t -63.0 -50.42 76.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.603 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.98 164.07 34.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.464 1.77 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.4 t -92.02 -23.71 19.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 0.0 110.405 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -161.55 137.58 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 ptt-85 -65.91 -19.18 65.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.349 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 87.0 m -64.06 -22.78 67.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.39 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.27 -40.37 81.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -70.13 -35.65 74.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 36.6 t -63.17 -60.53 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.318 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -28.07 69.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.2 m -110.8 -50.17 2.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 118.1 -10.36 13.51 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 111.041 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.742 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 18.3 tp -60.14 -58.99 15.37 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.518 0.775 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.742 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.3 Cg_endo -74.98 -21.78 15.54 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.553 1.817 . . . . 0.0 110.958 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 8' ' ' ASN . 2.0 p-10 37.45 90.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -116.29 -84.13 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.6 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.2 mttt -177.94 -64.29 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.6 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.01 155.88 42.88 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -169.17 84.09 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.615 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 4.6 t -60.43 -51.16 81.96 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.615 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.04 163.51 35.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.9 m -88.1 -32.96 18.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.413 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.1 tp -157.78 137.12 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -64.07 -18.01 63.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.6 m -64.56 -24.91 67.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 110.431 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.16 -42.81 79.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -64.41 -37.63 88.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.8 t -68.09 -41.47 84.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -55.31 21.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.8 t -98.94 -23.8 15.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.424 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 90.83 33.32 8.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.828 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 21.0 tp -82.56 -64.4 0.25 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.783 . . . . 0.0 109.269 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.828 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -74.99 -24.36 12.93 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 60.42 91.4 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -117.7 -89.44 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.613 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.3 mttt 179.12 -64.99 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.613 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -74.94 147.11 33.73 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.481 1.779 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -171.3 90.91 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 109.357 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.648 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 4.7 t -60.46 -52.17 74.76 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.648 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.5 Cg_endo -74.92 154.21 42.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.437 1.756 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.0 t -80.53 -24.99 38.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -161.41 134.72 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -66.53 -17.3 64.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.2 m -64.74 -23.5 67.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.431 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.67 -42.98 81.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 0.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -64.96 -37.45 87.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.6 t -67.88 -41.04 84.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.69 172.02 10.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 0.746 . . . . 0.0 109.263 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.11 -29.97 70.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.04 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 27.3 m -114.16 -54.45 2.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.437 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 124.37 -13.26 7.88 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 111.059 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.73 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 16.0 tp -52.7 -58.99 9.82 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.73 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -74.98 -43.48 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 t30 64.73 102.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -131.86 -83.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.586 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.2 mttt -178.97 -63.97 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.586 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.5 Cg_endo -75.01 164.24 33.72 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.457 1.767 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -166.48 83.34 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.634 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 5.1 t -61.6 -52.38 69.94 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.634 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.01 163.15 35.89 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.44 1.758 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.4 t -88.41 -27.65 21.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.394 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -163.55 138.28 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.6 ptt85 -65.99 -19.63 65.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.3 m -63.46 -24.02 67.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.377 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.25 -43.23 78.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -64.85 -37.09 86.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.5 t -68.08 -41.25 84.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.58 172.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -101.18 -3.31 29.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.6 m -149.02 -49.31 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.425 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 122.37 -8.17 9.66 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.681 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 14.8 tp -56.93 -57.18 26.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.513 0.772 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.681 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.3 Cg_endo -74.98 -41.92 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.529 1.805 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 57.32 75.69 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -114.24 -81.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.565 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.2 mttt -179.38 -62.94 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.565 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.01 166.76 28.51 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.455 1.766 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -163.5 90.59 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.657 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 5.5 t -63.55 -52.77 57.05 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.122 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.657 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.03 159.45 41.22 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.6 t -86.53 -27.3 24.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 110.404 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -164.33 139.1 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -64.0 -21.56 66.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.1 m -62.47 -23.99 67.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 110.384 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.94 -43.24 79.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -65.0 -37.16 86.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.87 -41.19 84.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 110.3 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.52 171.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -82.94 -24.33 33.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 83.4 m -111.21 -51.64 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.436 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 119.33 -14.28 10.96 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.736 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 18.5 tp -54.86 -58.87 12.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.736 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.98 -40.06 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.5 1.79 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 61.48 103.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -130.12 -88.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.356 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.614 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.3 mttt -178.61 -66.08 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.614 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -74.98 150.21 37.92 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.494 1.786 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -172.06 96.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.617 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 4.1 t -60.22 -51.35 80.89 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.617 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 160.72 39.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.4 m -87.81 -28.86 21.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -157.77 140.1 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -63.81 -20.81 66.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.2 m -64.31 -21.94 66.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.362 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.87 -36.84 84.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -66.27 -40.06 89.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.4 t -67.71 -40.01 83.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.6 172.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.416 0.715 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -99.71 -4.62 30.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.2 m -147.9 -49.06 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.454 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.98 -8.77 9.81 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.707 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 5.9 tp -55.44 -57.55 20.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.707 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.3 Cg_endo -75.0 -44.61 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.777 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 t30 61.41 77.16 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -115.28 -82.43 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.569 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.2 mttt -179.46 -63.17 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.569 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -74.97 166.16 29.81 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -164.56 90.08 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.666 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 5.3 t -63.18 -52.77 59.55 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.666 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.94 161.0 39.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.6 t -88.86 -23.29 22.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.384 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.1 tp -162.43 142.57 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -62.7 -21.9 66.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.8 m -63.6 -22.6 66.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.06 -36.97 86.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -66.02 -40.46 91.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.1 t -67.54 -40.08 83.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.335 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.67 171.51 0.08 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 0.799 . . . . 0.0 109.341 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.63 -22.94 40.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.5 m -115.89 -53.89 2.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.397 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 123.56 -14.41 8.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.749 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 16.5 tp -52.74 -59.28 9.16 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.547 0.792 . . . . 0.0 109.31 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.749 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -75.0 -40.57 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.503 1.791 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 t30 64.03 103.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.352 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -131.76 -89.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.644 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.3 mttt -179.08 -66.63 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.644 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.5 Cg_endo -74.93 145.95 32.35 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.536 1.808 . . . . 0.0 111.048 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -172.29 96.9 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.599 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 4.3 t -62.59 -50.49 78.15 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.599 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.0 163.11 35.99 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.778 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.5 t -95.21 -16.17 22.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.1 tp -158.49 140.84 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.4 ptt-85 -63.84 -19.82 65.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 m -64.56 -22.55 67.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 110.417 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.21 -36.86 85.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -65.63 -40.66 92.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.51 -40.34 84.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.9 169.99 12.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.71 -28.79 70.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.2 m -111.3 -54.17 2.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.397 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.26 -14.02 9.5 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.725 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 16.4 tp -53.71 -58.56 12.62 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.474 0.75 . . . . 0.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.725 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -75.02 -42.05 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 t30 64.51 103.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -131.08 -87.84 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.625 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.3 mttt -178.88 -65.49 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.625 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.2 Cg_endo -75.07 149.07 35.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.478 1.778 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -170.04 93.86 0.24 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.62 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 4.6 t -62.7 -51.23 73.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.62 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.5 Cg_endo -74.92 162.64 36.95 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.538 1.809 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.5 t -90.52 -23.27 20.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.388 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.3 tp -161.91 137.82 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -66.01 -18.7 65.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.3 m -64.38 -23.25 67.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.396 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.68 -39.53 80.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -70.06 -35.6 74.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.8 t -65.43 -60.6 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.53 166.88 14.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.74 . . . . 0.0 109.364 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.51 -36.47 55.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 92.1 m -104.21 -50.82 3.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.414 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.17 -14.59 16.05 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.451 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 0.7 OUTLIER -59.72 -57.35 27.5 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.547 0.792 . . . . 0.0 109.245 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.451 ' HD3' ' CB ' ' A' ' 6' ' ' LEU . 18.3 Cg_endo -74.94 -35.8 2.99 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 63.78 115.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -134.39 -88.33 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.528 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.1 mttt -178.06 -60.71 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.528 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.2 Cg_endo -75.0 156.49 42.99 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.44 1.758 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -140.17 55.81 1.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.862 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 19.6 t -56.66 -60.08 10.37 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.862 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.07 162.11 37.49 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.453 1.765 . . . . 0.0 110.963 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.9 m -85.25 -36.4 20.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.428 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -161.36 139.76 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -62.91 -22.06 66.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 85.8 m -62.06 -25.56 67.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.394 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.32 -42.99 74.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -64.36 -37.05 86.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.9 t -68.41 -41.7 83.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.326 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.41 169.87 9.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.778 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.62 -28.83 70.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.1 m -112.48 -54.65 2.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 110.365 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 122.99 -13.38 8.52 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 111.055 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.729 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 16.0 tp -53.42 -58.89 10.87 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.76 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.729 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.93 -41.61 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.475 1.776 . . . . 0.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 63.37 102.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -130.61 -87.18 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.622 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.3 mttt -178.53 -65.48 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.622 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.2 Cg_endo -75.02 151.53 39.55 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -170.09 91.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.603 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 4.6 t -63.0 -50.42 76.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.603 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.98 164.07 34.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.464 1.77 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.4 t -92.02 -23.71 19.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 0.0 110.405 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -161.55 137.58 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 ptt-85 -65.91 -19.18 65.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.349 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 87.0 m -64.06 -22.78 67.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.39 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.27 -40.37 81.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -70.13 -35.65 74.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 36.6 t -63.17 -60.53 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.318 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.73 168.42 16.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 0.731 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -28.07 69.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.2 m -110.8 -50.17 2.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 118.1 -10.36 13.51 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 111.041 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.742 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 18.3 tp -60.14 -58.99 15.37 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.518 0.775 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.742 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.3 Cg_endo -74.98 -21.78 15.54 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.553 1.817 . . . . 0.0 110.958 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 8' ' ' ASN . 2.0 p-10 37.45 90.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -116.29 -84.13 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.6 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.2 mttt -177.94 -64.29 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.6 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.01 155.88 42.88 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -169.17 84.09 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.615 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 4.6 t -60.43 -51.16 81.96 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.615 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.04 163.51 35.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.9 m -88.1 -32.96 18.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.413 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.1 tp -157.78 137.12 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -64.07 -18.01 63.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.6 m -64.56 -24.91 67.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 110.431 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.16 -42.81 79.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -64.41 -37.63 88.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.8 t -68.09 -41.47 84.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.26 178.3 5.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -55.31 21.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.8 t -98.94 -23.8 15.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.424 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 90.83 33.32 8.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.828 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 21.0 tp -82.56 -64.4 0.25 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.783 . . . . 0.0 109.269 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.828 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -74.99 -24.36 12.93 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 60.42 91.4 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -117.7 -89.44 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.613 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.3 mttt 179.12 -64.99 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.613 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -74.94 147.11 33.73 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.481 1.779 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -171.3 90.91 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 109.357 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.648 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 4.7 t -60.46 -52.17 74.76 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.648 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.5 Cg_endo -74.92 154.21 42.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.437 1.756 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.0 t -80.53 -24.99 38.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -161.41 134.72 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -66.53 -17.3 64.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.2 m -64.74 -23.5 67.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.431 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.67 -42.98 81.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 0.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -64.96 -37.45 87.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.6 t -67.88 -41.04 84.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.11 -29.97 70.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.04 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 27.3 m -114.16 -54.45 2.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.437 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 124.37 -13.26 7.88 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 111.059 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.731 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 16.0 tp -52.7 -58.99 9.82 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.731 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -74.98 -43.48 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 t30 64.73 102.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -131.86 -83.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.586 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.2 mttt -178.97 -63.97 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.586 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.5 Cg_endo -75.01 164.24 33.72 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.457 1.767 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -166.48 83.34 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.633 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 5.1 t -61.6 -52.38 69.94 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.633 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.01 163.15 35.89 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.44 1.758 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.4 t -88.41 -27.65 21.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.394 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -163.55 138.28 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.6 ptt85 -65.99 -19.63 65.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.3 m -63.46 -24.02 67.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.377 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.25 -43.23 78.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -64.85 -37.09 86.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.5 t -68.08 -41.25 84.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -101.18 -3.31 29.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.6 m -149.02 -49.31 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.425 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 122.37 -8.17 9.66 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.682 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 14.8 tp -56.93 -57.18 26.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.513 0.772 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.682 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.3 Cg_endo -74.98 -41.92 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.529 1.805 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 57.32 75.69 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -114.24 -81.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.565 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.2 mttt -179.38 -62.94 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.565 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.01 166.76 28.51 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.455 1.766 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -163.5 90.59 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.656 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 5.5 t -63.55 -52.77 57.05 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.122 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.656 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.03 159.45 41.22 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.6 t -86.53 -27.3 24.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 110.404 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -164.33 139.1 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -64.0 -21.56 66.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.1 m -62.47 -23.99 67.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 110.384 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.94 -43.24 79.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -65.0 -37.16 86.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.87 -41.19 84.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 110.3 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -82.94 -24.33 33.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 83.4 m -111.21 -51.64 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.436 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 119.33 -14.28 10.96 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.735 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 18.5 tp -54.86 -58.87 12.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.735 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.98 -40.06 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.5 1.79 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 61.48 103.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -130.12 -88.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.356 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.615 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.3 mttt -178.61 -66.08 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.615 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -74.98 150.21 37.92 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.494 1.786 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 12' ' ' ASN . 0.7 OUTLIER -172.06 96.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.617 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 4.1 t -60.22 -51.35 80.89 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.617 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 160.72 39.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.4 m -87.81 -28.86 21.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -157.77 140.1 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -63.81 -20.81 66.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.2 m -64.31 -21.94 66.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.362 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.87 -36.84 84.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -66.27 -40.06 89.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.4 t -67.71 -40.01 83.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -99.71 -4.62 30.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.2 m -147.9 -49.06 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.454 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.98 -8.77 9.81 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.705 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 5.9 tp -55.44 -57.55 20.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.705 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.3 Cg_endo -75.0 -44.61 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.777 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 t30 61.41 77.16 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -115.28 -82.43 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.569 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.2 mttt -179.46 -63.17 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.569 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -74.97 166.16 29.81 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -164.56 90.08 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.665 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 5.3 t -63.18 -52.77 59.55 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.665 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.94 161.0 39.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.6 t -88.86 -23.29 22.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.384 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.1 tp -162.43 142.57 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -62.7 -21.9 66.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.8 m -63.6 -22.6 66.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.06 -36.97 86.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -66.02 -40.46 91.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.1 t -67.54 -40.08 83.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.335 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.63 -22.94 40.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.5 m -115.89 -53.89 2.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.397 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 123.56 -14.41 8.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.749 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 16.5 tp -52.74 -59.28 9.16 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.547 0.792 . . . . 0.0 109.31 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.749 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -75.0 -40.57 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.503 1.791 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 t30 64.03 103.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.352 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -131.76 -89.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.644 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.3 mttt -179.08 -66.63 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.644 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.5 Cg_endo -74.93 145.95 32.35 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.536 1.808 . . . . 0.0 111.048 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -172.29 96.9 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.599 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 4.3 t -62.59 -50.49 78.15 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.599 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.0 163.11 35.99 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.778 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.5 t -95.21 -16.17 22.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.1 tp -158.49 140.84 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.4 ptt-85 -63.84 -19.82 65.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 m -64.56 -22.55 67.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 110.417 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.21 -36.86 85.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -65.63 -40.66 92.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.51 -40.34 84.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.71 -28.79 70.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.2 m -111.3 -54.17 2.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.397 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.26 -14.02 9.5 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.723 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 16.4 tp -53.71 -58.56 12.62 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.474 0.75 . . . . 0.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.723 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -75.02 -42.05 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 t30 64.51 103.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -131.08 -87.84 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.624 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.3 mttt -178.88 -65.49 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.624 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.2 Cg_endo -75.07 149.07 35.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.478 1.778 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -170.04 93.86 0.24 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.62 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 4.6 t -62.7 -51.23 73.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.62 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.5 Cg_endo -74.92 162.64 36.95 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.538 1.809 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.5 t -90.52 -23.27 20.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.388 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.3 tp -161.91 137.82 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -66.01 -18.7 65.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.3 m -64.38 -23.25 67.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.396 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.68 -39.53 80.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -70.06 -35.6 74.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.8 t -65.43 -60.6 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.51 -36.47 55.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 92.1 m -104.21 -50.82 3.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.414 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.17 -14.59 16.05 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.451 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 0.7 OUTLIER -59.72 -57.35 27.5 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.547 0.792 . . . . 0.0 109.245 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.451 ' HD3' ' CB ' ' A' ' 6' ' ' LEU . 18.3 Cg_endo -74.94 -35.8 2.99 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 63.78 115.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -134.39 -88.33 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.528 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.1 mttt -178.06 -60.71 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.528 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.2 Cg_endo -75.0 156.49 42.99 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.44 1.758 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -140.17 55.81 1.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.863 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 19.6 t -56.66 -60.08 10.37 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.863 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.07 162.11 37.49 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.453 1.765 . . . . 0.0 110.963 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.9 m -85.25 -36.4 20.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.428 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -161.36 139.76 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -62.91 -22.06 66.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 85.8 m -62.06 -25.56 67.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.394 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.32 -42.99 74.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -64.36 -37.05 86.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.9 t -68.41 -41.7 83.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.326 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.62 -28.83 70.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.1 m -112.48 -54.65 2.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 110.365 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 122.99 -13.38 8.52 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 111.055 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.73 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 16.0 tp -53.42 -58.89 10.87 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.76 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.73 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.93 -41.61 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.475 1.776 . . . . 0.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 63.37 102.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -130.61 -87.18 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.622 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.3 mttt -178.53 -65.48 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.622 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.2 Cg_endo -75.02 151.53 39.55 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -170.09 91.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.602 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 4.6 t -63.0 -50.42 76.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.602 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.98 164.07 34.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.464 1.77 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.4 t -92.02 -23.71 19.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 0.0 110.405 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -161.55 137.58 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 ptt-85 -65.91 -19.18 65.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.349 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 87.0 m -64.06 -22.78 67.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.39 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.27 -40.37 81.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -70.13 -35.65 74.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 36.6 t -63.17 -60.53 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.318 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -28.07 69.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.2 m -110.8 -50.17 2.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 118.1 -10.36 13.51 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 111.041 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.742 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 18.3 tp -60.14 -58.99 15.37 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.518 0.775 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.742 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.3 Cg_endo -74.98 -21.78 15.54 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.553 1.817 . . . . 0.0 110.958 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.481 ' O ' ' ND2' ' A' ' 8' ' ' ASN . 2.0 p-10 37.45 90.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -116.29 -84.13 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.6 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.2 mttt -177.94 -64.29 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.6 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.01 155.88 42.88 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -169.17 84.09 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.613 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 4.6 t -60.43 -51.16 81.96 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.613 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.04 163.51 35.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.9 m -88.1 -32.96 18.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.413 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.1 tp -157.78 137.12 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -64.07 -18.01 63.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.6 m -64.56 -24.91 67.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 110.431 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.16 -42.81 79.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -64.41 -37.63 88.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.8 t -68.09 -41.47 84.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -55.31 21.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.8 t -98.94 -23.8 15.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.424 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 90.83 33.32 8.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.827 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 21.0 tp -82.56 -64.4 0.25 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.783 . . . . 0.0 109.269 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.827 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -74.99 -24.36 12.93 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 60.42 91.4 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -117.7 -89.44 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.613 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.3 mttt 179.12 -64.99 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.613 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -74.94 147.11 33.73 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.481 1.779 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -171.3 90.91 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 109.357 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.648 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 4.7 t -60.46 -52.17 74.76 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.648 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.5 Cg_endo -74.92 154.21 42.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.437 1.756 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.0 t -80.53 -24.99 38.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -161.41 134.72 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -66.53 -17.3 64.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.2 m -64.74 -23.5 67.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.431 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.67 -42.98 81.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 0.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -64.96 -37.45 87.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.6 t -67.88 -41.04 84.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.69 172.02 10.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 0.746 . . . . 0.0 109.263 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.11 -29.97 70.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.04 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 27.3 m -114.16 -54.45 2.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.437 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 124.37 -13.26 7.88 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 111.059 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.731 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 16.0 tp -52.7 -58.99 9.82 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.731 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -74.98 -43.48 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 t30 64.73 102.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -131.86 -83.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.586 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.2 mttt -178.97 -63.97 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.586 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.5 Cg_endo -75.01 164.24 33.72 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.457 1.767 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -166.48 83.34 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.633 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 5.1 t -61.6 -52.38 69.94 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.633 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.01 163.15 35.89 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.44 1.758 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.4 t -88.41 -27.65 21.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.394 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -163.55 138.28 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.6 ptt85 -65.99 -19.63 65.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.3 m -63.46 -24.02 67.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.377 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.25 -43.23 78.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -64.85 -37.09 86.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.5 t -68.08 -41.25 84.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.58 172.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -101.18 -3.31 29.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.6 m -149.02 -49.31 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.425 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 122.37 -8.17 9.66 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.682 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 14.8 tp -56.93 -57.18 26.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.513 0.772 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.682 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.3 Cg_endo -74.98 -41.92 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.529 1.805 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 57.32 75.69 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -114.24 -81.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.565 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.2 mttt -179.38 -62.94 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.565 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.01 166.76 28.51 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.455 1.766 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -163.5 90.59 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.656 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 5.5 t -63.55 -52.77 57.05 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.122 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.656 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.03 159.45 41.22 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.6 t -86.53 -27.3 24.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 110.404 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -164.33 139.1 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -64.0 -21.56 66.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.1 m -62.47 -23.99 67.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 110.384 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.94 -43.24 79.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -65.0 -37.16 86.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.87 -41.19 84.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 110.3 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.52 171.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -82.94 -24.33 33.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 83.4 m -111.21 -51.64 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.436 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 119.33 -14.28 10.96 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.735 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 18.5 tp -54.86 -58.87 12.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.735 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.98 -40.06 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.5 1.79 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 61.48 103.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -130.12 -88.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.356 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.615 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.3 mttt -178.61 -66.08 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.615 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -74.98 150.21 37.92 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.494 1.786 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 12' ' ' ASN . 0.7 OUTLIER -172.06 96.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.617 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 4.1 t -60.22 -51.35 80.89 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.617 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 160.72 39.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.4 m -87.81 -28.86 21.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -157.77 140.1 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -63.81 -20.81 66.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.2 m -64.31 -21.94 66.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.362 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.87 -36.84 84.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -66.27 -40.06 89.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.4 t -67.71 -40.01 83.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.6 172.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.416 0.715 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -99.71 -4.62 30.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.2 m -147.9 -49.06 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.454 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.98 -8.77 9.81 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.705 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 5.9 tp -55.44 -57.55 20.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.705 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.3 Cg_endo -75.0 -44.61 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.777 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 t30 61.41 77.16 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -115.28 -82.43 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.569 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.2 mttt -179.46 -63.17 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.569 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -74.97 166.16 29.81 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -164.56 90.08 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.665 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 5.3 t -63.18 -52.77 59.55 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.665 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.94 161.0 39.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.6 t -88.86 -23.29 22.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.384 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.1 tp -162.43 142.57 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -62.7 -21.9 66.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.8 m -63.6 -22.6 66.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.06 -36.97 86.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -66.02 -40.46 91.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.1 t -67.54 -40.08 83.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.335 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.67 171.51 0.08 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 0.799 . . . . 0.0 109.341 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.63 -22.94 40.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.5 m -115.89 -53.89 2.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.397 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 123.56 -14.41 8.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.749 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 16.5 tp -52.74 -59.28 9.16 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.547 0.792 . . . . 0.0 109.31 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.749 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -75.0 -40.57 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.503 1.791 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 t30 64.03 103.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.352 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -131.76 -89.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.644 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.3 mttt -179.08 -66.63 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.644 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.5 Cg_endo -74.93 145.95 32.35 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.536 1.808 . . . . 0.0 111.048 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -172.29 96.9 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.599 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 4.3 t -62.59 -50.49 78.15 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.599 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.0 163.11 35.99 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.778 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.5 t -95.21 -16.17 22.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.1 tp -158.49 140.84 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.4 ptt-85 -63.84 -19.82 65.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 m -64.56 -22.55 67.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 110.417 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.21 -36.86 85.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -65.63 -40.66 92.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.51 -40.34 84.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.9 169.99 12.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.71 -28.79 70.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.2 m -111.3 -54.17 2.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.397 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.26 -14.02 9.5 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.723 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 16.4 tp -53.71 -58.56 12.62 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.474 0.75 . . . . 0.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.723 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -75.02 -42.05 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 t30 64.51 103.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -131.08 -87.84 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.624 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.3 mttt -178.88 -65.49 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.624 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.2 Cg_endo -75.07 149.07 35.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.478 1.778 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -170.04 93.86 0.24 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.62 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 4.6 t -62.7 -51.23 73.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.62 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.5 Cg_endo -74.92 162.64 36.95 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.538 1.809 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.5 t -90.52 -23.27 20.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.388 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.3 tp -161.91 137.82 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -66.01 -18.7 65.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.3 m -64.38 -23.25 67.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.396 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.68 -39.53 80.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -70.06 -35.6 74.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.8 t -65.43 -60.6 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.53 166.88 14.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.74 . . . . 0.0 109.364 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.51 -36.47 55.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 92.1 m -104.21 -50.82 3.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.414 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.17 -14.59 16.05 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.451 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 0.7 OUTLIER -59.72 -57.35 27.5 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.547 0.792 . . . . 0.0 109.245 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.451 ' HD3' ' CB ' ' A' ' 6' ' ' LEU . 18.3 Cg_endo -74.94 -35.8 2.99 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 63.78 115.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -134.39 -88.33 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.528 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.1 mttt -178.06 -60.71 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.528 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.2 Cg_endo -75.0 156.49 42.99 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.44 1.758 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -140.17 55.81 1.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.863 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 19.6 t -56.66 -60.08 10.37 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.863 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.07 162.11 37.49 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.453 1.765 . . . . 0.0 110.963 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.9 m -85.25 -36.4 20.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.428 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -161.36 139.76 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -62.91 -22.06 66.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 85.8 m -62.06 -25.56 67.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.394 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.32 -42.99 74.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -64.36 -37.05 86.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.9 t -68.41 -41.7 83.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.326 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.41 169.87 9.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.778 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.62 -28.83 70.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.1 m -112.48 -54.65 2.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 110.365 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 122.99 -13.38 8.52 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 111.055 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.73 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 16.0 tp -53.42 -58.89 10.87 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.76 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.73 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.93 -41.61 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.475 1.776 . . . . 0.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 63.37 102.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -130.61 -87.18 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.622 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.3 mttt -178.53 -65.48 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.622 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.2 Cg_endo -75.02 151.53 39.55 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -170.09 91.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.602 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 4.6 t -63.0 -50.42 76.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.602 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.98 164.07 34.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.464 1.77 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.4 t -92.02 -23.71 19.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 0.0 110.405 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -161.55 137.58 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 ptt-85 -65.91 -19.18 65.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.349 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 87.0 m -64.06 -22.78 67.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.39 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.27 -40.37 81.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -70.13 -35.65 74.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 36.6 t -63.17 -60.53 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.318 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.73 168.42 16.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 0.731 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -28.07 69.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.2 m -110.8 -50.17 2.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 118.1 -10.36 13.51 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 111.041 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.742 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 18.3 tp -60.14 -58.99 15.37 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.518 0.775 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.742 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.3 Cg_endo -74.98 -21.78 15.54 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.553 1.817 . . . . 0.0 110.958 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.481 ' O ' ' ND2' ' A' ' 8' ' ' ASN . 2.0 p-10 37.45 90.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -116.29 -84.13 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.6 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.2 mttt -177.94 -64.29 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.6 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.01 155.88 42.88 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -169.17 84.09 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.613 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 4.6 t -60.43 -51.16 81.96 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.613 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.04 163.51 35.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.9 m -88.1 -32.96 18.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.413 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.1 tp -157.78 137.12 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -64.07 -18.01 63.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.6 m -64.56 -24.91 67.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 110.431 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.16 -42.81 79.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -64.41 -37.63 88.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.8 t -68.09 -41.47 84.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.26 178.3 5.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -55.31 21.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.8 t -98.94 -23.8 15.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.424 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 90.83 33.32 8.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.827 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 21.0 tp -82.56 -64.4 0.25 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.783 . . . . 0.0 109.269 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.827 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -74.99 -24.36 12.93 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 60.42 91.4 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -117.7 -89.44 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.613 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.3 mttt 179.12 -64.99 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.613 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -74.94 147.11 33.73 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.481 1.779 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -171.3 90.91 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 109.357 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.648 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 4.7 t -60.46 -52.17 74.76 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.648 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.5 Cg_endo -74.92 154.21 42.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.437 1.756 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.0 t -80.53 -24.99 38.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -161.41 134.72 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -66.53 -17.3 64.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.2 m -64.74 -23.5 67.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.431 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.67 -42.98 81.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 0.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -64.96 -37.45 87.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.6 t -67.88 -41.04 84.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.11 -29.97 70.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.04 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 27.3 m -114.16 -54.45 2.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.437 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 124.37 -13.26 7.88 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 111.059 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.731 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 16.0 tp -52.7 -58.99 9.82 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.731 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -74.98 -43.48 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 t30 64.73 102.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -131.86 -83.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.586 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.2 mttt -178.97 -63.97 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.586 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.5 Cg_endo -75.01 164.24 33.72 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.457 1.767 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -166.48 83.34 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.633 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 5.1 t -61.6 -52.38 69.94 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.633 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.01 163.15 35.89 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.44 1.758 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.4 t -88.41 -27.65 21.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.394 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -163.55 138.28 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.6 ptt85 -65.99 -19.63 65.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.3 m -63.46 -24.02 67.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.377 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.25 -43.23 78.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -64.85 -37.09 86.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.5 t -68.08 -41.25 84.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -101.18 -3.31 29.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.6 m -149.02 -49.31 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.425 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 122.37 -8.17 9.66 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.682 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 14.8 tp -56.93 -57.18 26.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.513 0.772 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.682 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.3 Cg_endo -74.98 -41.92 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.529 1.805 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 57.32 75.69 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -114.24 -81.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.565 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.2 mttt -179.38 -62.94 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.565 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.01 166.76 28.51 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.455 1.766 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -163.5 90.59 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.656 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 5.5 t -63.55 -52.77 57.05 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.122 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.656 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.03 159.45 41.22 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.6 t -86.53 -27.3 24.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 110.404 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -164.33 139.1 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -64.0 -21.56 66.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.1 m -62.47 -23.99 67.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 110.384 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.94 -43.24 79.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -65.0 -37.16 86.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.87 -41.19 84.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 110.3 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -82.94 -24.33 33.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 83.4 m -111.21 -51.64 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.436 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 119.33 -14.28 10.96 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.735 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 18.5 tp -54.86 -58.87 12.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.735 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.98 -40.06 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.5 1.79 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 61.48 103.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -130.12 -88.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.356 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.615 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.3 mttt -178.61 -66.08 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.615 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -74.98 150.21 37.92 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.494 1.786 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -172.06 96.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.617 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 4.1 t -60.22 -51.35 80.89 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.617 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 160.72 39.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.4 m -87.81 -28.86 21.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -157.77 140.1 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -63.81 -20.81 66.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.2 m -64.31 -21.94 66.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.362 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.87 -36.84 84.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -66.27 -40.06 89.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.4 t -67.71 -40.01 83.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -99.71 -4.62 30.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.2 m -147.9 -49.06 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.454 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.98 -8.77 9.81 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.705 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 5.9 tp -55.44 -57.55 20.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.705 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.3 Cg_endo -75.0 -44.61 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.777 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 t30 61.41 77.16 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -115.28 -82.43 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.569 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.2 mttt -179.46 -63.17 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.569 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -74.97 166.16 29.81 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -164.56 90.08 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.665 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 5.3 t -63.18 -52.77 59.55 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.665 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.94 161.0 39.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.6 t -88.86 -23.29 22.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.384 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.1 tp -162.43 142.57 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -62.7 -21.9 66.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.8 m -63.6 -22.6 66.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.06 -36.97 86.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -66.02 -40.46 91.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.1 t -67.54 -40.08 83.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.335 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.63 -22.94 40.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.5 m -115.89 -53.89 2.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.397 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 123.56 -14.41 8.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.749 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 16.5 tp -52.74 -59.28 9.16 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.547 0.792 . . . . 0.0 109.31 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.749 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -75.0 -40.57 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.503 1.791 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 t30 64.03 103.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.352 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -131.76 -89.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.644 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.3 mttt -179.08 -66.63 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.644 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.5 Cg_endo -74.93 145.95 32.35 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.536 1.808 . . . . 0.0 111.048 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -172.29 96.9 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.599 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 4.3 t -62.59 -50.49 78.15 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.599 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.0 163.11 35.99 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.778 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.5 t -95.21 -16.17 22.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.1 tp -158.49 140.84 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.4 ptt-85 -63.84 -19.82 65.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 m -64.56 -22.55 67.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 110.417 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.21 -36.86 85.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -65.63 -40.66 92.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.51 -40.34 84.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.71 -28.79 70.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.2 m -111.3 -54.17 2.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.397 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.26 -14.02 9.5 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.723 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 16.4 tp -53.71 -58.56 12.62 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.474 0.75 . . . . 0.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.723 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -75.02 -42.05 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 t30 64.51 103.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -131.08 -87.84 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.624 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.3 mttt -178.88 -65.49 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.624 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.2 Cg_endo -75.07 149.07 35.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.478 1.778 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -170.04 93.86 0.24 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.62 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 4.6 t -62.7 -51.23 73.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.62 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.5 Cg_endo -74.92 162.64 36.95 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.538 1.809 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.5 t -90.52 -23.27 20.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.388 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.3 tp -161.91 137.82 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -66.01 -18.7 65.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.3 m -64.38 -23.25 67.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.396 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.68 -39.53 80.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -70.06 -35.6 74.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.8 t -65.43 -60.6 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.51 -36.47 55.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 92.1 m -104.21 -50.82 3.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.414 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.17 -14.59 16.05 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.451 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 0.7 OUTLIER -59.72 -57.35 27.5 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.547 0.792 . . . . 0.0 109.245 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.451 ' HD3' ' CB ' ' A' ' 6' ' ' LEU . 18.3 Cg_endo -74.94 -35.8 2.99 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 63.78 115.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -134.39 -88.33 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.528 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.1 mttt -178.06 -60.71 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.528 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.2 Cg_endo -75.0 156.49 42.99 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.44 1.758 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -140.17 55.81 1.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.863 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 19.6 t -56.66 -60.08 10.37 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.863 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.07 162.11 37.49 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.453 1.765 . . . . 0.0 110.963 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.9 m -85.25 -36.4 20.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.428 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -161.36 139.76 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -62.91 -22.06 66.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 85.8 m -62.06 -25.56 67.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.394 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.32 -42.99 74.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -64.36 -37.05 86.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.9 t -68.41 -41.7 83.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.326 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.62 -28.83 70.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.1 m -112.48 -54.65 2.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 110.365 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 122.99 -13.38 8.52 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 111.055 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.73 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 16.0 tp -53.42 -58.89 10.87 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.76 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.73 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.93 -41.61 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.475 1.776 . . . . 0.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 63.37 102.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -130.61 -87.18 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.622 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.3 mttt -178.53 -65.48 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.622 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.2 Cg_endo -75.02 151.53 39.55 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -170.09 91.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.602 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 4.6 t -63.0 -50.42 76.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.602 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.98 164.07 34.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.464 1.77 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.4 t -92.02 -23.71 19.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 0.0 110.405 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -161.55 137.58 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 ptt-85 -65.91 -19.18 65.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.349 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 87.0 m -64.06 -22.78 67.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.39 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.27 -40.37 81.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -70.13 -35.65 74.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 36.6 t -63.17 -60.53 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.318 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -28.07 69.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.2 m -110.8 -50.17 2.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 118.1 -10.36 13.51 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 111.041 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.742 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 18.3 tp -60.14 -58.99 15.37 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.518 0.775 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.742 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.3 Cg_endo -74.98 -21.78 15.54 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.553 1.817 . . . . 0.0 110.958 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.481 ' O ' ' ND2' ' A' ' 8' ' ' ASN . 2.0 p-10 37.45 90.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -116.29 -84.13 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.6 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.2 mttt -177.94 -64.29 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.6 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.01 155.88 42.88 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -169.17 84.09 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.613 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 4.6 t -60.43 -51.16 81.96 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.613 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.04 163.51 35.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.9 m -88.1 -32.96 18.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.413 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.1 tp -157.78 137.12 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -64.07 -18.01 63.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.6 m -64.56 -24.91 67.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 110.431 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.16 -42.81 79.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -64.41 -37.63 88.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.8 t -68.09 -41.47 84.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -55.31 21.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.8 t -98.94 -23.8 15.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.424 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 90.83 33.32 8.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.827 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 21.0 tp -82.56 -64.4 0.25 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.783 . . . . 0.0 109.269 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.827 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -74.99 -24.36 12.93 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 60.42 91.4 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -117.7 -89.44 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.613 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.3 mttt 179.12 -64.99 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.613 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -74.94 147.11 33.73 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.481 1.779 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -171.3 90.91 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 109.357 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.648 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 4.7 t -60.46 -52.17 74.76 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.648 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.5 Cg_endo -74.92 154.21 42.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.437 1.756 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.0 t -80.53 -24.99 38.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -161.41 134.72 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -66.53 -17.3 64.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.2 m -64.74 -23.5 67.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.431 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.67 -42.98 81.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 0.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -64.96 -37.45 87.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.6 t -67.88 -41.04 84.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.69 172.02 10.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 0.746 . . . . 0.0 109.263 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.11 -29.97 70.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.04 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 27.3 m -114.16 -54.45 2.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.437 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 124.37 -13.26 7.88 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 111.059 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.731 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 16.0 tp -52.7 -58.99 9.82 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.731 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -74.98 -43.48 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 t30 64.73 102.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -131.86 -83.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.586 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.2 mttt -178.97 -63.97 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.586 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.5 Cg_endo -75.01 164.24 33.72 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.457 1.767 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -166.48 83.34 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.633 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 5.1 t -61.6 -52.38 69.94 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.633 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.01 163.15 35.89 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.44 1.758 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.4 t -88.41 -27.65 21.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.394 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -163.55 138.28 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.6 ptt85 -65.99 -19.63 65.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.3 m -63.46 -24.02 67.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.377 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.25 -43.23 78.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -64.85 -37.09 86.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.5 t -68.08 -41.25 84.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.58 172.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -101.18 -3.31 29.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.6 m -149.02 -49.31 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.425 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 122.37 -8.17 9.66 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.682 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 14.8 tp -56.93 -57.18 26.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.513 0.772 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.682 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.3 Cg_endo -74.98 -41.92 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.529 1.805 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 57.32 75.69 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -114.24 -81.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.565 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.2 mttt -179.38 -62.94 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.565 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.01 166.76 28.51 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.455 1.766 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -163.5 90.59 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.656 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 5.5 t -63.55 -52.77 57.05 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.122 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.656 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.03 159.45 41.22 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.6 t -86.53 -27.3 24.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 110.404 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -164.33 139.1 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -64.0 -21.56 66.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.1 m -62.47 -23.99 67.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 110.384 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.94 -43.24 79.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -65.0 -37.16 86.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.87 -41.19 84.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 110.3 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.52 171.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -82.94 -24.33 33.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 83.4 m -111.21 -51.64 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.436 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 119.33 -14.28 10.96 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.735 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 18.5 tp -54.86 -58.87 12.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.735 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.98 -40.06 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.5 1.79 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 61.48 103.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -130.12 -88.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.356 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.615 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.3 mttt -178.61 -66.08 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.615 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -74.98 150.21 37.92 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.494 1.786 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -172.06 96.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.617 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 4.1 t -60.22 -51.35 80.89 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.617 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 160.72 39.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.4 m -87.81 -28.86 21.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -157.77 140.1 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -63.81 -20.81 66.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.2 m -64.31 -21.94 66.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.362 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.87 -36.84 84.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -66.27 -40.06 89.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.4 t -67.71 -40.01 83.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.6 172.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.416 0.715 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -99.71 -4.62 30.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.2 m -147.9 -49.06 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.454 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.98 -8.77 9.81 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.705 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 5.9 tp -55.44 -57.55 20.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.705 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.3 Cg_endo -75.0 -44.61 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.777 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 t30 61.41 77.16 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -115.28 -82.43 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.569 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.2 mttt -179.46 -63.17 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.569 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -74.97 166.16 29.81 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -164.56 90.08 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.665 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 5.3 t -63.18 -52.77 59.55 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.665 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.94 161.0 39.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.6 t -88.86 -23.29 22.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.384 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.1 tp -162.43 142.57 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -62.7 -21.9 66.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.8 m -63.6 -22.6 66.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.06 -36.97 86.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -66.02 -40.46 91.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.1 t -67.54 -40.08 83.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.335 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.67 171.51 0.08 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 0.799 . . . . 0.0 109.341 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.63 -22.94 40.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.5 m -115.89 -53.89 2.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.397 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 123.56 -14.41 8.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.749 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 16.5 tp -52.74 -59.28 9.16 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.547 0.792 . . . . 0.0 109.31 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.749 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -75.0 -40.57 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.503 1.791 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 t30 64.03 103.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.352 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -131.76 -89.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.644 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.3 mttt -179.08 -66.63 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.644 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.5 Cg_endo -74.93 145.95 32.35 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.536 1.808 . . . . 0.0 111.048 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -172.29 96.9 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.599 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 4.3 t -62.59 -50.49 78.15 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.599 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.0 163.11 35.99 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.778 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.5 t -95.21 -16.17 22.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.1 tp -158.49 140.84 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.4 ptt-85 -63.84 -19.82 65.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 m -64.56 -22.55 67.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 110.417 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.21 -36.86 85.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -65.63 -40.66 92.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.51 -40.34 84.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.9 169.99 12.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.71 -28.79 70.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.2 m -111.3 -54.17 2.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.397 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.26 -14.02 9.5 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.723 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 16.4 tp -53.71 -58.56 12.62 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.474 0.75 . . . . 0.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.723 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -75.02 -42.05 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 t30 64.51 103.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -131.08 -87.84 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.624 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.3 mttt -178.88 -65.49 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.624 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.2 Cg_endo -75.07 149.07 35.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.478 1.778 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -170.04 93.86 0.24 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.62 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 4.6 t -62.7 -51.23 73.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.62 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.5 Cg_endo -74.92 162.64 36.95 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.538 1.809 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.5 t -90.52 -23.27 20.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.388 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.3 tp -161.91 137.82 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -66.01 -18.7 65.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.3 m -64.38 -23.25 67.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.396 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.68 -39.53 80.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -70.06 -35.6 74.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.8 t -65.43 -60.6 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.53 166.88 14.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.74 . . . . 0.0 109.364 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.51 -36.47 55.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 92.1 m -104.21 -50.82 3.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.414 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.17 -14.59 16.05 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.451 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 0.7 OUTLIER -59.72 -57.35 27.5 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.547 0.792 . . . . 0.0 109.245 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.451 ' HD3' ' CB ' ' A' ' 6' ' ' LEU . 18.3 Cg_endo -74.94 -35.8 2.99 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 63.78 115.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -134.39 -88.33 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.528 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.1 mttt -178.06 -60.71 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.528 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.2 Cg_endo -75.0 156.49 42.99 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.44 1.758 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -140.17 55.81 1.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.863 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 19.6 t -56.66 -60.08 10.37 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.863 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.07 162.11 37.49 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.453 1.765 . . . . 0.0 110.963 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.9 m -85.25 -36.4 20.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.428 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -161.36 139.76 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -62.91 -22.06 66.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 85.8 m -62.06 -25.56 67.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.394 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.32 -42.99 74.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -64.36 -37.05 86.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.9 t -68.41 -41.7 83.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.326 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.41 169.87 9.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.778 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.62 -28.83 70.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.1 m -112.48 -54.65 2.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 110.365 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 122.99 -13.38 8.52 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 111.055 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.73 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 16.0 tp -53.42 -58.89 10.87 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.76 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.73 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.4 Cg_endo -74.93 -41.61 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.475 1.776 . . . . 0.0 111.02 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 63.37 102.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -130.61 -87.18 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.622 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.3 mttt -178.53 -65.48 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.622 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.2 Cg_endo -75.02 151.53 39.55 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -170.09 91.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.602 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 4.6 t -63.0 -50.42 76.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.602 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.98 164.07 34.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.464 1.77 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.4 t -92.02 -23.71 19.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 0.0 110.405 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -161.55 137.58 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 ptt-85 -65.91 -19.18 65.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.349 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 87.0 m -64.06 -22.78 67.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.39 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.27 -40.37 81.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -70.13 -35.65 74.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 36.6 t -63.17 -60.53 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.318 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.73 168.42 16.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 0.731 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -28.07 69.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.2 m -110.8 -50.17 2.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 118.1 -10.36 13.51 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 111.041 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.742 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 18.3 tp -60.14 -58.99 15.37 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.518 0.775 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.742 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.3 Cg_endo -74.98 -21.78 15.54 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.553 1.817 . . . . 0.0 110.958 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.481 ' O ' ' ND2' ' A' ' 8' ' ' ASN . 2.0 p-10 37.45 90.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -116.29 -84.13 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.6 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.2 mttt -177.94 -64.29 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.6 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.01 155.88 42.88 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -169.17 84.09 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.613 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 4.6 t -60.43 -51.16 81.96 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.613 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.04 163.51 35.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.9 m -88.1 -32.96 18.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.413 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.1 tp -157.78 137.12 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -64.07 -18.01 63.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.6 m -64.56 -24.91 67.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 110.431 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.16 -42.81 79.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -64.41 -37.63 88.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.8 t -68.09 -41.47 84.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.26 178.3 5.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -55.31 21.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.8 t -98.94 -23.8 15.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.424 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 90.83 33.32 8.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.827 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 21.0 tp -82.56 -64.4 0.25 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.783 . . . . 0.0 109.269 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.827 ' HD3' ' HB3' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -74.99 -24.36 12.93 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 60.42 91.4 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -117.7 -89.44 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.613 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 14.3 mttt 179.12 -64.99 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.613 ' HD3' ' CB ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -74.94 147.11 33.73 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.481 1.779 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -171.3 90.91 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 109.357 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.648 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 4.7 t -60.46 -52.17 74.76 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.648 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 18.5 Cg_endo -74.92 154.21 42.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.437 1.756 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.0 t -80.53 -24.99 38.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -161.41 134.72 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -66.53 -17.3 64.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.2 m -64.74 -23.5 67.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.431 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.67 -42.98 81.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 0.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -64.96 -37.45 87.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.6 t -67.88 -41.04 84.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.969 . . . . . . . . 0 0 . 1 stop_ save_