data_1hn3_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 1hn3 _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 7' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.817 0.341 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -68.08 -36.22 79.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.026 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.5 mt -66.03 -34.9 79.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.072 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.89 -40.59 85.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.34 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 m -64.55 -49.11 72.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.506 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.4 m -64.08 -38.97 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.437 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 ttt-85 -59.58 -34.1 72.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.129 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.4 mt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.035 179.875 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.3 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.858 0.361 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -66.66 -40.09 88.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.695 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.04 -38.14 85.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.608 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -59.92 -48.13 88.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.808 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -70.25 -38.28 75.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.824 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -66.95 -46.15 75.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.752 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 52.0 t -68.58 -35.89 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.975 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.831 0.348 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -62.41 -32.93 73.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 mt -63.36 -34.81 78.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.94 -37.19 71.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.31 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 m -66.11 -49.05 68.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.283 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.4 m -68.07 -38.36 79.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.505 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -34.01 72.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.11 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.2 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.982 179.809 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.9 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.829 0.347 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -62.39 -39.8 94.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -60.95 -37.01 80.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.571 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 32.5 t -59.94 -49.93 82.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.707 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -70.25 -35.47 73.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.811 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -68.23 -46.29 70.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.828 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.5 t -69.03 -35.89 71.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.867 0.365 . . . . 0.0 110.764 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -32.74 74.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.824 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.402 ' O ' HG23 ' A' ' 12' ' ' VAL . 2.6 mt -57.73 -34.56 69.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.024 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.8 t -60.58 -41.83 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.442 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.0 m -66.19 -49.45 67.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.583 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 9' ' ' LEU . 2.7 m -68.19 -36.98 77.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.48 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -59.64 -36.05 75.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.01 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.3 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.945 179.782 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.2 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.831 0.348 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -65.44 -35.99 82.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.708 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.03 -36.44 79.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.727 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.83 -49.86 82.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.805 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -36.89 74.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.859 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.87 -46.26 75.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.844 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.7 t -66.06 -35.92 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.86 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.812 0.339 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.2 -37.6 81.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.994 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 mt -66.04 -35.01 79.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.187 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.15 -40.59 74.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.454 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.1 m -65.55 -49.16 69.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.624 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 m -66.74 -38.7 82.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.722 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -34.54 72.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.205 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.01 179.925 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.842 0.353 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.87 -37.87 88.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.97 -37.27 81.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.767 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.87 -47.71 90.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -70.14 -39.32 75.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.818 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.78 -46.19 76.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.762 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -69.07 -35.72 70.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.983 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.82 0.343 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -61.78 -44.64 96.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 mt -58.28 -34.73 70.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.9 t -66.13 -43.34 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.414 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.08 -49.16 68.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 111.423 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 m -67.28 -36.62 77.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.567 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.6 -39.01 82.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.153 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.7 mm . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.958 179.881 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.805 0.336 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -62.36 -41.76 98.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.98 -37.27 81.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.451 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.86 -49.99 81.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.74 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -70.31 -36.62 74.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.801 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.86 -46.21 75.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.863 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.81 -35.87 75.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.967 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.5 mtt85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.802 0.334 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.0 -36.16 76.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.815 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 mt -66.04 -34.79 78.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.6 t -60.81 -33.83 56.82 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.353 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.8 m -61.72 -49.25 77.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.52 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.1 m -68.12 -38.15 79.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.482 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -59.55 -34.0 72.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.119 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.9 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.972 179.859 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.2 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.853 0.358 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.9 -39.66 90.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.751 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.0 -38.02 84.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.611 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.6 t -60.37 -49.27 84.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.761 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -70.36 -38.52 74.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.902 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -65.72 -46.21 79.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.9 t -69.05 -36.44 73.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.998 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.979 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.74 0.305 . . . . 0.0 111.286 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.425 ' CD1' ' N ' ' A' ' 9' ' ' LEU . 15.5 p90 -58.86 -32.87 69.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.146 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.425 ' N ' ' CD1' ' A' ' 8' ' ' PHE . 1.4 mt -60.14 -34.94 74.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.018 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.0 t -63.18 -40.96 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.587 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -49.06 69.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.324 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.4 m -62.98 -39.89 86.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.534 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -34.24 72.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.071 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.2 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.079 179.892 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.4 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.86 0.362 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.45 -42.17 73.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.042 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.85 -38.84 86.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.599 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.99 -48.4 87.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.726 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.7 mttp -70.22 -39.36 75.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.867 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -65.81 -46.08 79.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.93 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.6 t -68.12 -35.83 73.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.959 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.835 0.35 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -59.9 -39.87 86.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.406 ' O ' HG21 ' A' ' 12' ' ' VAL . 9.0 mt -60.49 -34.8 74.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.4 t -61.82 -39.81 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.401 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -49.27 67.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.402 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.406 HG21 ' O ' ' A' ' 9' ' ' LEU . 3.1 m -68.11 -36.95 77.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.511 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -59.55 -33.88 71.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.173 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.8 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.879 179.923 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.5 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.903 0.383 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.76 -35.84 81.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.779 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.86 -35.8 77.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.788 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.88 -49.84 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.018 0.437 . . . . 0.0 110.805 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -70.28 -36.13 74.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.791 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.7 -46.25 72.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.796 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.4 t -69.02 -35.92 71.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.852 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.774 0.321 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -68.16 -40.9 82.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.17 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 mt -66.03 -41.37 91.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.359 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.91 -40.65 73.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.36 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.8 m -63.9 -47.79 79.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -37.24 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.014 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -40.58 95.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.0 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.103 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.6 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.893 0.378 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.482 ' CE2' ' CE1' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -54.95 -40.03 69.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.053 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.91 -39.37 89.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.628 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -59.87 -48.38 87.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.636 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.28 -37.57 74.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.779 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.482 ' CE1' ' CE2' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -66.92 -46.23 75.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.781 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.6 t -68.93 -35.86 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.933 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.7 mtp85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.967 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.854 0.359 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -68.03 -37.04 80.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.3 mt -66.01 -34.9 79.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.106 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.67 -40.23 85.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.364 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.438 ' O ' HG13 ' A' ' 14' ' ' ILE . 5.0 m -65.43 -47.54 75.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.407 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.7 m -68.45 -39.93 81.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.682 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -63.45 -42.67 98.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.839 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 11' ' ' THR . 1.8 pp . . . . . 0 N--CA 1.449 -0.499 0 CA-C-O 120.775 0.322 . . . . 0.0 111.297 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.7 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.793 0.33 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.83 -38.99 92.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mp -60.9 -36.49 79.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.659 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -59.98 -50.09 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.79 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -36.24 74.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.785 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.24 -46.26 74.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.827 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.6 t -67.11 -35.93 75.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.941 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.793 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.795 0.331 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.23 -33.0 72.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.758 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.457 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.8 mt -65.63 -34.64 78.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.137 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.5 t -67.15 -38.73 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.395 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.9 m -66.1 -49.3 68.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.54 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 9' ' ' LEU . 0.8 OUTLIER -66.43 -36.64 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.557 -179.696 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.408 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.63 -34.81 73.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.034 -179.765 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.1 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.917 0.389 . . . . 0.0 110.988 179.933 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.92 0.391 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -40.19 93.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.732 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.66 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.4 t -59.93 -46.67 93.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.647 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -70.25 -41.31 73.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.778 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -46.21 83.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.804 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.3 t -66.91 -35.97 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.018 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 179.951 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.775 0.321 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -58.95 -39.79 82.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.675 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.424 ' O ' HG21 ' A' ' 12' ' ' VAL . 1.8 mt -66.1 -34.49 78.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.783 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.1 t -65.06 -40.72 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.514 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -49.59 67.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.32 . . . . 0.0 111.338 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.424 HG21 ' O ' ' A' ' 9' ' ' LEU . 1.1 m -68.31 -36.85 76.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.35 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.4 ttp85 -59.81 -36.85 77.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.0 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.971 179.922 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.1 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.797 0.332 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -59.92 -44.04 94.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.93 -37.36 82.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.468 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.1 t -59.96 -48.21 88.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.685 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -37.77 74.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.742 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -46.17 75.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.799 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.7 t -66.04 -35.85 76.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.788 179.885 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.795 0.331 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -45.06 87.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.003 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.412 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 1.2 mt -57.95 -34.67 70.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.068 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.412 ' O ' HG12 ' A' ' 14' ' ' ILE . 47.9 t -63.95 -46.54 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.694 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.07 -49.32 68.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.802 0.334 . . . . 0.0 111.826 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.412 ' CG2' ' HA ' ' A' ' 9' ' ' LEU . 1.1 m -63.18 -36.51 76.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.733 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -33.93 71.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.242 -179.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 10' ' ' VAL . 34.1 mm . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.925 0.393 . . . . 0.0 110.943 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.83 0.348 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.71 -39.13 93.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.986 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.88 -38.58 86.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.769 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.3 t -59.93 -48.11 89.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.792 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.29 -39.23 74.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.942 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -46.3 79.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.9 t -66.62 -35.8 75.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.5 ttt-85 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.846 0.355 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -64.07 -45.06 90.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 mt -62.11 -34.81 77.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.6 t -68.21 -40.55 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.275 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -66.03 -49.23 68.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.302 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 m -68.13 -37.0 77.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.461 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 mtp-105 -59.95 -40.4 88.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.067 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.5 mt . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.922 0.391 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -63.56 -35.75 81.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.626 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.81 -34.85 75.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.71 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.67 -49.82 82.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.744 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -70.34 -35.86 73.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.715 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.5 -46.18 73.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.846 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.8 t -65.16 -35.92 76.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.801 0.334 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -59.96 -38.12 81.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mt -58.67 -34.8 71.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.6 t -64.89 -43.86 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.485 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.04 -49.32 68.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.4 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 m -68.16 -36.85 76.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.499 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 -59.79 -35.14 74.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.019 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.5 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.065 179.904 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.853 0.358 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -45.91 81.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.407 ' O ' HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -60.84 -36.41 79.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.529 179.817 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.511 ' O ' HG21 ' A' ' 31' ' ' VAL . 32.3 t -60.6 -47.43 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.124 0.487 . . . . 0.0 110.396 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.17 -42.67 68.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.783 179.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -46.6 88.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.104 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.511 HG21 ' O ' ' A' ' 28' ' ' VAL . 19.4 m -67.16 -43.59 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 CA-C-O 120.872 0.368 . . . . 0.0 111.119 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.816 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.76 0.314 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -58.35 -36.95 74.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 mt -62.64 -34.91 78.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.802 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.5 t -63.9 -34.12 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.225 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.13 -47.56 73.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.304 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.9 m -68.02 -38.7 80.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.431 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -42.18 92.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.355 -179.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.0 pt . . . . . 0 N--CA 1.449 -0.499 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.317 -179.83 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.9 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.87 0.366 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -60.07 -35.84 76.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.025 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 tp -60.8 -38.06 84.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.773 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.4 t -60.0 -50.69 79.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.776 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -35.83 74.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.818 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -66.78 -46.37 75.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.17 -35.86 76.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.99 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.788 0.328 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -63.6 -39.48 94.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.443 ' O ' HG21 ' A' ' 12' ' ' VAL . 1.2 mt -57.98 -34.54 70.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.108 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.9 t -66.97 -43.53 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.444 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.5 m -66.16 -49.29 67.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.626 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.443 HG21 ' O ' ' A' ' 9' ' ' LEU . 0.8 OUTLIER -61.98 -36.41 73.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.595 -179.625 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -33.95 71.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.257 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 28.6 mm . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.795 0.331 . . . . 0.0 110.983 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.0 m . . . . . 0 N--CA 1.454 -0.238 0 CA-C-O 120.946 0.403 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -58.66 -35.92 73.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.038 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.65 -39.42 88.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.8 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.7 t -60.13 -50.21 81.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.749 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -70.28 -37.8 74.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.0 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -65.76 -46.33 79.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.976 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.5 t -69.22 -35.87 70.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.045 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.103 -179.825 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.8 ttm-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.814 0.34 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -60.66 -39.89 90.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.407 ' O ' HG22 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -57.93 -35.81 71.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.116 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.0 t -69.25 -44.14 80.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.431 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.2 m -66.1 -49.19 68.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.526 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 9' ' ' LEU . 2.6 m -61.4 -38.41 79.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.376 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -35.52 75.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.7 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.045 179.908 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.848 0.356 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.23 -42.31 94.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 tp -60.91 -38.13 84.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.6 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -59.96 -47.76 90.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.741 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -70.29 -38.56 75.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.814 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.87 -46.13 75.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.791 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 52.2 t -68.71 -35.83 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.837 0.351 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -65.39 -33.36 75.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.819 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.462 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.5 mt -60.88 -34.64 74.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.014 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.08 -39.71 85.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.434 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.447 ' O ' HG13 ' A' ' 14' ' ' ILE . 16.3 m -65.95 -47.58 74.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.775 -179.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -68.31 -36.9 76.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.811 -179.442 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -70.12 -42.51 72.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.735 -179.426 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 11' ' ' THR . 2.7 pp . . . . . 0 N--CA 1.45 -0.47 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.364 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.886 0.374 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.64 -42.5 98.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mp -60.87 -41.59 96.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.624 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.8 t -60.05 -46.6 94.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.783 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.33 -41.07 73.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.892 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.5 -46.17 80.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.812 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.4 t -68.88 -35.83 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.794 0.33 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -61.17 -35.78 78.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 mt -60.71 -34.76 74.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.944 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.9 t -62.16 -36.07 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.324 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 48.1 m -66.19 -49.16 68.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.472 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 m -63.76 -37.62 80.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.715 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -34.05 72.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.186 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.8 mm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.927 179.827 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.849 0.356 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.26 -37.19 86.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mp -60.95 -36.49 79.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.723 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -59.91 -49.54 83.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.81 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -70.32 -37.82 74.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.866 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -46.32 77.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.06 -35.84 76.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.885 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.805 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.176 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.9 m -105.05 -67.21 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 60.43 -175.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.027 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.7 mtt -77.58 -47.13 20.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 104.04 49.51 1.07 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.587 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -144.09 20.94 1.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.717 0.294 . . . . 0.0 111.159 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -71.18 -35.29 71.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.974 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -68.08 -36.22 79.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.026 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.5 mt -66.03 -34.9 79.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.072 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.89 -40.59 85.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.34 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 m -64.55 -49.11 72.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.506 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.4 m -64.08 -38.97 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.437 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 ttt-85 -59.58 -34.1 72.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.129 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.4 mt -74.83 -32.08 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.035 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -71.96 -36.98 70.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.1 mtp-105 -59.71 -31.31 69.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.73 -14.83 31.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.498 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.37 -105.61 0.01 OUTLIER Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.612 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -88.58 145.59 35.6 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.608 0.242 . . . . 0.0 110.932 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -60.93 -64.36 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.555 2.17 . . . . 0.0 112.251 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.06 117.28 19.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.002 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -179.77 -38.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -60.78 -31.65 71.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.848 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -59.96 -37.58 79.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.3 t -68.1 -37.43 78.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.046 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -66.66 -40.09 88.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.695 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.04 -38.14 85.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.608 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -59.92 -48.13 88.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.808 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -70.25 -38.28 75.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.824 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -66.95 -46.15 75.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.752 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 52.0 t -68.58 -35.89 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.975 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -31.21 65.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 92.2 p -134.46 73.11 1.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -89.83 117.89 29.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -153.9 136.43 9.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.824 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.28 175.97 9.24 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.477 2.118 . . . . 0.0 112.354 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -134.65 145.53 48.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.91 146.5 51.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.72 163.57 16.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.203 -0.904 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.22 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -163.99 65.61 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.909 0.385 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 59.75 32.36 21.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -107.57 173.17 6.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -140.28 130.4 4.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.463 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.71 -51.51 3.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -65.15 -47.98 75.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -62.41 -32.93 73.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 mt -63.36 -34.81 78.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.94 -37.19 71.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.31 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 m -66.11 -49.05 68.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.283 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.4 m -68.07 -38.36 79.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.505 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -34.01 72.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.11 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.2 mt -77.52 -36.7 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.982 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.03 -31.27 66.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.951 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.98 -27.28 39.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.026 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.87 -17.13 60.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.459 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.94 118.21 8.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.405 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -124.41 77.71 61.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.752 0.311 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -61.44 -63.77 0.1 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.596 2.198 . . . . 0.0 112.184 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -160.49 -43.12 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.031 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -56.54 -33.09 65.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -64.2 -43.49 94.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.831 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -65.19 -36.92 85.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.826 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.9 t -65.72 -35.96 76.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.028 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -62.39 -39.8 94.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -60.95 -37.01 80.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.571 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 32.5 t -59.94 -49.93 82.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.707 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -70.25 -35.47 73.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.811 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -68.23 -46.29 70.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.828 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.5 t -69.03 -35.89 71.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.42 -31.5 72.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.9 m -87.63 174.3 8.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.782 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 58.52 28.73 17.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -139.83 135.14 16.38 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.704 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -61.49 -25.57 79.82 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.465 2.11 . . . . 0.0 112.196 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -77.29 126.32 30.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.15 -56.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 60.7 70.48 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.074 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.924 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.146 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -143.28 -54.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.839 0.352 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -172.27 -41.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.6 tpt 62.91 95.27 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -113.74 172.36 14.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.409 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -137.67 30.2 2.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.762 0.315 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -44.98 83.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.764 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -32.74 74.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.824 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.402 ' O ' HG23 ' A' ' 12' ' ' VAL . 2.6 mt -57.73 -34.56 69.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.024 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.8 t -60.58 -41.83 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.442 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.0 m -66.19 -49.45 67.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.583 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 9' ' ' LEU . 2.7 m -68.19 -36.98 77.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.48 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -59.64 -36.05 75.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.01 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.3 mt -78.01 -34.94 19.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.945 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -72.03 -41.66 67.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.4 mtm-85 -58.54 -27.41 64.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.98 -17.08 60.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.399 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 138.57 145.95 4.9 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.575 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 -128.41 90.33 47.11 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.725 0.298 . . . . 0.0 110.774 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -61.4 -66.35 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.608 2.205 . . . . 0.0 112.399 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 mt -117.78 -29.03 5.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.226 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -52.3 -27.65 16.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.232 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -62.78 -34.77 77.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.941 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -64.22 -37.74 88.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.063 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.2 t -68.07 -37.91 78.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.136 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -65.44 -35.99 82.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.708 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.03 -36.44 79.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.727 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.83 -49.86 82.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.805 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -36.89 74.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.859 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.87 -46.26 75.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.844 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.7 t -66.06 -35.92 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.86 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.44 -30.68 67.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -109.58 172.18 7.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.12 162.66 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.77 117.05 67.27 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.33 111.78 3.01 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.455 2.104 . . . . 0.0 112.324 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -108.19 143.3 37.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -145.52 164.18 32.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -163.9 31.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.919 179.969 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.153 0 N-CA-C 112.575 -0.21 . . . . 0.0 112.575 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -116.54 143.07 46.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 110.977 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.8 t60 63.17 144.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.2 mmm -170.79 124.76 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -102.21 175.62 25.02 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.478 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -142.79 -51.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -71.03 -48.06 55.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.824 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.2 -37.6 81.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.994 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 mt -66.04 -35.01 79.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.187 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.15 -40.59 74.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.454 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.1 m -65.55 -49.16 69.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.624 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 m -66.74 -38.7 82.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.722 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -34.54 72.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.205 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.3 mt -72.76 -32.12 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.01 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -65.02 -38.13 89.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.1 -9.73 59.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.412 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.3 13.03 16.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.594 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.9 117.88 3.55 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.414 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -146.62 92.28 5.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.67 0.272 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -59.77 -64.51 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.535 2.157 . . . . 0.0 112.178 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -61.18 118.66 7.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.839 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.15 -36.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -58.3 -34.47 70.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -60.51 -39.24 87.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 t -68.08 -35.95 73.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.124 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.87 -37.87 88.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.97 -37.27 81.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.767 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.87 -47.71 90.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -70.14 -39.32 75.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.818 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.78 -46.19 76.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.762 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -69.07 -35.72 70.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.983 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.93 -41.7 78.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.21 98.7 3.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.776 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -111.57 -34.66 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.31 76.98 1.13 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.129 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.99 156.0 38.53 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.603 2.202 . . . . 0.0 112.254 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -110.33 118.65 36.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.95 85.8 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 58.84 31.56 21.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.181 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.6 p . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.86 -179.938 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.74 36.75 19.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 0.0 110.86 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -163.21 93.66 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -129.75 130.78 45.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 136.19 151.36 6.08 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.497 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -77.37 150.89 35.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.792 0.329 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -60.26 -33.19 71.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -61.78 -44.64 96.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 mt -58.28 -34.73 70.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.9 t -66.13 -43.34 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.414 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.08 -49.16 68.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 111.423 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 m -67.28 -36.62 77.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.567 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.6 -39.01 82.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.153 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.7 mm -73.21 -31.96 36.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.958 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -72.0 -36.88 69.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.48 -40.51 91.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.96 -17.05 27.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.439 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.15 -137.84 19.75 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.295 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.409 ' N ' ' HD3' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -138.27 65.55 42.75 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.814 0.34 . . . . 0.0 110.924 179.884 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.409 ' HD3' ' N ' ' A' ' 19' ' ' ARG . 17.0 Cg_exo -66.79 -65.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.675 2.25 . . . . 0.0 112.165 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.5 mt -78.18 110.97 13.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.989 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -167.23 -41.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -68.12 -40.95 82.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.516 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.6 mtt85 -65.74 -36.87 84.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.576 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.33 -35.93 69.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.038 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -62.36 -41.76 98.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.98 -37.27 81.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.451 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.86 -49.99 81.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.74 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -70.31 -36.62 74.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.801 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.86 -46.21 75.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.863 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.81 -35.87 75.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.967 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -43.94 97.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 m -90.53 102.29 15.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -136.95 131.91 33.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -147.96 83.72 7.23 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.54 -28.55 21.35 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.582 2.188 . . . . 0.0 112.348 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.6 123.78 32.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.51 140.57 58.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.89 -34.12 76.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.987 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.5 m . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.911 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.187 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.6 p -153.9 131.71 11.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.365 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -72.58 -177.82 2.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -47.45 85.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 83.7 155.88 21.57 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.446 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.4 -66.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.332 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.5 mtt85 -62.36 -44.11 97.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.0 -36.16 76.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.815 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 mt -66.04 -34.79 78.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.6 t -60.81 -33.83 56.82 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.353 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.8 m -61.72 -49.25 77.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.52 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.1 m -68.12 -38.15 79.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.482 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -59.55 -34.0 72.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.119 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.9 mt -74.8 -32.1 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.972 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.83 -37.4 73.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 62.7 mtm180 -80.01 -31.14 39.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.4 -17.1 60.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.427 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 166.02 -113.89 0.56 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.46 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -141.09 110.67 6.52 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 120.487 0.184 . . . . 0.0 110.838 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -60.55 -64.54 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.433 2.089 . . . . 0.0 112.181 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.5 mt -85.01 116.26 23.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -179.06 -37.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.991 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.14 -39.43 94.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -65.98 -38.79 89.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.2 t -68.15 -36.99 77.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.02 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.9 -39.66 90.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.751 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.0 -38.02 84.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.611 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.6 t -60.37 -49.27 84.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.761 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -70.36 -38.52 74.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.902 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -65.72 -46.21 79.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.9 t -69.05 -36.44 73.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.998 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -71.16 -41.75 69.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.1 m -81.1 -34.35 32.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.028 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.52 133.74 55.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.32 113.32 27.38 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.42 174.32 0.26 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.425 2.083 . . . . 0.0 112.335 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -110.84 -31.55 7.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.0 m -104.54 146.07 29.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.87 122.96 39.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.88 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 m -154.99 160.73 41.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -141.86 -176.74 4.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.771 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.58 141.02 47.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 154.8 -130.01 2.73 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.606 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.435 ' HD2' ' CZ ' ' A' ' 8' ' ' PHE . 6.2 mmt-85 -82.83 102.7 11.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 110.907 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.14 -48.03 54.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.286 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.435 ' CZ ' ' HD2' ' A' ' 6' ' ' ARG . 15.5 p90 -58.86 -32.87 69.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.146 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.425 ' N ' ' CD1' ' A' ' 8' ' ' PHE . 1.4 mt -60.14 -34.94 74.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.018 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.0 t -63.18 -40.96 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.587 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -49.06 69.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.324 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.4 m -62.98 -39.89 86.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.534 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -34.24 72.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.071 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.2 mt -77.99 -36.87 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.079 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.99 -44.04 64.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -69.0 -24.43 64.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.91 3.93 31.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.715 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -134.13 146.76 18.7 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.462 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.1 87.89 0.13 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.679 0.276 . . . . 0.0 110.975 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -61.23 -64.39 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.601 2.201 . . . . 0.0 112.139 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 77.1 mt -58.29 108.51 0.62 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.782 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -159.62 -42.45 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -52.63 -50.92 62.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 mtt-85 -63.12 -38.16 90.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.721 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.4 t -68.05 -35.91 73.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.075 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.45 -42.17 73.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.042 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.85 -38.84 86.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.599 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.99 -48.4 87.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.726 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.7 mttp -70.22 -39.36 75.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.867 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.411 ' CE1' ' HG3' ' A' ' 34' ' ' ARG . 1.3 t80 -65.81 -46.08 79.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.93 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.6 t -68.12 -35.83 73.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.959 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -69.58 -41.85 75.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -166.18 156.95 12.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.411 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -135.64 116.76 14.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -159.33 139.75 8.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -85.15 12.55 3.04 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.724 2.283 . . . . 0.0 112.896 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -56.64 122.79 12.88 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.849 0.357 . . . . 0.0 111.014 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.3 t -154.1 -46.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -136.32 -46.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.847 179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.176 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.98 101.31 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.773 0.321 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.02 -48.65 3.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 6.7 mtt 60.32 106.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.76 -179.6 38.19 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.0 tpp180 -100.0 88.0 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.351 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -33.41 75.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -59.9 -39.87 86.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.406 ' O ' HG21 ' A' ' 12' ' ' VAL . 9.0 mt -60.49 -34.8 74.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.4 t -61.82 -39.81 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.401 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -49.27 67.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.402 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.406 HG21 ' O ' ' A' ' 9' ' ' LEU . 3.1 m -68.11 -36.95 77.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.511 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -59.55 -33.88 71.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.173 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.8 mt -69.43 -35.67 68.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -29.53 64.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.796 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.76 -20.59 50.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.303 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.82 -17.08 60.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.399 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -119.4 45.93 1.19 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.36 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.3 mtm180 -137.93 157.63 72.82 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.704 0.288 . . . . 0.0 110.98 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -64.89 -55.66 0.48 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.646 2.231 . . . . 0.0 112.193 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 mm? 65.49 11.73 7.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.509 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -133.52 -42.87 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.807 0.337 . . . . 0.0 111.067 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -56.73 -30.78 63.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -59.9 -37.41 79.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.79 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.5 t -68.09 -35.9 73.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.999 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.76 -35.84 81.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.779 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.86 -35.8 77.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.788 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.88 -49.84 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.018 0.437 . . . . 0.0 110.805 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -70.28 -36.13 74.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.791 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.7 -46.25 72.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.796 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.4 t -69.02 -35.92 71.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.51 -31.15 69.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.852 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.0 m -78.2 62.2 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -153.91 65.6 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.9 tpt85 56.89 99.19 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -46.58 145.07 6.72 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.603 2.202 . . . . 0.0 112.562 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.98 124.13 19.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.8 p -123.5 92.9 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -142.11 155.55 45.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.073 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.2 p . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.935 179.958 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -130.58 93.51 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.79 0.329 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 44.7 t60 60.08 167.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.8 mtm -164.4 93.58 0.68 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.83 -86.99 0.31 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -88.98 138.77 31.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.806 0.336 . . . . 0.0 110.855 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -71.06 -44.33 65.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.077 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -68.16 -40.9 82.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.17 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 mt -66.03 -41.37 91.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.359 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.91 -40.65 73.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.36 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.8 m -63.9 -47.79 79.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -37.24 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.014 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -40.58 95.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.0 mt -78.06 -33.04 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -72.05 -42.93 65.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.996 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -78.38 -44.32 25.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.048 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.28 13.18 18.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.619 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -143.84 150.74 22.73 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.581 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -166.99 78.01 1.01 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 110.753 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -60.97 -66.46 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.599 2.2 . . . . 0.0 112.314 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 66.61 -72.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.864 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -94.95 -30.94 13.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.764 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -59.47 -30.26 68.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 -58.39 -37.04 74.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.8 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.6 t -66.77 -35.89 75.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.896 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.482 ' CE2' ' CE1' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -54.95 -40.03 69.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.053 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.91 -39.37 89.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.628 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -59.87 -48.38 87.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.636 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.28 -37.57 74.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.779 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.482 ' CE1' ' CE2' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -66.92 -46.23 75.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.781 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.6 t -68.93 -35.86 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.933 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.7 mtp85 -58.1 -46.01 86.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.1 t -152.76 132.61 13.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.945 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -177.33 -40.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.423 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -157.57 63.62 2.9 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.895 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.423 ' HD3' ' N ' ' A' ' 35' ' ' ARG . 29.2 Cg_exo -61.85 124.81 15.21 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.58 2.187 . . . . 0.0 112.298 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 61.12 114.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.977 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.2 m -162.74 -47.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.35 -34.71 74.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 79.0 p . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.898 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 p 53.96 77.35 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.838 0.351 . . . . 0.0 111.066 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -105.82 -64.07 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 11.8 tpt -114.44 96.75 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.89 -114.62 0.15 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.452 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -151.66 24.42 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.741 0.305 . . . . 0.0 111.06 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -39.22 72.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.901 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -68.03 -37.04 80.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.3 mt -66.01 -34.9 79.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.106 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.67 -40.23 85.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.364 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.438 ' O ' HG13 ' A' ' 14' ' ' ILE . 5.0 m -65.43 -47.54 75.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.407 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.7 m -68.45 -39.93 81.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.682 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -63.45 -42.67 98.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.839 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 11' ' ' THR . 1.8 pp -78.25 -34.1 18.34 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-O 120.775 0.322 . . . . 0.0 111.297 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -72.17 -31.84 66.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -77.15 -20.99 54.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.199 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.93 -17.1 60.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.411 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.5 -127.4 8.01 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.494 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.9 mtt85 -123.01 79.46 51.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.749 0.309 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -66.22 -54.69 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.658 2.238 . . . . 0.0 112.129 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.96 115.43 4.4 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.968 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -178.61 -47.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.28 -36.62 84.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.691 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -66.11 -36.83 84.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.845 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.7 t -62.17 -35.88 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.108 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.83 -38.99 92.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mp -60.9 -36.49 79.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.659 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -59.98 -50.09 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.79 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -36.24 74.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.785 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.24 -46.26 74.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.827 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.6 t -67.11 -35.93 75.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.941 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.7 -39.41 84.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.793 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 t -120.85 62.12 0.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.806 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.9 mtp-105 -71.49 164.22 26.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.42 103.96 25.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -48.95 110.46 0.35 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.523 2.148 . . . . 0.0 112.405 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 37.5 ttt-85 -119.7 -64.74 1.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.7 -50.77 10.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 65.47 -77.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.061 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.864 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -88.23 -48.33 7.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -66.58 87.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.87 155.62 18.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 136.15 -153.81 21.67 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 68.69 -67.4 0.21 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.782 0.325 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 -69.78 -48.1 60.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.23 -33.0 72.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.758 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.457 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.8 mt -65.63 -34.64 78.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.137 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.5 t -67.15 -38.73 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.395 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.9 m -66.1 -49.3 68.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.54 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 9' ' ' LEU . 0.8 OUTLIER -66.43 -36.64 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.557 -179.696 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.408 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.63 -34.81 73.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.034 -179.765 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.1 mt -74.36 -35.33 39.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.917 0.389 . . . . 0.0 110.988 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -71.94 -38.74 69.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.802 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 26.7 mmt85 -80.05 -21.43 43.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.216 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.92 -17.12 60.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.528 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.65 -105.84 2.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.493 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.06 154.26 40.49 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.663 0.268 . . . . 0.0 110.999 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_exo -60.66 -65.17 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.496 2.131 . . . . 0.0 112.236 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -178.57 -68.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.967 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -132.73 7.56 4.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.51 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.37 -40.37 93.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.822 0.344 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -36.95 84.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.18 -38.23 80.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -40.19 93.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.732 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.66 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.4 t -59.93 -46.67 93.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.647 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -70.25 -41.31 73.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.778 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -46.21 83.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.804 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.3 t -66.91 -35.97 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.018 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -70.74 -40.21 72.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.3 t -59.67 91.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.02 86.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -160.07 125.86 2.34 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.59 164.36 2.22 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.406 2.071 . . . . 0.0 112.249 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -161.53 31.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.41 -47.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -116.43 152.52 33.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.907 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 m -59.96 -173.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.804 0.335 . . . . 0.0 110.848 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -177.46 -39.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.6 mmm -101.64 137.06 40.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.996 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.24 86.11 0.24 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.318 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -172.07 -33.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.694 0.283 . . . . 0.0 111.209 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -58.64 -31.94 68.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.039 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -58.95 -39.79 82.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.675 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.424 ' O ' HG21 ' A' ' 12' ' ' VAL . 1.8 mt -66.1 -34.49 78.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.783 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.1 t -65.06 -40.72 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.514 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -49.59 67.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.32 . . . . 0.0 111.338 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.424 HG21 ' O ' ' A' ' 9' ' ' LEU . 1.1 m -68.31 -36.85 76.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.35 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.4 ttp85 -59.81 -36.85 77.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.0 mt -73.1 -31.97 37.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.971 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -68.94 -29.55 67.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -79.46 -23.7 42.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.09 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.84 13.07 15.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.595 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -99.27 -97.58 2.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.4 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -147.62 105.58 3.73 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.587 0.232 . . . . 0.0 110.806 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -59.51 -66.83 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.356 2.037 . . . . 0.0 112.18 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 66.88 11.08 8.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.523 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -85.19 -35.47 21.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.334 . . . . 0.0 111.067 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -63.72 -34.02 76.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.27 -36.88 84.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.881 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.1 t -61.81 -36.07 71.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.163 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -59.92 -44.04 94.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.93 -37.36 82.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.468 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.1 t -59.96 -48.21 88.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.685 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -37.77 74.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.742 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -46.17 75.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.799 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.7 t -66.04 -35.85 76.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -56.95 -31.01 64.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.788 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.0 t -108.03 175.37 5.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.699 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.42 -66.61 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.2 ttt85 -159.58 98.02 1.56 Allowed Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.959 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.8 -174.51 0.74 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.445 2.097 . . . . 0.0 112.239 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -38.62 90.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.3 t -157.43 -48.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -144.73 169.22 18.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.927 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.233 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 m -114.74 65.65 0.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.876 0.369 . . . . 0.0 110.959 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 70.15 -63.95 0.38 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.8 mmt -48.77 135.56 14.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.237 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.4 45.77 0.57 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.478 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.9 ttt85 -58.49 127.38 31.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 0.0 110.946 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -64.72 -41.15 96.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -45.06 87.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.003 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.412 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 1.2 mt -57.95 -34.67 70.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.068 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.412 ' O ' HG12 ' A' ' 14' ' ' ILE . 47.9 t -63.95 -46.54 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.694 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.07 -49.32 68.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.802 0.334 . . . . 0.0 111.826 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.412 ' CG2' ' HA ' ' A' ' 9' ' ' LEU . 1.1 m -63.18 -36.51 76.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.733 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -33.93 71.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.242 -179.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 10' ' ' VAL . 34.1 mm -62.76 -40.62 89.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.925 0.393 . . . . 0.0 110.943 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -72.08 -31.78 66.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.2 mtt-85 -64.97 -16.47 63.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.201 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.91 -17.08 60.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.428 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.75 170.29 12.17 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.49 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.73 97.71 46.24 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.595 0.236 . . . . 0.0 110.811 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -59.48 -65.32 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.462 2.108 . . . . 0.0 112.252 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 pp -178.22 -38.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.03 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.95 -31.19 25.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.962 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.68 -31.98 72.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.993 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -41.97 98.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.991 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.11 -35.91 73.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.123 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.71 -39.13 93.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.986 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.88 -38.58 86.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.769 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.3 t -59.93 -48.11 89.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.792 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.29 -39.23 74.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.942 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -46.3 79.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.9 t -66.62 -35.8 75.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -29.0 68.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 p -98.44 -35.71 10.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.054 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.25 77.45 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.34 113.06 9.96 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -72.67 61.63 3.66 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.428 2.085 . . . . 0.0 112.299 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -152.81 148.42 27.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.2 p -86.63 170.95 11.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.02 -178.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.8 p . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.927 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t 60.68 39.37 17.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -106.27 -26.92 11.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.005 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 37.2 mtp 64.84 155.53 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 145.09 -168.63 27.0 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.545 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.65 47.47 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 110.846 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.5 ttt-85 -59.67 -38.67 82.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.029 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -64.07 -45.06 90.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 mt -62.11 -34.81 77.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.6 t -68.21 -40.55 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.275 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -66.03 -49.23 68.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.302 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 m -68.13 -37.0 77.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.461 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 mtp-105 -59.95 -40.4 88.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.067 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.5 mt -77.99 -32.0 17.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -68.0 -32.59 73.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -80.03 -32.85 39.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.0 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.38 -17.08 37.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.456 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.8 172.57 53.26 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.462 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.413 ' HB3' ' CD ' ' A' ' 20' ' ' PRO . 1.4 mtt85 -59.32 171.37 0.76 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.621 0.248 . . . . 0.0 110.709 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.413 ' CD ' ' HB3' ' A' ' 19' ' ' ARG . 28.0 Cg_exo -61.36 -65.15 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.462 2.108 . . . . 0.0 112.412 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.65 -40.8 0.55 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.469 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -45.95 -29.36 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.547 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -36.1 71.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.248 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -58.03 -41.04 82.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.344 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.02 -41.84 84.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.975 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -63.56 -35.75 81.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.626 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.81 -34.85 75.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.71 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.67 -49.82 82.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.744 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -70.34 -35.86 73.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.715 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.5 -46.18 73.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.846 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.8 t -65.16 -35.92 76.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -63.43 -30.61 71.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.63 121.61 31.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -154.23 121.03 5.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.82 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.19 90.67 5.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.949 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -68.7 164.88 31.51 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.495 2.13 . . . . 0.0 112.325 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.24 62.53 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.1 p 56.64 -171.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -161.23 -47.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.052 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.1 p . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.9 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 112.534 -0.227 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.79 -41.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -88.0 88.12 7.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -98.63 150.99 21.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 157.01 137.16 2.25 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.469 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -100.4 -49.81 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -62.45 -37.77 87.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -59.96 -38.12 81.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mt -58.67 -34.8 71.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.6 t -64.89 -43.86 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.485 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.04 -49.32 68.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.4 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 m -68.16 -36.85 76.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.499 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 -59.79 -35.14 74.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.019 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.5 mt -78.02 -32.32 17.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.065 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -62.44 -37.55 86.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.969 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -25.41 65.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.89 -17.19 60.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.503 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -139.67 33.63 2.11 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.468 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.7 mtt-85 61.55 152.93 0.11 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.656 0.265 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -62.47 -66.91 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.554 2.169 . . . . 0.0 112.216 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.4 mp 61.02 -82.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.059 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -69.95 -36.01 74.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.932 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -63.25 -37.04 85.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.962 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -62.11 -36.88 83.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.9 t -58.18 -36.01 55.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.115 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -45.91 81.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.407 ' O ' HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -60.84 -36.41 79.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.529 179.817 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.511 ' O ' HG21 ' A' ' 31' ' ' VAL . 32.3 t -60.6 -47.43 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.124 0.487 . . . . 0.0 110.396 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.17 -42.67 68.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.783 179.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -46.6 88.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.104 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.511 HG21 ' O ' ' A' ' 28' ' ' VAL . 19.4 m -67.16 -43.59 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 CA-C-O 120.872 0.368 . . . . 0.0 111.119 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -39.62 86.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.816 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 t -84.36 77.53 9.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -138.11 -46.23 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -74.91 148.65 84.89 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.91 -61.65 0.45 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.591 2.194 . . . . 0.0 112.328 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -76.04 155.45 34.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.6 m -139.97 76.1 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.57 -69.12 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.2 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 p -76.08 157.23 33.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 61.2 32.63 19.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.1 ttp 60.67 158.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.82 -166.58 14.55 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.493 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? 63.11 124.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.864 0.364 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.96 -31.8 72.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -58.35 -36.95 74.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 mt -62.64 -34.91 78.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.802 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.5 t -63.9 -34.12 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.225 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.13 -47.56 73.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.304 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.9 m -68.02 -38.7 80.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.431 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -42.18 92.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.355 -179.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.0 pt -74.07 -31.9 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.317 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -63.85 -32.23 73.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.7 mtt-85 -78.37 -23.22 46.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.57 13.12 16.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.55 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -109.08 -120.1 4.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.4 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.59 86.55 7.31 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.708 0.29 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -62.73 -59.56 0.24 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.618 2.212 . . . . 0.0 112.105 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 66.77 -80.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -88.31 -33.58 17.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -58.98 -27.85 65.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.056 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.16 -43.57 91.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.087 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.9 t -67.99 -37.09 77.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.132 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -60.07 -35.84 76.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.025 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 tp -60.8 -38.06 84.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.773 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.4 t -60.0 -50.69 79.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.776 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -35.83 74.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.818 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -66.78 -46.37 75.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.17 -35.86 76.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.99 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.3 -38.41 78.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 97.2 p -101.75 85.38 2.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.84 172.15 13.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.78 99.79 44.23 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -67.0 126.59 15.43 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.417 2.078 . . . . 0.0 112.237 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.76 116.34 18.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.9 p -112.43 132.49 55.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.98 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.82 30.48 3.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.066 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 p -173.22 -177.66 1.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.841 0.353 . . . . 0.0 110.841 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -154.75 -46.31 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.08 42.8 1.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 142.19 172.86 13.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.21 27.59 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.746 0.308 . . . . 0.0 110.983 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -37.54 72.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -63.6 -39.48 94.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.443 ' O ' HG21 ' A' ' 12' ' ' VAL . 1.2 mt -57.98 -34.54 70.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.108 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.9 t -66.97 -43.53 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.444 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.5 m -66.16 -49.29 67.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.626 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.443 HG21 ' O ' ' A' ' 9' ' ' LEU . 0.8 OUTLIER -61.98 -36.41 73.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.595 -179.625 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -33.95 71.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.257 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 28.6 mm -66.58 -32.02 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.795 0.331 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -68.16 -26.69 65.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -16.99 61.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.342 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.76 13.12 13.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.709 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.42 145.38 18.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.509 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? 60.6 66.42 1.83 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.788 0.328 . . . . 0.0 111.055 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.51 -65.23 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.651 2.234 . . . . 0.0 112.305 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 tp -102.8 -26.87 12.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -59.62 -19.22 47.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.333 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.01 -30.81 71.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.707 0.289 . . . . 0.0 111.16 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 -66.14 -45.51 80.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.378 . . . . 0.0 111.35 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.0 m -68.44 -40.92 82.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.251 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -58.66 -35.92 73.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.038 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.65 -39.42 88.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.8 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.7 t -60.13 -50.21 81.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.749 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -70.28 -37.8 74.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.0 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.42 ' CD1' ' HD3' ' A' ' 34' ' ' ARG . 2.5 m-85 -65.76 -46.33 79.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.976 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.5 t -69.22 -35.87 70.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.045 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -70.14 -37.03 75.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.103 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.4 p -112.72 -166.72 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.055 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.42 ' HD3' ' CD1' ' A' ' 30' ' ' PHE . 0.6 OUTLIER 61.25 -179.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.979 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.1 ttm-85 57.41 72.43 0.93 Allowed Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.96 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -73.5 132.79 18.02 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.608 2.205 . . . . 0.0 112.253 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -166.18 -66.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.22 156.66 16.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.85 -177.49 5.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.7 m . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.893 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.155 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 t 60.3 82.45 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.2 p-80 -99.45 136.71 39.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 14.2 ttt -107.0 128.89 54.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -105.15 -170.76 24.08 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -111.67 103.42 11.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.372 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.8 ttm-85 -68.53 -36.55 79.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -60.66 -39.89 90.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.407 ' O ' HG22 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -57.93 -35.81 71.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.116 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.0 t -69.25 -44.14 80.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.431 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.2 m -66.1 -49.19 68.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.526 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 9' ' ' LEU . 2.6 m -61.4 -38.41 79.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.376 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -35.52 75.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.7 mt -78.03 -33.85 18.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.045 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -72.01 -31.52 66.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.828 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.8 mtt-85 -79.44 -26.03 41.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.96 -17.14 60.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.332 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.62 -52.4 7.33 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.318 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -105.12 154.55 38.72 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.65 0.262 . . . . 0.0 110.78 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.2 -68.1 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.444 2.096 . . . . 0.0 112.231 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 65.78 10.86 7.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.539 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -77.02 -25.08 52.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.697 0.284 . . . . 0.0 111.071 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -53.94 -38.53 65.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -36.97 84.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.59 -36.01 76.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.136 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.23 -42.31 94.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 tp -60.91 -38.13 84.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.6 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -59.96 -47.76 90.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.741 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -70.29 -38.56 75.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.814 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.87 -46.13 75.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.791 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 52.2 t -68.71 -35.83 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 -58.67 -45.97 88.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.0 t -139.84 123.03 16.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.31 -39.72 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.272 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -95.54 109.64 46.69 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.832 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -57.08 166.0 4.61 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.444 2.096 . . . . 0.0 112.216 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.19 173.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.1 t 43.17 75.6 0.09 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.445 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -148.19 -69.23 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.5 p . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.893 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.142 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -134.07 88.46 2.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.891 0.377 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 43.1 p-80 -60.57 147.35 41.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.0 mtt -81.16 -36.21 30.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -148.92 -50.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.551 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -145.25 160.84 40.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.898 0.38 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -48.03 81.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -65.39 -33.36 75.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.819 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.462 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.5 mt -60.88 -34.64 74.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.014 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.08 -39.71 85.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.434 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.447 ' O ' HG13 ' A' ' 14' ' ' ILE . 16.3 m -65.95 -47.58 74.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.775 -179.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -68.31 -36.9 76.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.811 -179.442 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -70.12 -42.51 72.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.735 -179.426 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 11' ' ' THR . 2.7 pp -71.67 -31.9 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.364 -179.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -63.36 -29.62 70.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -59.44 -30.82 68.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.34 13.04 18.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.48 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -84.62 -99.57 0.64 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.441 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.59 74.95 11.34 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -61.57 -63.4 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.652 2.234 . . . . 0.0 112.207 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 68.94 -69.55 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -110.61 -30.86 7.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.959 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -61.07 -34.59 75.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.6 mtt-85 -64.27 -43.22 95.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.07 -36.06 73.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.2 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.64 -42.5 98.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mp -60.87 -41.59 96.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.624 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.8 t -60.05 -46.6 94.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.783 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.33 -41.07 73.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.892 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.5 -46.17 80.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.812 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.4 t -68.88 -35.83 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -30.59 71.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.7 m -92.22 -33.32 14.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.96 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -119.16 89.28 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.83 112.86 15.81 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.18 -36.56 93.49 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.42 2.08 . . . . 0.0 112.299 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -96.47 105.76 17.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.97 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.2 p 55.11 -168.84 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 61.52 36.83 16.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.089 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.924 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 t -171.25 119.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.341 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -113.95 -169.53 1.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 7.1 ttp -82.44 112.39 19.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 165.91 -147.08 11.71 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.51 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.82 32.04 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -68.36 -41.34 80.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -61.17 -35.78 78.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 mt -60.71 -34.76 74.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.944 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.9 t -62.16 -36.07 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.324 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 48.1 m -66.19 -49.16 68.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.472 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 m -63.76 -37.62 80.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.715 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -34.05 72.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.186 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.8 mm -72.57 -31.92 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.927 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -59.79 -31.93 70.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -76.55 -28.22 56.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.94 -17.08 60.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.418 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.64 -161.37 21.21 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.483 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 58.4 mtm-85 -78.89 163.64 59.42 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.763 0.316 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -61.08 -66.14 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.625 2.216 . . . . 0.0 112.218 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 68.53 9.94 7.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.472 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -116.16 -2.62 12.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.416 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 24' ' ' ARG . 5.5 pm0 -56.7 -31.68 64.71 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.822 0.344 . . . . 0.0 111.083 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' N ' ' HG2' ' A' ' 23' ' ' GLU . 12.2 mtp85 -64.06 -44.93 90.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 t -68.08 -36.02 73.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.131 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.26 -37.19 86.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mp -60.95 -36.49 79.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.723 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -59.91 -49.54 83.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.81 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -70.32 -37.82 74.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.866 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -46.32 77.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.06 -35.84 76.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.885 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -32.09 72.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.805 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.0 t -140.01 105.31 5.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.0 mtt-85 -85.73 -79.0 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -120.8 121.19 29.09 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.944 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.03 -26.7 51.1 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.484 2.123 . . . . 0.0 112.32 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.26 152.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.838 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 91.0 m -91.13 -80.72 0.33 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 177.42 -73.71 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.82 0.343 . . . . 0.0 111.052 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.0 t . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.205 -0.903 . . . . 0.0 110.949 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.437 ' O ' HG12 ' A' ' 10' ' ' VAL . 17.6 mmt85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.817 0.341 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -68.08 -36.22 79.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.026 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 9' ' ' LEU . 5.5 mt -66.03 -34.9 79.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.072 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.437 HG12 ' O ' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -60.89 -40.59 85.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.34 -179.661 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 m -64.55 -49.11 72.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.506 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.4 m -64.08 -38.97 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.437 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 ttt-85 -59.58 -34.1 72.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.129 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.4 mt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.035 179.875 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.3 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.858 0.361 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -66.66 -40.09 88.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.695 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.773 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -61.04 -38.14 85.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.608 179.734 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -59.92 -48.13 88.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.808 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -70.25 -38.28 75.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.824 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -66.95 -46.15 75.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.752 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 27' ' ' LEU . 52.0 t -68.58 -35.89 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.975 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.831 0.348 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -62.41 -32.93 73.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 mt -63.36 -34.81 78.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.94 -37.19 71.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.31 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 m -66.11 -49.05 68.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.283 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.4 m -68.07 -38.36 79.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.505 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -34.01 72.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.11 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.2 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.982 179.809 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.9 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.829 0.347 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -62.39 -39.8 94.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.801 ' O ' HG23 ' A' ' 31' ' ' VAL . 2.2 mm? -60.95 -37.01 80.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.571 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 32.5 t -59.94 -49.93 82.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.707 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -70.25 -35.47 73.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.811 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -68.23 -46.29 70.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.828 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 27' ' ' LEU . 46.5 t -69.03 -35.89 71.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.867 0.365 . . . . 0.0 110.764 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -32.74 74.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.824 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.414 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 2.6 mt -57.73 -34.56 69.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.024 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.8 t -60.58 -41.83 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.442 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.0 m -66.19 -49.45 67.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.583 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.414 ' CG2' ' HA ' ' A' ' 9' ' ' LEU . 2.7 m -68.19 -36.98 77.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.48 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -59.64 -36.05 75.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.01 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.3 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.945 179.782 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.2 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.831 0.348 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -65.44 -35.99 82.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.708 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.81 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -61.03 -36.44 79.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.727 179.852 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.83 -49.86 82.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.805 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -36.89 74.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.859 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.87 -46.26 75.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.844 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 27' ' ' LEU . 59.7 t -66.06 -35.92 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.86 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.491 ' O ' HG12 ' A' ' 10' ' ' VAL . 5.1 mtt180 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.812 0.339 . . . . 0.0 110.824 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.2 -37.6 81.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.994 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 9' ' ' LEU . 8.7 mt -66.04 -35.01 79.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.187 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -57.15 -40.59 74.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.454 -179.708 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.1 m -65.55 -49.16 69.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.624 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 m -66.74 -38.7 82.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.722 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -34.54 72.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.205 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.01 179.925 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.842 0.353 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.87 -37.87 88.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.75 ' O ' HG23 ' A' ' 31' ' ' VAL . 2.8 mm? -60.97 -37.27 81.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.767 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.87 -47.71 90.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -70.14 -39.32 75.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.818 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.78 -46.19 76.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.762 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 27' ' ' LEU . 53.9 t -69.07 -35.72 70.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.983 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.82 0.343 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.802 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.5 t80 -61.78 -44.64 96.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 mt -58.28 -34.73 70.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.9 t -66.13 -43.34 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.414 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.08 -49.16 68.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 111.423 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.802 HG22 ' O ' ' A' ' 8' ' ' PHE . 1.4 m -67.28 -36.62 77.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.567 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.6 -39.01 82.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.153 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.7 mm . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.958 179.881 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.805 0.336 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -62.36 -41.76 98.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.785 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -60.98 -37.27 81.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.451 179.698 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.86 -49.99 81.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.74 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -70.31 -36.62 74.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.801 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.86 -46.21 75.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.863 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' ' 27' ' ' LEU . 62.1 t -66.81 -35.87 75.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.967 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.5 mtt85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.802 0.334 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.0 -36.16 76.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.815 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 9' ' ' LEU . 2.6 mt -66.04 -34.79 78.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.594 HG12 HD11 ' A' ' 14' ' ' ILE . 48.6 t -60.81 -33.83 56.82 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.353 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.8 m -61.72 -49.25 77.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.52 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.1 m -68.12 -38.15 79.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.482 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -59.55 -34.0 72.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.119 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.594 HD11 HG12 ' A' ' 10' ' ' VAL . 7.9 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.972 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.2 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.853 0.358 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.9 -39.66 90.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.751 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.761 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -61.0 -38.02 84.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.611 179.862 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.6 t -60.37 -49.27 84.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.761 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -70.36 -38.52 74.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.902 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -65.72 -46.21 79.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 27' ' ' LEU . 58.9 t -69.05 -36.44 73.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.998 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.979 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.74 0.305 . . . . 0.0 111.286 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.425 ' CD1' ' N ' ' A' ' 9' ' ' LEU . 15.5 p90 -58.86 -32.87 69.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.146 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.425 ' N ' ' CD1' ' A' ' 8' ' ' PHE . 1.4 mt -60.14 -34.94 74.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.018 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.0 t -63.18 -40.96 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.587 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -49.06 69.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.324 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.4 m -62.98 -39.89 86.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.534 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -34.24 72.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.071 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.2 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.079 179.892 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.4 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.86 0.362 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.45 -42.17 73.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.042 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.774 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -60.85 -38.84 86.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.599 179.814 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.99 -48.4 87.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.726 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.7 mttp -70.22 -39.36 75.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.867 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -65.81 -46.08 79.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.93 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.774 HG23 ' O ' ' A' ' 27' ' ' LEU . 59.6 t -68.12 -35.83 73.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.959 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.835 0.35 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -59.9 -39.87 86.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 9' ' ' LEU . 9.0 mt -60.49 -34.8 74.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.4 t -61.82 -39.81 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.401 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.512 ' HA ' HD12 ' A' ' 14' ' ' ILE . 0.2 OUTLIER -66.17 -49.27 67.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.402 -179.693 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.4 ' H ' HG22 ' A' ' 12' ' ' VAL . 3.1 m -68.11 -36.95 77.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.511 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -59.55 -33.88 71.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.173 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 11' ' ' THR . 9.8 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.5 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.903 0.383 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.76 -35.84 81.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.779 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.796 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -60.86 -35.8 77.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.788 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.88 -49.84 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.018 0.437 . . . . 0.0 110.805 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -70.28 -36.13 74.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.791 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.7 -46.25 72.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.796 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 27' ' ' LEU . 48.4 t -69.02 -35.92 71.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.852 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.44 ' O ' HG12 ' A' ' 10' ' ' VAL . 20.8 ptt180 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.774 0.321 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.489 ' O ' HG23 ' A' ' 12' ' ' VAL . 25.0 m-85 -68.16 -40.9 82.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.17 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 mt -66.03 -41.37 91.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.359 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -56.91 -40.65 73.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.36 -179.653 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.8 m -63.9 -47.79 79.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -68.16 -37.24 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.014 -179.885 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -40.58 95.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.0 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.103 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.6 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.893 0.378 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.482 ' CE2' ' CE1' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -54.95 -40.03 69.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.053 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.797 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -60.91 -39.37 89.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.628 179.816 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -59.87 -48.38 87.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.636 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.28 -37.57 74.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.779 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.482 ' CE1' ' CE2' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -66.92 -46.23 75.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.781 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 27' ' ' LEU . 46.6 t -68.93 -35.86 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.933 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.7 mtp85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.967 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.426 ' O ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.854 0.359 . . . . 0.0 110.901 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -68.03 -37.04 80.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 9' ' ' LEU . 8.3 mt -66.01 -34.9 79.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.106 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.426 HG12 ' O ' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -61.67 -40.23 85.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.364 -179.734 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.442 ' O ' HG13 ' A' ' 14' ' ' ILE . 5.0 m -65.43 -47.54 75.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.407 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.7 m -68.45 -39.93 81.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.682 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -63.45 -42.67 98.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.839 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 11' ' ' THR . 1.8 pp . . . . . 0 N--CA 1.449 -0.499 0 CA-C-O 120.775 0.322 . . . . 0.0 111.297 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.7 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.793 0.33 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.83 -38.99 92.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.804 ' O ' HG23 ' A' ' 31' ' ' VAL . 5.3 mp -60.9 -36.49 79.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.659 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -59.98 -50.09 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.79 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -36.24 74.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.785 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.24 -46.26 74.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.827 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.804 HG23 ' O ' ' A' ' 27' ' ' LEU . 61.6 t -67.11 -35.93 75.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.941 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.793 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.795 0.331 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.665 ' O ' HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -61.23 -33.0 72.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.758 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 9' ' ' LEU . 1.8 mt -65.63 -34.64 78.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.137 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.5 t -67.15 -38.73 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.395 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.9 m -66.1 -49.3 68.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.54 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 8' ' ' PHE . 0.8 OUTLIER -66.43 -36.64 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.557 -179.696 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.63 -34.81 73.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.034 -179.765 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.1 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.917 0.389 . . . . 0.0 110.988 179.933 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.92 0.391 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -40.19 93.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.732 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.786 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.66 179.802 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.4 t -59.93 -46.67 93.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.647 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -70.25 -41.31 73.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.778 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -46.21 83.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.804 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 27' ' ' LEU . 61.3 t -66.91 -35.97 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.018 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 179.951 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.775 0.321 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.702 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.9 t80 -58.95 -39.79 82.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.675 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 mt -66.1 -34.49 78.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.783 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.1 t -65.06 -40.72 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.514 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -49.59 67.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.32 . . . . 0.0 111.338 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.702 HG22 ' O ' ' A' ' 8' ' ' PHE . 1.1 m -68.31 -36.85 76.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.35 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.4 ttp85 -59.81 -36.85 77.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.0 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.971 179.922 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.1 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.797 0.332 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -59.92 -44.04 94.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.805 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -60.93 -37.36 82.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.468 179.8 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.1 t -59.96 -48.21 88.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.685 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -37.77 74.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.742 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -46.17 75.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.799 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 27' ' ' LEU . 59.7 t -66.04 -35.85 76.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.788 179.885 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.795 0.331 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.807 ' O ' HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -57.97 -45.06 87.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.003 -179.9 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.426 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 1.2 mt -57.95 -34.67 70.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.068 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.422 ' O ' HG12 ' A' ' 14' ' ' ILE . 47.9 t -63.95 -46.54 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.694 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.07 -49.32 68.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.802 0.334 . . . . 0.0 111.826 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.807 HG22 ' O ' ' A' ' 8' ' ' PHE . 1.1 m -63.18 -36.51 76.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.733 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -33.93 71.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.242 -179.431 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.422 HG12 ' O ' ' A' ' 10' ' ' VAL . 34.1 mm . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.925 0.393 . . . . 0.0 110.943 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.83 0.348 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.71 -39.13 93.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.986 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.786 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.0 OUTLIER -60.88 -38.58 86.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.769 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.3 t -59.93 -48.11 89.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.792 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.29 -39.23 74.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.942 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -46.3 79.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 27' ' ' LEU . 60.9 t -66.62 -35.8 75.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.5 ttt-85 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.846 0.355 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.799 ' O ' HG22 ' A' ' 12' ' ' VAL . 53.3 p90 -64.07 -45.06 90.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 9' ' ' LEU . 2.2 mt -62.11 -34.81 77.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.6 t -68.21 -40.55 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.275 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -66.03 -49.23 68.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.302 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.799 HG22 ' O ' ' A' ' 8' ' ' PHE . 1.7 m -68.13 -37.0 77.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.461 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 mtp-105 -59.95 -40.4 88.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.067 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.5 mt . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.922 0.391 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -63.56 -35.75 81.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.626 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.829 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -60.81 -34.85 75.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.71 179.847 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.67 -49.82 82.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.744 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -70.34 -35.86 73.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.715 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.5 -46.18 73.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.846 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 27' ' ' LEU . 58.8 t -65.16 -35.92 76.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.801 0.334 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.785 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.3 m-85 -59.96 -38.12 81.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 9' ' ' LEU . 4.3 mt -58.67 -34.8 71.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.6 t -64.89 -43.86 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.485 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.04 -49.32 68.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.4 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.785 HG22 ' O ' ' A' ' 8' ' ' PHE . 1.3 m -68.16 -36.85 76.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.499 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 -59.79 -35.14 74.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.019 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.5 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.065 179.904 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.853 0.358 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -45.91 81.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.804 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -60.84 -36.41 79.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.529 179.817 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 32.3 t -60.6 -47.43 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.124 0.487 . . . . 0.0 110.396 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.17 -42.67 68.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.783 179.388 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -46.6 88.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.104 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.804 HG22 ' O ' ' A' ' 27' ' ' LEU . 19.4 m -67.16 -43.59 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 CA-C-O 120.872 0.368 . . . . 0.0 111.119 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.436 ' N ' HG23 ' A' ' 31' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.816 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.76 0.314 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -58.35 -36.95 74.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 mt -62.64 -34.91 78.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.802 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.5 t -63.9 -34.12 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.225 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.13 -47.56 73.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.304 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.9 m -68.02 -38.7 80.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.431 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -42.18 92.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.355 -179.559 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.0 pt . . . . . 0 N--CA 1.449 -0.499 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.317 -179.83 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.9 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.87 0.366 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -60.07 -35.84 76.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.025 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.798 ' O ' HG23 ' A' ' 31' ' ' VAL . 2.4 tp -60.8 -38.06 84.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.773 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.4 t -60.0 -50.69 79.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.776 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -35.83 74.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.818 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -66.78 -46.37 75.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 27' ' ' LEU . 62.0 t -66.17 -35.86 76.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.99 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.788 0.328 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.79 ' O ' HG22 ' A' ' 12' ' ' VAL . 18.1 m-85 -63.6 -39.48 94.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.41 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 1.2 mt -57.98 -34.54 70.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.108 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.9 t -66.97 -43.53 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.444 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.5 m -66.16 -49.29 67.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.626 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.79 HG22 ' O ' ' A' ' 8' ' ' PHE . 0.8 OUTLIER -61.98 -36.41 73.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.595 -179.625 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -33.95 71.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.257 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 28.6 mm . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.795 0.331 . . . . 0.0 110.983 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.0 m . . . . . 0 N--CA 1.454 -0.238 0 CA-C-O 120.946 0.403 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -58.66 -35.92 73.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.038 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.772 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -60.65 -39.42 88.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.8 -179.892 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.7 t -60.13 -50.21 81.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.749 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -70.28 -37.8 74.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.0 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -65.76 -46.33 79.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.976 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 27' ' ' LEU . 47.5 t -69.22 -35.87 70.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.045 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.103 -179.825 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.8 ttm-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.814 0.34 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.907 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -60.66 -39.89 90.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.93 -35.81 71.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.116 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.0 t -69.25 -44.14 80.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.431 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.2 m -66.1 -49.19 68.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.526 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.907 HG22 ' O ' ' A' ' 8' ' ' PHE . 2.6 m -61.4 -38.41 79.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.376 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -35.52 75.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.7 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.045 179.908 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.848 0.356 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.23 -42.31 94.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.781 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.5 tp -60.91 -38.13 84.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.6 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -59.96 -47.76 90.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.741 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -70.29 -38.56 75.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.814 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.87 -46.13 75.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.791 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 27' ' ' LEU . 52.2 t -68.71 -35.83 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.417 ' O ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.837 0.351 . . . . 0.0 110.884 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.58 ' O ' HG22 ' A' ' 12' ' ' VAL . 14.3 m-85 -65.39 -33.36 75.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.819 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 9' ' ' LEU . 1.5 mt -60.88 -34.64 74.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.014 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.51 ' O ' HG23 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -66.08 -39.71 85.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.434 -179.728 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.44 ' O ' HG13 ' A' ' 14' ' ' ILE . 16.3 m -65.95 -47.58 74.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.775 -179.36 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.58 HG22 ' O ' ' A' ' 8' ' ' PHE . 0.7 OUTLIER -68.31 -36.9 76.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.811 -179.442 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -70.12 -42.51 72.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.735 -179.426 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.529 ' C ' HD12 ' A' ' 14' ' ' ILE . 2.7 pp . . . . . 0 N--CA 1.45 -0.47 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.364 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.886 0.374 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.64 -42.5 98.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.753 ' O ' HG23 ' A' ' 31' ' ' VAL . 3.9 mp -60.87 -41.59 96.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.624 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.8 t -60.05 -46.6 94.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.783 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.33 -41.07 73.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.892 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.5 -46.17 80.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.812 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 27' ' ' LEU . 53.4 t -68.88 -35.83 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.794 0.33 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -61.17 -35.78 78.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 mt -60.71 -34.76 74.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.944 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.412 ' O ' HG12 ' A' ' 14' ' ' ILE . 47.9 t -62.16 -36.07 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.324 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 48.1 m -66.19 -49.16 68.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.472 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 m -63.76 -37.62 80.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.715 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -34.05 72.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.186 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 10' ' ' VAL . 18.8 mm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.927 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.849 0.356 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.26 -37.19 86.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.792 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.9 mp -60.95 -36.49 79.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.723 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -59.91 -49.54 83.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.81 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -70.32 -37.82 74.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.866 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -46.32 77.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 27' ' ' LEU . 59.6 t -66.06 -35.84 76.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.885 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.805 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.176 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.9 m -105.05 -67.21 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 60.43 -175.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.027 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.7 mtt -77.58 -47.13 20.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 104.04 49.51 1.07 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.587 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -144.09 20.94 1.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.717 0.294 . . . . 0.0 111.159 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.437 ' O ' HG12 ' A' ' 10' ' ' VAL . 17.6 mmt85 -71.18 -35.29 71.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.974 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -68.08 -36.22 79.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.026 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 9' ' ' LEU . 5.5 mt -66.03 -34.9 79.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.072 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.437 HG12 ' O ' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -60.89 -40.59 85.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.34 -179.661 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 m -64.55 -49.11 72.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.506 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.4 m -64.08 -38.97 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.437 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 ttt-85 -59.58 -34.1 72.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.129 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.4 mt -74.83 -32.08 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.035 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -71.96 -36.98 70.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.1 mtp-105 -59.71 -31.31 69.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.73 -14.83 31.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.498 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.37 -105.61 0.01 OUTLIER Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.612 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -88.58 145.59 35.6 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.608 0.242 . . . . 0.0 110.932 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -60.93 -64.36 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.555 2.17 . . . . 0.0 112.251 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.06 117.28 19.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.002 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -179.77 -38.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -60.78 -31.65 71.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.848 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.7 ' O ' HG23 ' A' ' 28' ' ' VAL . 2.3 mtt180 -59.96 -37.58 79.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.3 t -68.1 -37.43 78.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.046 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -66.66 -40.09 88.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.695 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.773 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -61.04 -38.14 85.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.608 179.734 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 24' ' ' ARG . 21.2 t -59.92 -48.13 88.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.808 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -70.25 -38.28 75.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.824 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -66.95 -46.15 75.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.752 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 27' ' ' LEU . 52.0 t -68.58 -35.89 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.975 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -31.21 65.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 92.2 p -134.46 73.11 1.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -89.83 117.89 29.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -153.9 136.43 9.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.824 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.28 175.97 9.24 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.477 2.118 . . . . 0.0 112.354 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -134.65 145.53 48.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.91 146.5 51.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.72 163.57 16.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.203 -0.904 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.22 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -163.99 65.61 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.909 0.385 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 59.75 32.36 21.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -107.57 173.17 6.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -140.28 130.4 4.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.463 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.548 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -98.71 -51.51 3.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 110.919 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -65.15 -47.98 75.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -62.41 -32.93 73.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 mt -63.36 -34.81 78.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 6' ' ' ARG . 53.4 t -59.94 -37.19 71.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.31 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 m -66.11 -49.05 68.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.283 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.4 m -68.07 -38.36 79.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.505 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -34.01 72.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.11 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.2 mt -77.52 -36.7 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.982 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.03 -31.27 66.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.951 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.98 -27.28 39.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.026 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.87 -17.13 60.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.459 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.94 118.21 8.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.405 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -124.41 77.71 61.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.752 0.311 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -61.44 -63.77 0.1 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.596 2.198 . . . . 0.0 112.184 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.49 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.2 OUTLIER -160.49 -43.12 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.031 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -56.54 -33.09 65.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -64.2 -43.49 94.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.831 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -65.19 -36.92 85.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.826 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 21' ' ' LEU . 28.9 t -65.72 -35.96 76.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.028 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -62.39 -39.8 94.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.801 ' O ' HG23 ' A' ' 31' ' ' VAL . 2.2 mm? -60.95 -37.01 80.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.571 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 32.5 t -59.94 -49.93 82.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.707 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -70.25 -35.47 73.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.811 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -68.23 -46.29 70.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.828 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 27' ' ' LEU . 46.5 t -69.03 -35.89 71.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.42 -31.5 72.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.9 m -87.63 174.3 8.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.782 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 58.52 28.73 17.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -139.83 135.14 16.38 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.704 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -61.49 -25.57 79.82 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.465 2.11 . . . . 0.0 112.196 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -77.29 126.32 30.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.15 -56.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 60.7 70.48 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.074 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.924 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.146 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -143.28 -54.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.839 0.352 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -172.27 -41.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.6 tpt 62.91 95.27 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -113.74 172.36 14.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.409 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -137.67 30.2 2.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.762 0.315 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -44.98 83.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.764 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -32.74 74.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.824 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.414 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 2.6 mt -57.73 -34.56 69.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.024 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.8 t -60.58 -41.83 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.442 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.0 m -66.19 -49.45 67.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.583 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.414 ' CG2' ' HA ' ' A' ' 9' ' ' LEU . 2.7 m -68.19 -36.98 77.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.48 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -59.64 -36.05 75.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.01 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.3 mt -78.01 -34.94 19.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.945 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -72.03 -41.66 67.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.4 mtm-85 -58.54 -27.41 64.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.98 -17.08 60.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.399 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 138.57 145.95 4.9 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.575 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 -128.41 90.33 47.11 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.725 0.298 . . . . 0.0 110.774 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -61.4 -66.35 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.608 2.205 . . . . 0.0 112.399 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 mt -117.78 -29.03 5.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.226 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -52.3 -27.65 16.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.232 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -62.78 -34.77 77.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.941 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -64.22 -37.74 88.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.063 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.2 t -68.07 -37.91 78.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.136 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -65.44 -35.99 82.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.708 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.81 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -61.03 -36.44 79.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.727 179.852 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.83 -49.86 82.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.805 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -36.89 74.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.859 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.87 -46.26 75.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.844 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 27' ' ' LEU . 59.7 t -66.06 -35.92 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.86 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.44 -30.68 67.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -109.58 172.18 7.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.12 162.66 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.77 117.05 67.27 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.33 111.78 3.01 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.455 2.104 . . . . 0.0 112.324 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -108.19 143.3 37.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -145.52 164.18 32.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -163.9 31.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.919 179.969 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.153 0 N-CA-C 112.575 -0.21 . . . . 0.0 112.575 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -116.54 143.07 46.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 110.977 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.8 t60 63.17 144.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.2 mmm -170.79 124.76 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -102.21 175.62 25.02 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.478 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -142.79 -51.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.491 ' O ' HG12 ' A' ' 10' ' ' VAL . 5.1 mtt180 -71.03 -48.06 55.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.824 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.2 -37.6 81.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.994 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 9' ' ' LEU . 8.7 mt -66.04 -35.01 79.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.187 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -57.15 -40.59 74.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.454 -179.708 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.1 m -65.55 -49.16 69.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.624 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 m -66.74 -38.7 82.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.722 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -34.54 72.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.205 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.3 mt -72.76 -32.12 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.01 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -65.02 -38.13 89.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.1 -9.73 59.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.412 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.3 13.03 16.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.594 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.9 117.88 3.55 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.414 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -146.62 92.28 5.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.67 0.272 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -59.77 -64.51 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.535 2.157 . . . . 0.0 112.178 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -61.18 118.66 7.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.839 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.15 -36.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -58.3 -34.47 70.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -60.51 -39.24 87.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 t -68.08 -35.95 73.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.124 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.87 -37.87 88.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.75 ' O ' HG23 ' A' ' 31' ' ' VAL . 2.8 mm? -60.97 -37.27 81.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.767 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.87 -47.71 90.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -70.14 -39.32 75.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.818 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.78 -46.19 76.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.762 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 27' ' ' LEU . 53.9 t -69.07 -35.72 70.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.983 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.93 -41.7 78.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.21 98.7 3.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.776 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -111.57 -34.66 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.31 76.98 1.13 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.129 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.99 156.0 38.53 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.603 2.202 . . . . 0.0 112.254 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -110.33 118.65 36.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.95 85.8 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 58.84 31.56 21.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.181 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.6 p . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.86 -179.938 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.74 36.75 19.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 0.0 110.86 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -163.21 93.66 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -129.75 130.78 45.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 136.19 151.36 6.08 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.497 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -77.37 150.89 35.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.792 0.329 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -60.26 -33.19 71.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.802 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.5 t80 -61.78 -44.64 96.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 mt -58.28 -34.73 70.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.9 t -66.13 -43.34 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.414 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.08 -49.16 68.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 111.423 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.802 HG22 ' O ' ' A' ' 8' ' ' PHE . 1.4 m -67.28 -36.62 77.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.567 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.6 -39.01 82.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.153 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.7 mm -73.21 -31.96 36.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.958 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -72.0 -36.88 69.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.48 -40.51 91.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.96 -17.05 27.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.439 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.15 -137.84 19.75 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.295 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.407 ' N ' ' HD3' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -138.27 65.55 42.75 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.814 0.34 . . . . 0.0 110.924 179.884 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.407 ' HD3' ' N ' ' A' ' 19' ' ' ARG . 17.0 Cg_exo -66.79 -65.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.675 2.25 . . . . 0.0 112.165 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.5 mt -78.18 110.97 13.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.989 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -167.23 -41.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -68.12 -40.95 82.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.516 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.406 ' O ' HG23 ' A' ' 28' ' ' VAL . 23.6 mtt85 -65.74 -36.87 84.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.576 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.33 -35.93 69.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.038 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -62.36 -41.76 98.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.785 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -60.98 -37.27 81.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.451 179.698 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 24' ' ' ARG . 21.7 t -59.86 -49.99 81.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.74 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -70.31 -36.62 74.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.801 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.86 -46.21 75.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.863 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' ' 27' ' ' LEU . 62.1 t -66.81 -35.87 75.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.967 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -43.94 97.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 m -90.53 102.29 15.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -136.95 131.91 33.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -147.96 83.72 7.23 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.54 -28.55 21.35 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.582 2.188 . . . . 0.0 112.348 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.6 123.78 32.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.51 140.57 58.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.89 -34.12 76.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.987 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.5 m . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.911 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.187 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.6 p -153.9 131.71 11.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.365 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -72.58 -177.82 2.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -47.45 85.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 83.7 155.88 21.57 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.446 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.577 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -163.4 -66.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.332 . . . . 0.0 110.906 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.5 mtt85 -62.36 -44.11 97.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.0 -36.16 76.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.815 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 9' ' ' LEU . 2.6 mt -66.04 -34.79 78.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.594 HG12 HD11 ' A' ' 14' ' ' ILE . 48.6 t -60.81 -33.83 56.82 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.353 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.8 m -61.72 -49.25 77.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.52 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.1 m -68.12 -38.15 79.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.482 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -59.55 -34.0 72.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.119 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.594 HD11 HG12 ' A' ' 10' ' ' VAL . 7.9 mt -74.8 -32.1 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.972 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.83 -37.4 73.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 62.7 mtm180 -80.01 -31.14 39.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.4 -17.1 60.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.427 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 166.02 -113.89 0.56 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.46 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -141.09 110.67 6.52 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 120.487 0.184 . . . . 0.0 110.838 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.4 ' HG3' HG22 ' A' ' 14' ' ' ILE . 30.7 Cg_exo -60.55 -64.54 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.433 2.089 . . . . 0.0 112.181 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.5 mt -85.01 116.26 23.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -179.06 -37.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.991 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.14 -39.43 94.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.591 ' O ' HG23 ' A' ' 28' ' ' VAL . 27.0 mtp180 -65.98 -38.79 89.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.2 t -68.15 -36.99 77.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.02 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.9 -39.66 90.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.751 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.761 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -61.0 -38.02 84.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.611 179.862 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 24' ' ' ARG . 19.6 t -60.37 -49.27 84.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.761 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -70.36 -38.52 74.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.902 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -65.72 -46.21 79.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.782 HG13 ' CG ' ' A' ' 36' ' ' PRO . 58.9 t -69.05 -36.44 73.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.998 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -71.16 -41.75 69.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.1 m -81.1 -34.35 32.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.028 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.52 133.74 55.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.32 113.32 27.38 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.782 ' CG ' HG13 ' A' ' 31' ' ' VAL . 52.0 Cg_exo -55.42 174.32 0.26 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.425 2.083 . . . . 0.0 112.335 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.401 ' NH1' ' HB3' ' A' ' 37' ' ' ARG . 1.3 ptp180 -110.84 -31.55 7.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.0 m -104.54 146.07 29.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.87 122.96 39.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.88 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 m -154.99 160.73 41.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -141.86 -176.74 4.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.771 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.58 141.02 47.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 154.8 -130.01 2.73 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.606 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.446 ' HD2' ' CZ ' ' A' ' 8' ' ' PHE . 6.2 mmt-85 -82.83 102.7 11.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 110.907 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.14 -48.03 54.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.286 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.446 ' CZ ' ' HD2' ' A' ' 6' ' ' ARG . 15.5 p90 -58.86 -32.87 69.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.146 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.425 ' N ' ' CD1' ' A' ' 8' ' ' PHE . 1.4 mt -60.14 -34.94 74.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.018 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.0 t -63.18 -40.96 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.587 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -49.06 69.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.324 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.4 m -62.98 -39.89 86.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.534 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -34.24 72.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.071 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.2 mt -77.99 -36.87 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.079 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.99 -44.04 64.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -69.0 -24.43 64.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.91 3.93 31.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.715 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -134.13 146.76 18.7 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.462 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.1 87.89 0.13 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.679 0.276 . . . . 0.0 110.975 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -61.23 -64.39 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.601 2.201 . . . . 0.0 112.139 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 77.1 mt -58.29 108.51 0.62 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.782 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -159.62 -42.45 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -52.63 -50.92 62.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 mtt-85 -63.12 -38.16 90.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.721 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.4 t -68.05 -35.91 73.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.075 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.45 -42.17 73.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.042 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.774 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -60.85 -38.84 86.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.599 179.814 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.99 -48.4 87.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.726 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.7 mttp -70.22 -39.36 75.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.867 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.429 ' CE1' ' HG3' ' A' ' 34' ' ' ARG . 1.3 t80 -65.81 -46.08 79.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.93 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.774 HG23 ' O ' ' A' ' 27' ' ' LEU . 59.6 t -68.12 -35.83 73.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.959 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -69.58 -41.85 75.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -166.18 156.95 12.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.429 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -135.64 116.76 14.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -159.33 139.75 8.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -85.15 12.55 3.04 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.724 2.283 . . . . 0.0 112.896 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -56.64 122.79 12.88 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.849 0.357 . . . . 0.0 111.014 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.402 HG23 ' N ' ' A' ' 39' ' ' ALA . 7.3 t -154.1 -46.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.402 ' N ' HG23 ' A' ' 38' ' ' THR . . . -136.32 -46.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.847 179.993 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.176 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.98 101.31 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.773 0.321 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.02 -48.65 3.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 6.7 mtt 60.32 106.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.76 -179.6 38.19 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.0 tpp180 -100.0 88.0 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.351 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -33.41 75.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -59.9 -39.87 86.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 9' ' ' LEU . 9.0 mt -60.49 -34.8 74.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.4 t -61.82 -39.81 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.401 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.512 ' HA ' HD12 ' A' ' 14' ' ' ILE . 0.2 OUTLIER -66.17 -49.27 67.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.402 -179.693 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.4 ' H ' HG22 ' A' ' 12' ' ' VAL . 3.1 m -68.11 -36.95 77.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.511 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -59.55 -33.88 71.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.173 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 11' ' ' THR . 9.8 mt -69.43 -35.67 68.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -29.53 64.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.796 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.76 -20.59 50.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.303 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.82 -17.08 60.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.399 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -119.4 45.93 1.19 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.36 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.3 mtm180 -137.93 157.63 72.82 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.704 0.288 . . . . 0.0 110.98 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -64.89 -55.66 0.48 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.646 2.231 . . . . 0.0 112.193 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 21' ' ' LEU . 3.6 mm? 65.49 11.73 7.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.509 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -133.52 -42.87 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.807 0.337 . . . . 0.0 111.067 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -56.73 -30.78 63.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -59.9 -37.41 79.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.79 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.5 t -68.09 -35.9 73.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.999 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.76 -35.84 81.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.779 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.796 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -60.86 -35.8 77.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.788 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.88 -49.84 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.018 0.437 . . . . 0.0 110.805 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -70.28 -36.13 74.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.791 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.7 -46.25 72.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.796 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 27' ' ' LEU . 48.4 t -69.02 -35.92 71.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.51 -31.15 69.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.852 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.0 m -78.2 62.2 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -153.91 65.6 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.9 tpt85 56.89 99.19 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -46.58 145.07 6.72 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.603 2.202 . . . . 0.0 112.562 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.98 124.13 19.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.8 p -123.5 92.9 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -142.11 155.55 45.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.073 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.2 p . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.935 179.958 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -130.58 93.51 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.79 0.329 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 44.7 t60 60.08 167.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.8 mtm -164.4 93.58 0.68 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.83 -86.99 0.31 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.752 ' HD2' HD12 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -88.98 138.77 31.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.806 0.336 . . . . 0.0 110.855 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.44 ' O ' HG12 ' A' ' 10' ' ' VAL . 20.8 ptt180 -71.06 -44.33 65.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.077 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.489 ' O ' HG23 ' A' ' 12' ' ' VAL . 25.0 m-85 -68.16 -40.9 82.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.17 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.752 HD12 ' HD2' ' A' ' 6' ' ' ARG . 1.8 mt -66.03 -41.37 91.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.359 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -56.91 -40.65 73.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.36 -179.653 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.8 m -63.9 -47.79 79.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.653 HG12 ' HD2' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -68.16 -37.24 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.014 -179.885 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.506 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -61.73 -40.58 95.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.984 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.0 mt -78.06 -33.04 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -72.05 -42.93 65.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.996 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.653 ' HD2' HG12 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -78.38 -44.32 25.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.048 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 13' ' ' ARG . . . -91.28 13.18 18.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.619 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -143.84 150.74 22.73 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.581 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -166.99 78.01 1.01 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 110.753 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -60.97 -66.46 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.599 2.2 . . . . 0.0 112.314 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 66.61 -72.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.864 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -94.95 -30.94 13.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.764 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -59.47 -30.26 68.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 -58.39 -37.04 74.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.8 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.6 t -66.77 -35.89 75.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.896 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.482 ' CE2' ' CE1' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -54.95 -40.03 69.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.053 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.797 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -60.91 -39.37 89.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.628 179.816 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -59.87 -48.38 87.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.636 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.28 -37.57 74.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.779 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.482 ' CE1' ' CE2' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -66.92 -46.23 75.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.781 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 27' ' ' LEU . 46.6 t -68.93 -35.86 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.933 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.7 mtp85 -58.1 -46.01 86.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.1 t -152.76 132.61 13.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.945 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -177.33 -40.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.431 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -157.57 63.62 2.9 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.895 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.431 ' HD3' ' N ' ' A' ' 35' ' ' ARG . 29.2 Cg_exo -61.85 124.81 15.21 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.58 2.187 . . . . 0.0 112.298 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.401 ' C ' ' HG1' ' A' ' 38' ' ' THR . 7.0 ttm180 61.12 114.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.977 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.401 ' HG1' ' C ' ' A' ' 37' ' ' ARG . 2.2 m -162.74 -47.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.35 -34.71 74.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 79.0 p . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.898 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 p 53.96 77.35 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.838 0.351 . . . . 0.0 111.066 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -105.82 -64.07 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 11.8 tpt -114.44 96.75 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.89 -114.62 0.15 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.452 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -151.66 24.42 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.741 0.305 . . . . 0.0 111.06 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.426 ' O ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -71.06 -39.22 72.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.901 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -68.03 -37.04 80.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 9' ' ' LEU . 8.3 mt -66.01 -34.9 79.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.106 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.426 HG12 ' O ' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -61.67 -40.23 85.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.364 -179.734 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.442 ' O ' HG13 ' A' ' 14' ' ' ILE . 5.0 m -65.43 -47.54 75.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.407 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.7 m -68.45 -39.93 81.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.682 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -63.45 -42.67 98.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.839 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 11' ' ' THR . 1.8 pp -78.25 -34.1 18.34 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-O 120.775 0.322 . . . . 0.0 111.297 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -72.17 -31.84 66.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -77.15 -20.99 54.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.199 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.93 -17.1 60.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.411 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.5 -127.4 8.01 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.494 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.9 mtt85 -123.01 79.46 51.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.749 0.309 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -66.22 -54.69 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.658 2.238 . . . . 0.0 112.129 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.96 115.43 4.4 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.968 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -178.61 -47.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.28 -36.62 84.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.691 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -66.11 -36.83 84.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.845 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.7 t -62.17 -35.88 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.108 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.83 -38.99 92.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.804 ' O ' HG23 ' A' ' 31' ' ' VAL . 5.3 mp -60.9 -36.49 79.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.659 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -59.98 -50.09 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.79 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -36.24 74.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.785 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.24 -46.26 74.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.827 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.804 HG23 ' O ' ' A' ' 27' ' ' LEU . 61.6 t -67.11 -35.93 75.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.941 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.7 -39.41 84.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.793 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 t -120.85 62.12 0.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.806 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.9 mtp-105 -71.49 164.22 26.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.42 103.96 25.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -48.95 110.46 0.35 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.523 2.148 . . . . 0.0 112.405 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 37.5 ttt-85 -119.7 -64.74 1.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.7 -50.77 10.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 65.47 -77.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.061 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.864 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -88.23 -48.33 7.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -66.58 87.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.87 155.62 18.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 136.15 -153.81 21.67 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.702 ' O ' HG23 ' A' ' 10' ' ' VAL . 24.2 ttt180 68.69 -67.4 0.21 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.782 0.325 . . . . 0.0 110.916 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 -69.78 -48.1 60.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.665 ' O ' HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -61.23 -33.0 72.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.758 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 9' ' ' LEU . 1.8 mt -65.63 -34.64 78.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.137 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 6' ' ' ARG . 44.5 t -67.15 -38.73 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.395 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.9 m -66.1 -49.3 68.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.54 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 8' ' ' PHE . 0.8 OUTLIER -66.43 -36.64 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.557 -179.696 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.63 -34.81 73.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.034 -179.765 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.1 mt -74.36 -35.33 39.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.917 0.389 . . . . 0.0 110.988 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -71.94 -38.74 69.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.802 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 26.7 mmt85 -80.05 -21.43 43.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.216 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.92 -17.12 60.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.528 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.65 -105.84 2.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.493 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.06 154.26 40.49 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.663 0.268 . . . . 0.0 110.999 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_exo -60.66 -65.17 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.496 2.131 . . . . 0.0 112.236 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -178.57 -68.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.967 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -132.73 7.56 4.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.51 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.37 -40.37 93.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.822 0.344 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.651 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -66.02 -36.95 84.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.18 -38.23 80.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -40.19 93.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.732 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.786 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.66 179.802 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 24' ' ' ARG . 28.4 t -59.93 -46.67 93.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.647 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -70.25 -41.31 73.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.778 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -46.21 83.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.804 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 27' ' ' LEU . 61.3 t -66.91 -35.97 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.018 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -70.74 -40.21 72.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.3 t -59.67 91.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.02 86.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -160.07 125.86 2.34 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.59 164.36 2.22 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.406 2.071 . . . . 0.0 112.249 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -161.53 31.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.41 -47.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -116.43 152.52 33.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.907 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 m -59.96 -173.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.804 0.335 . . . . 0.0 110.848 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -177.46 -39.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.6 mmm -101.64 137.06 40.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.996 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.24 86.11 0.24 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.318 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -172.07 -33.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.694 0.283 . . . . 0.0 111.209 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -58.64 -31.94 68.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.039 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.702 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.9 t80 -58.95 -39.79 82.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.675 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 mt -66.1 -34.49 78.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.783 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.1 t -65.06 -40.72 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.514 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -49.59 67.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.32 . . . . 0.0 111.338 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.702 HG22 ' O ' ' A' ' 8' ' ' PHE . 1.1 m -68.31 -36.85 76.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.35 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.4 ttp85 -59.81 -36.85 77.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.0 mt -73.1 -31.97 37.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.971 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -68.94 -29.55 67.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -79.46 -23.7 42.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.09 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.84 13.07 15.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.595 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -99.27 -97.58 2.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.4 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -147.62 105.58 3.73 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.587 0.232 . . . . 0.0 110.806 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -59.51 -66.83 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.356 2.037 . . . . 0.0 112.18 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 66.88 11.08 8.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.523 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -85.19 -35.47 21.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.334 . . . . 0.0 111.067 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -63.72 -34.02 76.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.454 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.8 OUTLIER -66.27 -36.88 84.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.881 179.854 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.1 t -61.81 -36.07 71.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.163 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -59.92 -44.04 94.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.805 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -60.93 -37.36 82.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.468 179.8 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 24' ' ' ARG . 21.1 t -59.96 -48.21 88.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.685 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -37.77 74.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.742 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -46.17 75.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.799 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 27' ' ' LEU . 59.7 t -66.04 -35.85 76.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -56.95 -31.01 64.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.788 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.0 t -108.03 175.37 5.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.699 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.42 -66.61 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.2 ttt85 -159.58 98.02 1.56 Allowed Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.959 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.8 -174.51 0.74 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.445 2.097 . . . . 0.0 112.239 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -38.62 90.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.403 HG23 ' N ' ' A' ' 39' ' ' ALA . 4.3 t -157.43 -48.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.403 ' N ' HG23 ' A' ' 38' ' ' THR . . . -144.73 169.22 18.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.927 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.233 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 m -114.74 65.65 0.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.876 0.369 . . . . 0.0 110.959 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 70.15 -63.95 0.38 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.8 mmt -48.77 135.56 14.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.237 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.4 45.77 0.57 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.478 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.55 ' O ' HG23 ' A' ' 10' ' ' VAL . 17.9 ttt85 -58.49 127.38 31.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 0.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -64.72 -41.15 96.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.807 ' O ' HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -57.97 -45.06 87.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.003 -179.9 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.426 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 1.2 mt -57.95 -34.67 70.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.068 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 6' ' ' ARG . 47.9 t -63.95 -46.54 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.694 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.07 -49.32 68.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.802 0.334 . . . . 0.0 111.826 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.807 HG22 ' O ' ' A' ' 8' ' ' PHE . 1.1 m -63.18 -36.51 76.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.733 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -33.93 71.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.242 -179.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.422 HG12 ' O ' ' A' ' 10' ' ' VAL . 34.1 mm -62.76 -40.62 89.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.925 0.393 . . . . 0.0 110.943 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.706 ' HG2' HD11 ' A' ' 27' ' ' LEU . 3.7 mp0 -72.08 -31.78 66.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.2 mtt-85 -64.97 -16.47 63.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.201 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.91 -17.08 60.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.428 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.75 170.29 12.17 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.49 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.73 97.71 46.24 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.595 0.236 . . . . 0.0 110.811 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -59.48 -65.32 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.462 2.108 . . . . 0.0 112.252 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 pp -178.22 -38.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.03 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.95 -31.19 25.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.962 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.68 -31.98 72.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.993 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -41.97 98.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.991 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.11 -35.91 73.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.123 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.71 -39.13 93.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.986 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.786 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.0 OUTLIER -60.88 -38.58 86.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.769 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.3 t -59.93 -48.11 89.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.792 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.29 -39.23 74.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.942 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -46.3 79.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 27' ' ' LEU . 60.9 t -66.62 -35.8 75.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -29.0 68.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 p -98.44 -35.71 10.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.054 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.25 77.45 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.34 113.06 9.96 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -72.67 61.63 3.66 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.428 2.085 . . . . 0.0 112.299 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -152.81 148.42 27.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.2 p -86.63 170.95 11.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.02 -178.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.8 p . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.927 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t 60.68 39.37 17.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -106.27 -26.92 11.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.005 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 37.2 mtp 64.84 155.53 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 145.09 -168.63 27.0 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.545 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.78 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.3 OUTLIER -93.65 47.47 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 110.846 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.5 ttt-85 -59.67 -38.67 82.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.029 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.799 ' O ' HG22 ' A' ' 12' ' ' VAL . 53.3 p90 -64.07 -45.06 90.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 9' ' ' LEU . 2.2 mt -62.11 -34.81 77.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 6' ' ' ARG . 46.6 t -68.21 -40.55 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.275 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -66.03 -49.23 68.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.302 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.799 HG22 ' O ' ' A' ' 8' ' ' PHE . 1.7 m -68.13 -37.0 77.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.461 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 mtp-105 -59.95 -40.4 88.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.067 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.5 mt -77.99 -32.0 17.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -68.0 -32.59 73.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -80.03 -32.85 39.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.0 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.38 -17.08 37.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.456 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.8 172.57 53.26 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.462 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.425 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 1.4 mtt85 -59.32 171.37 0.76 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.621 0.248 . . . . 0.0 110.709 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' A' ' 19' ' ' ARG . 28.0 Cg_exo -61.36 -65.15 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.462 2.108 . . . . 0.0 112.412 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.65 -40.8 0.55 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.469 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -45.95 -29.36 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.547 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -36.1 71.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.248 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -58.03 -41.04 82.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.344 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.02 -41.84 84.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.975 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -63.56 -35.75 81.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.626 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.829 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -60.81 -34.85 75.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.71 179.847 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.67 -49.82 82.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.744 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -70.34 -35.86 73.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.715 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.5 -46.18 73.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.846 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 27' ' ' LEU . 58.8 t -65.16 -35.92 76.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -63.43 -30.61 71.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.63 121.61 31.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -154.23 121.03 5.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.82 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.19 90.67 5.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.949 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -68.7 164.88 31.51 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.495 2.13 . . . . 0.0 112.325 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.24 62.53 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.1 p 56.64 -171.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -161.23 -47.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.052 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.1 p . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.9 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 112.534 -0.227 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.79 -41.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -88.0 88.12 7.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -98.63 150.99 21.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 157.01 137.16 2.25 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.469 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -100.4 -49.81 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -62.45 -37.77 87.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.785 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.3 m-85 -59.96 -38.12 81.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 9' ' ' LEU . 4.3 mt -58.67 -34.8 71.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.6 t -64.89 -43.86 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.485 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.04 -49.32 68.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.4 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.785 HG22 ' O ' ' A' ' 8' ' ' PHE . 1.3 m -68.16 -36.85 76.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.499 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 -59.79 -35.14 74.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.019 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.5 mt -78.02 -32.32 17.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.065 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -62.44 -37.55 86.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.969 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -25.41 65.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.89 -17.19 60.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.503 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -139.67 33.63 2.11 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.468 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.7 mtt-85 61.55 152.93 0.11 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.656 0.265 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -62.47 -66.91 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.554 2.169 . . . . 0.0 112.216 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.4 mp 61.02 -82.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.059 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -69.95 -36.01 74.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.932 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -63.25 -37.04 85.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.962 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.695 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.4 mtt180 -62.11 -36.88 83.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.9 t -58.18 -36.01 55.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.115 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -45.91 81.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.804 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -60.84 -36.41 79.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.529 179.817 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 24' ' ' ARG . 32.3 t -60.6 -47.43 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.124 0.487 . . . . 0.0 110.396 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.17 -42.67 68.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.783 179.388 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -46.6 88.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.104 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.804 HG22 ' O ' ' A' ' 27' ' ' LEU . 19.4 m -67.16 -43.59 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 CA-C-O 120.872 0.368 . . . . 0.0 111.119 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.436 ' N ' HG23 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -59.92 -39.62 86.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.816 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 t -84.36 77.53 9.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -138.11 -46.23 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -74.91 148.65 84.89 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.91 -61.65 0.45 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.591 2.194 . . . . 0.0 112.328 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -76.04 155.45 34.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.6 m -139.97 76.1 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.57 -69.12 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.2 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 p -76.08 157.23 33.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 61.2 32.63 19.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.1 ttp 60.67 158.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.82 -166.58 14.55 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.493 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? 63.11 124.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.864 0.364 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.96 -31.8 72.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -58.35 -36.95 74.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 mt -62.64 -34.91 78.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.802 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.5 t -63.9 -34.12 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.225 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.13 -47.56 73.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.304 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.9 m -68.02 -38.7 80.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.431 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -42.18 92.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.355 -179.559 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.0 pt -74.07 -31.9 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.317 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -63.85 -32.23 73.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.7 mtt-85 -78.37 -23.22 46.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.57 13.12 16.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.55 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -109.08 -120.1 4.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.4 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.59 86.55 7.31 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.708 0.29 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -62.73 -59.56 0.24 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.618 2.212 . . . . 0.0 112.105 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 66.77 -80.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -88.31 -33.58 17.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -58.98 -27.85 65.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.056 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.16 -43.57 91.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.087 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.9 t -67.99 -37.09 77.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.132 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -60.07 -35.84 76.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.025 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.798 ' O ' HG23 ' A' ' 31' ' ' VAL . 2.4 tp -60.8 -38.06 84.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.773 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.4 t -60.0 -50.69 79.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.776 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -35.83 74.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.818 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -66.78 -46.37 75.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 27' ' ' LEU . 62.0 t -66.17 -35.86 76.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.99 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.3 -38.41 78.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 97.2 p -101.75 85.38 2.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.84 172.15 13.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.78 99.79 44.23 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -67.0 126.59 15.43 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.417 2.078 . . . . 0.0 112.237 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.76 116.34 18.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.9 p -112.43 132.49 55.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.98 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.82 30.48 3.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.066 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 p -173.22 -177.66 1.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.841 0.353 . . . . 0.0 110.841 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -154.75 -46.31 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.08 42.8 1.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 142.19 172.86 13.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.21 27.59 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.746 0.308 . . . . 0.0 110.983 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -37.54 72.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.79 ' O ' HG22 ' A' ' 12' ' ' VAL . 18.1 m-85 -63.6 -39.48 94.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.41 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 1.2 mt -57.98 -34.54 70.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.108 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.9 t -66.97 -43.53 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.444 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.5 m -66.16 -49.29 67.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.626 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.79 HG22 ' O ' ' A' ' 8' ' ' PHE . 0.8 OUTLIER -61.98 -36.41 73.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.595 -179.625 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -33.95 71.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.257 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 28.6 mm -66.58 -32.02 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.795 0.331 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -68.16 -26.69 65.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -16.99 61.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.342 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.76 13.12 13.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.709 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.42 145.38 18.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.509 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? 60.6 66.42 1.83 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.788 0.328 . . . . 0.0 111.055 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.51 -65.23 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.651 2.234 . . . . 0.0 112.305 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.422 HD11 ' NH1' ' A' ' 24' ' ' ARG . 2.7 tp -102.8 -26.87 12.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.022 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -59.62 -19.22 47.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.333 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.01 -30.81 71.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.707 0.289 . . . . 0.0 111.16 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.422 ' NH1' HD11 ' A' ' 21' ' ' LEU . 40.0 mtp180 -66.14 -45.51 80.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.378 . . . . 0.0 111.35 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.0 m -68.44 -40.92 82.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.251 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -58.66 -35.92 73.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.038 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.772 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -60.65 -39.42 88.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.8 -179.892 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.7 t -60.13 -50.21 81.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.749 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -70.28 -37.8 74.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.0 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.441 ' CD1' ' HD3' ' A' ' 34' ' ' ARG . 2.5 m-85 -65.76 -46.33 79.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.976 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 27' ' ' LEU . 47.5 t -69.22 -35.87 70.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.045 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -70.14 -37.03 75.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.103 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.4 p -112.72 -166.72 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.055 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.441 ' HD3' ' CD1' ' A' ' 30' ' ' PHE . 0.6 OUTLIER 61.25 -179.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.979 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.1 ttm-85 57.41 72.43 0.93 Allowed Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.96 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -73.5 132.79 18.02 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.608 2.205 . . . . 0.0 112.253 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -166.18 -66.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.22 156.66 16.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.85 -177.49 5.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.7 m . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.893 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.155 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 t 60.3 82.45 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.2 p-80 -99.45 136.71 39.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 14.2 ttt -107.0 128.89 54.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -105.15 -170.76 24.08 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -111.67 103.42 11.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.372 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.8 ttm-85 -68.53 -36.55 79.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.907 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -60.66 -39.89 90.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.93 -35.81 71.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.116 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.0 t -69.25 -44.14 80.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.431 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.2 m -66.1 -49.19 68.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.526 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.907 HG22 ' O ' ' A' ' 8' ' ' PHE . 2.6 m -61.4 -38.41 79.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.376 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -35.52 75.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.7 mt -78.03 -33.85 18.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.045 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -72.01 -31.52 66.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.828 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.8 mtt-85 -79.44 -26.03 41.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.96 -17.14 60.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.332 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.62 -52.4 7.33 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.318 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -105.12 154.55 38.72 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.65 0.262 . . . . 0.0 110.78 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.2 -68.1 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.444 2.096 . . . . 0.0 112.231 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 65.78 10.86 7.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.539 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -77.02 -25.08 52.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.697 0.284 . . . . 0.0 111.071 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -53.94 -38.53 65.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.411 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -66.0 -36.97 84.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.59 -36.01 76.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.136 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.23 -42.31 94.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.781 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.5 tp -60.91 -38.13 84.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.6 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 24' ' ' ARG . 21.2 t -59.96 -47.76 90.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.741 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -70.29 -38.56 75.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.814 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.87 -46.13 75.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.791 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 27' ' ' LEU . 52.2 t -68.71 -35.83 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 -58.67 -45.97 88.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.0 t -139.84 123.03 16.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.31 -39.72 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.272 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -95.54 109.64 46.69 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.832 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -57.08 166.0 4.61 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.444 2.096 . . . . 0.0 112.216 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.19 173.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.1 t 43.17 75.6 0.09 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.445 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -148.19 -69.23 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.5 p . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.893 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.142 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -134.07 88.46 2.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.891 0.377 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 43.1 p-80 -60.57 147.35 41.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.0 mtt -81.16 -36.21 30.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -148.92 -50.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.551 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -145.25 160.84 40.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.898 0.38 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.417 ' O ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -62.6 -48.03 81.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.58 ' O ' HG22 ' A' ' 12' ' ' VAL . 14.3 m-85 -65.39 -33.36 75.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.819 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 9' ' ' LEU . 1.5 mt -60.88 -34.64 74.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.014 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.51 ' O ' HG23 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -66.08 -39.71 85.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.434 -179.728 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.44 ' O ' HG13 ' A' ' 14' ' ' ILE . 16.3 m -65.95 -47.58 74.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.775 -179.36 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.58 HG22 ' O ' ' A' ' 8' ' ' PHE . 0.7 OUTLIER -68.31 -36.9 76.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.811 -179.442 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -70.12 -42.51 72.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.735 -179.426 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.768 HD12 ' N ' ' A' ' 15' ' ' GLN . 2.7 pp -71.67 -31.9 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.364 -179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.768 ' N ' HD12 ' A' ' 14' ' ' ILE . 2.3 mt-30 -63.36 -29.62 70.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -59.44 -30.82 68.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.34 13.04 18.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.48 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -84.62 -99.57 0.64 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.441 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.59 74.95 11.34 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -61.57 -63.4 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.652 2.234 . . . . 0.0 112.207 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 68.94 -69.55 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -110.61 -30.86 7.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.959 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -61.07 -34.59 75.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.6 ' O ' HG23 ' A' ' 28' ' ' VAL . 11.6 mtt-85 -64.27 -43.22 95.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.07 -36.06 73.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.2 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.64 -42.5 98.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.753 ' O ' HG23 ' A' ' 31' ' ' VAL . 3.9 mp -60.87 -41.59 96.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.624 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 24' ' ' ARG . 20.8 t -60.05 -46.6 94.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.783 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.33 -41.07 73.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.892 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.5 -46.17 80.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.812 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 27' ' ' LEU . 53.4 t -68.88 -35.83 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -30.59 71.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.7 m -92.22 -33.32 14.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.96 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -119.16 89.28 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.83 112.86 15.81 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.18 -36.56 93.49 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.42 2.08 . . . . 0.0 112.299 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -96.47 105.76 17.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.97 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.2 p 55.11 -168.84 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 61.52 36.83 16.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.089 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.924 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 t -171.25 119.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.341 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -113.95 -169.53 1.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 7.1 ttp -82.44 112.39 19.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 165.91 -147.08 11.71 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.51 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.82 32.04 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -68.36 -41.34 80.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -61.17 -35.78 78.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 mt -60.71 -34.76 74.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.944 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.412 ' O ' HG12 ' A' ' 14' ' ' ILE . 47.9 t -62.16 -36.07 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.324 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 48.1 m -66.19 -49.16 68.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.472 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 m -63.76 -37.62 80.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.715 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -34.05 72.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.186 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 10' ' ' VAL . 18.8 mm -72.57 -31.92 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.927 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -59.79 -31.93 70.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -76.55 -28.22 56.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.94 -17.08 60.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.418 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.64 -161.37 21.21 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.483 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 58.4 mtm-85 -78.89 163.64 59.42 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.763 0.316 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -61.08 -66.14 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.625 2.216 . . . . 0.0 112.218 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER 68.53 9.94 7.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.472 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -116.16 -2.62 12.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.416 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 24' ' ' ARG . 5.5 pm0 -56.7 -31.68 64.71 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.822 0.344 . . . . 0.0 111.083 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.411 ' N ' ' HG2' ' A' ' 23' ' ' GLU . 12.2 mtp85 -64.06 -44.93 90.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 t -68.08 -36.02 73.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.131 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.26 -37.19 86.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.792 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.9 mp -60.95 -36.49 79.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.723 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -59.91 -49.54 83.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.81 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -70.32 -37.82 74.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.866 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -46.32 77.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 27' ' ' LEU . 59.6 t -66.06 -35.84 76.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.885 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -32.09 72.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.805 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.0 t -140.01 105.31 5.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.0 mtt-85 -85.73 -79.0 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -120.8 121.19 29.09 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.944 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.03 -26.7 51.1 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.484 2.123 . . . . 0.0 112.32 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.26 152.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.838 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.424 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 91.0 m -91.13 -80.72 0.33 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 38' ' ' THR . . . 177.42 -73.71 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.82 0.343 . . . . 0.0 111.052 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.0 t . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.205 -0.903 . . . . 0.0 110.949 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.437 ' O ' HG12 ' A' ' 10' ' ' VAL . 17.6 mmt85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.817 0.341 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -68.08 -36.22 79.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.026 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 9' ' ' LEU . 5.5 mt -66.03 -34.9 79.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.072 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.437 HG12 ' O ' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -60.89 -40.59 85.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.34 -179.661 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 m -64.55 -49.11 72.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.506 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.4 m -64.08 -38.97 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.437 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 ttt-85 -59.58 -34.1 72.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.129 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.4 mt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.035 179.875 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.3 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.858 0.361 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -66.66 -40.09 88.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.695 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.773 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -61.04 -38.14 85.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.608 179.734 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -59.92 -48.13 88.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.808 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -70.25 -38.28 75.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.824 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -66.95 -46.15 75.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.752 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 27' ' ' LEU . 52.0 t -68.58 -35.89 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.975 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.831 0.348 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -62.41 -32.93 73.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 mt -63.36 -34.81 78.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.94 -37.19 71.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.31 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 m -66.11 -49.05 68.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.283 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.4 m -68.07 -38.36 79.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.505 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -34.01 72.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.11 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.2 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.982 179.809 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.9 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.829 0.347 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -62.39 -39.8 94.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.801 ' O ' HG23 ' A' ' 31' ' ' VAL . 2.2 mm? -60.95 -37.01 80.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.571 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 32.5 t -59.94 -49.93 82.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.707 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -70.25 -35.47 73.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.811 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -68.23 -46.29 70.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.828 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 27' ' ' LEU . 46.5 t -69.03 -35.89 71.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.867 0.365 . . . . 0.0 110.764 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -32.74 74.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.824 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.414 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 2.6 mt -57.73 -34.56 69.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.024 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.8 t -60.58 -41.83 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.442 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.0 m -66.19 -49.45 67.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.583 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.414 ' CG2' ' HA ' ' A' ' 9' ' ' LEU . 2.7 m -68.19 -36.98 77.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.48 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -59.64 -36.05 75.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.01 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.3 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.945 179.782 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.2 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.831 0.348 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -65.44 -35.99 82.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.708 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.81 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -61.03 -36.44 79.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.727 179.852 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.83 -49.86 82.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.805 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -36.89 74.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.859 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.87 -46.26 75.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.844 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 27' ' ' LEU . 59.7 t -66.06 -35.92 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.86 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.491 ' O ' HG12 ' A' ' 10' ' ' VAL . 5.1 mtt180 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.812 0.339 . . . . 0.0 110.824 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.2 -37.6 81.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.994 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 9' ' ' LEU . 8.7 mt -66.04 -35.01 79.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.187 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -57.15 -40.59 74.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.454 -179.708 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.1 m -65.55 -49.16 69.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.624 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 m -66.74 -38.7 82.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.722 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -34.54 72.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.205 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.01 179.925 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.842 0.353 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.87 -37.87 88.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.75 ' O ' HG23 ' A' ' 31' ' ' VAL . 2.8 mm? -60.97 -37.27 81.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.767 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.87 -47.71 90.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -70.14 -39.32 75.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.818 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.78 -46.19 76.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.762 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 27' ' ' LEU . 53.9 t -69.07 -35.72 70.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.983 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.82 0.343 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.802 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.5 t80 -61.78 -44.64 96.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 mt -58.28 -34.73 70.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.9 t -66.13 -43.34 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.414 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.08 -49.16 68.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 111.423 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.802 HG22 ' O ' ' A' ' 8' ' ' PHE . 1.4 m -67.28 -36.62 77.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.567 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.6 -39.01 82.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.153 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.7 mm . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.958 179.881 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.805 0.336 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -62.36 -41.76 98.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.785 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -60.98 -37.27 81.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.451 179.698 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.86 -49.99 81.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.74 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -70.31 -36.62 74.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.801 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.86 -46.21 75.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.863 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' ' 27' ' ' LEU . 62.1 t -66.81 -35.87 75.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.967 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.5 mtt85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.802 0.334 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.0 -36.16 76.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.815 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 9' ' ' LEU . 2.6 mt -66.04 -34.79 78.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.594 HG12 HD11 ' A' ' 14' ' ' ILE . 48.6 t -60.81 -33.83 56.82 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.353 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.8 m -61.72 -49.25 77.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.52 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.1 m -68.12 -38.15 79.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.482 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -59.55 -34.0 72.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.119 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.594 HD11 HG12 ' A' ' 10' ' ' VAL . 7.9 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.972 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.2 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.853 0.358 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.9 -39.66 90.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.751 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.761 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -61.0 -38.02 84.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.611 179.862 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.6 t -60.37 -49.27 84.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.761 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -70.36 -38.52 74.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.902 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -65.72 -46.21 79.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 27' ' ' LEU . 58.9 t -69.05 -36.44 73.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.998 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.979 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.74 0.305 . . . . 0.0 111.286 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.425 ' CD1' ' N ' ' A' ' 9' ' ' LEU . 15.5 p90 -58.86 -32.87 69.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.146 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.425 ' N ' ' CD1' ' A' ' 8' ' ' PHE . 1.4 mt -60.14 -34.94 74.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.018 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.0 t -63.18 -40.96 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.587 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -49.06 69.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.324 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.4 m -62.98 -39.89 86.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.534 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -34.24 72.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.071 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.2 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.079 179.892 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.4 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.86 0.362 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.45 -42.17 73.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.042 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.774 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -60.85 -38.84 86.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.599 179.814 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.99 -48.4 87.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.726 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.7 mttp -70.22 -39.36 75.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.867 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -65.81 -46.08 79.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.93 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.774 HG23 ' O ' ' A' ' 27' ' ' LEU . 59.6 t -68.12 -35.83 73.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.959 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.835 0.35 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -59.9 -39.87 86.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 9' ' ' LEU . 9.0 mt -60.49 -34.8 74.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.4 t -61.82 -39.81 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.401 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.512 ' HA ' HD12 ' A' ' 14' ' ' ILE . 0.2 OUTLIER -66.17 -49.27 67.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.402 -179.693 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.4 ' H ' HG22 ' A' ' 12' ' ' VAL . 3.1 m -68.11 -36.95 77.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.511 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -59.55 -33.88 71.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.173 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 11' ' ' THR . 9.8 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.5 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.903 0.383 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.76 -35.84 81.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.779 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.796 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -60.86 -35.8 77.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.788 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.88 -49.84 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.018 0.437 . . . . 0.0 110.805 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -70.28 -36.13 74.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.791 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.7 -46.25 72.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.796 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 27' ' ' LEU . 48.4 t -69.02 -35.92 71.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.852 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.44 ' O ' HG12 ' A' ' 10' ' ' VAL . 20.8 ptt180 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.774 0.321 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.489 ' O ' HG23 ' A' ' 12' ' ' VAL . 25.0 m-85 -68.16 -40.9 82.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.17 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 mt -66.03 -41.37 91.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.359 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -56.91 -40.65 73.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.36 -179.653 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.8 m -63.9 -47.79 79.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -68.16 -37.24 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.014 -179.885 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -40.58 95.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.0 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.103 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.6 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.893 0.378 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.482 ' CE2' ' CE1' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -54.95 -40.03 69.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.053 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.797 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -60.91 -39.37 89.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.628 179.816 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -59.87 -48.38 87.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.636 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.28 -37.57 74.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.779 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.482 ' CE1' ' CE2' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -66.92 -46.23 75.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.781 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 27' ' ' LEU . 46.6 t -68.93 -35.86 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.933 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.7 mtp85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.967 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.426 ' O ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.854 0.359 . . . . 0.0 110.901 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -68.03 -37.04 80.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 9' ' ' LEU . 8.3 mt -66.01 -34.9 79.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.106 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.426 HG12 ' O ' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -61.67 -40.23 85.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.364 -179.734 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.442 ' O ' HG13 ' A' ' 14' ' ' ILE . 5.0 m -65.43 -47.54 75.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.407 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.7 m -68.45 -39.93 81.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.682 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -63.45 -42.67 98.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.839 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 11' ' ' THR . 1.8 pp . . . . . 0 N--CA 1.449 -0.499 0 CA-C-O 120.775 0.322 . . . . 0.0 111.297 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.7 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.793 0.33 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.83 -38.99 92.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.804 ' O ' HG23 ' A' ' 31' ' ' VAL . 5.3 mp -60.9 -36.49 79.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.659 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -59.98 -50.09 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.79 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -36.24 74.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.785 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.24 -46.26 74.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.827 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.804 HG23 ' O ' ' A' ' 27' ' ' LEU . 61.6 t -67.11 -35.93 75.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.941 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.793 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.795 0.331 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.665 ' O ' HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -61.23 -33.0 72.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.758 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 9' ' ' LEU . 1.8 mt -65.63 -34.64 78.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.137 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.5 t -67.15 -38.73 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.395 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.9 m -66.1 -49.3 68.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.54 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 8' ' ' PHE . 0.8 OUTLIER -66.43 -36.64 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.557 -179.696 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.63 -34.81 73.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.034 -179.765 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.1 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.917 0.389 . . . . 0.0 110.988 179.933 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.92 0.391 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -40.19 93.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.732 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.786 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.66 179.802 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.4 t -59.93 -46.67 93.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.647 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -70.25 -41.31 73.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.778 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -46.21 83.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.804 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 27' ' ' LEU . 61.3 t -66.91 -35.97 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.018 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 179.951 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.775 0.321 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.702 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.9 t80 -58.95 -39.79 82.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.675 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 mt -66.1 -34.49 78.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.783 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.1 t -65.06 -40.72 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.514 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -49.59 67.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.32 . . . . 0.0 111.338 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.702 HG22 ' O ' ' A' ' 8' ' ' PHE . 1.1 m -68.31 -36.85 76.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.35 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.4 ttp85 -59.81 -36.85 77.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.0 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.971 179.922 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.1 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.797 0.332 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -59.92 -44.04 94.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.805 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -60.93 -37.36 82.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.468 179.8 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.1 t -59.96 -48.21 88.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.685 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -37.77 74.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.742 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -46.17 75.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.799 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 27' ' ' LEU . 59.7 t -66.04 -35.85 76.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.788 179.885 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.795 0.331 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.807 ' O ' HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -57.97 -45.06 87.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.003 -179.9 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.426 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 1.2 mt -57.95 -34.67 70.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.068 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.422 ' O ' HG12 ' A' ' 14' ' ' ILE . 47.9 t -63.95 -46.54 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.694 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.07 -49.32 68.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.802 0.334 . . . . 0.0 111.826 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.807 HG22 ' O ' ' A' ' 8' ' ' PHE . 1.1 m -63.18 -36.51 76.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.733 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -33.93 71.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.242 -179.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.422 HG12 ' O ' ' A' ' 10' ' ' VAL . 34.1 mm . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.925 0.393 . . . . 0.0 110.943 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.83 0.348 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.71 -39.13 93.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.986 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.786 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.0 OUTLIER -60.88 -38.58 86.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.769 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.3 t -59.93 -48.11 89.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.792 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.29 -39.23 74.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.942 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -46.3 79.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 27' ' ' LEU . 60.9 t -66.62 -35.8 75.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.5 ttt-85 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.846 0.355 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.799 ' O ' HG22 ' A' ' 12' ' ' VAL . 53.3 p90 -64.07 -45.06 90.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 9' ' ' LEU . 2.2 mt -62.11 -34.81 77.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.6 t -68.21 -40.55 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.275 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -66.03 -49.23 68.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.302 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.799 HG22 ' O ' ' A' ' 8' ' ' PHE . 1.7 m -68.13 -37.0 77.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.461 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 mtp-105 -59.95 -40.4 88.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.067 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.5 mt . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.922 0.391 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -63.56 -35.75 81.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.626 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.829 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -60.81 -34.85 75.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.71 179.847 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.67 -49.82 82.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.744 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -70.34 -35.86 73.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.715 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.5 -46.18 73.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.846 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 27' ' ' LEU . 58.8 t -65.16 -35.92 76.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.801 0.334 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.785 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.3 m-85 -59.96 -38.12 81.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 9' ' ' LEU . 4.3 mt -58.67 -34.8 71.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.6 t -64.89 -43.86 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.485 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.04 -49.32 68.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.4 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.785 HG22 ' O ' ' A' ' 8' ' ' PHE . 1.3 m -68.16 -36.85 76.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.499 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 -59.79 -35.14 74.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.019 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.5 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.065 179.904 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.853 0.358 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -45.91 81.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.804 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -60.84 -36.41 79.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.529 179.817 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 32.3 t -60.6 -47.43 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.124 0.487 . . . . 0.0 110.396 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.17 -42.67 68.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.783 179.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -46.6 88.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.104 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.804 HG22 ' O ' ' A' ' 27' ' ' LEU . 19.4 m -67.16 -43.59 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 CA-C-O 120.872 0.368 . . . . 0.0 111.119 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.436 ' N ' HG23 ' A' ' 31' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.816 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.76 0.314 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -58.35 -36.95 74.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 mt -62.64 -34.91 78.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.802 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.5 t -63.9 -34.12 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.225 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.13 -47.56 73.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.304 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.9 m -68.02 -38.7 80.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.431 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -42.18 92.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.355 -179.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.0 pt . . . . . 0 N--CA 1.449 -0.499 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.317 -179.83 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.9 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.87 0.366 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -60.07 -35.84 76.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.025 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.798 ' O ' HG23 ' A' ' 31' ' ' VAL . 2.4 tp -60.8 -38.06 84.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.773 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.4 t -60.0 -50.69 79.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.776 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -35.83 74.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.818 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -66.78 -46.37 75.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 27' ' ' LEU . 62.0 t -66.17 -35.86 76.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.99 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.788 0.328 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.79 ' O ' HG22 ' A' ' 12' ' ' VAL . 18.1 m-85 -63.6 -39.48 94.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.41 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 1.2 mt -57.98 -34.54 70.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.108 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.9 t -66.97 -43.53 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.444 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.5 m -66.16 -49.29 67.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.626 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.79 HG22 ' O ' ' A' ' 8' ' ' PHE . 0.8 OUTLIER -61.98 -36.41 73.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.595 -179.625 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -33.95 71.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.257 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 28.6 mm . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.795 0.331 . . . . 0.0 110.983 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.0 m . . . . . 0 N--CA 1.454 -0.238 0 CA-C-O 120.946 0.403 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -58.66 -35.92 73.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.038 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.772 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -60.65 -39.42 88.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.8 -179.892 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.7 t -60.13 -50.21 81.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.749 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -70.28 -37.8 74.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.0 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -65.76 -46.33 79.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.976 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 27' ' ' LEU . 47.5 t -69.22 -35.87 70.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.045 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.103 -179.825 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.8 ttm-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.814 0.34 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.907 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -60.66 -39.89 90.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.93 -35.81 71.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.116 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.0 t -69.25 -44.14 80.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.431 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.2 m -66.1 -49.19 68.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.526 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.907 HG22 ' O ' ' A' ' 8' ' ' PHE . 2.6 m -61.4 -38.41 79.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.376 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -35.52 75.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.7 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.045 179.908 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.848 0.356 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.23 -42.31 94.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.781 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.5 tp -60.91 -38.13 84.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.6 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -59.96 -47.76 90.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.741 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -70.29 -38.56 75.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.814 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.87 -46.13 75.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.791 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 27' ' ' LEU . 52.2 t -68.71 -35.83 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.417 ' O ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.837 0.351 . . . . 0.0 110.884 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.58 ' O ' HG22 ' A' ' 12' ' ' VAL . 14.3 m-85 -65.39 -33.36 75.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.819 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 9' ' ' LEU . 1.5 mt -60.88 -34.64 74.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.014 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.51 ' O ' HG23 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -66.08 -39.71 85.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.434 -179.728 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.44 ' O ' HG13 ' A' ' 14' ' ' ILE . 16.3 m -65.95 -47.58 74.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.775 -179.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.58 HG22 ' O ' ' A' ' 8' ' ' PHE . 0.7 OUTLIER -68.31 -36.9 76.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.811 -179.442 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -70.12 -42.51 72.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.735 -179.426 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.529 HD12 ' C ' ' A' ' 14' ' ' ILE . 2.7 pp . . . . . 0 N--CA 1.45 -0.47 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.364 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.886 0.374 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.64 -42.5 98.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.753 ' O ' HG23 ' A' ' 31' ' ' VAL . 3.9 mp -60.87 -41.59 96.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.624 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.8 t -60.05 -46.6 94.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.783 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.33 -41.07 73.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.892 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.5 -46.17 80.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.812 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 27' ' ' LEU . 53.4 t -68.88 -35.83 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.794 0.33 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -61.17 -35.78 78.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 mt -60.71 -34.76 74.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.944 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.412 ' O ' HG12 ' A' ' 14' ' ' ILE . 47.9 t -62.16 -36.07 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.324 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 48.1 m -66.19 -49.16 68.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.472 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 m -63.76 -37.62 80.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.715 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -34.05 72.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.186 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 10' ' ' VAL . 18.8 mm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.927 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.849 0.356 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.26 -37.19 86.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.792 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.9 mp -60.95 -36.49 79.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.723 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -59.91 -49.54 83.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.81 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -70.32 -37.82 74.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.866 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -46.32 77.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 27' ' ' LEU . 59.6 t -66.06 -35.84 76.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.885 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.805 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.176 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.9 m -105.05 -67.21 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 60.43 -175.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.027 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.7 mtt -77.58 -47.13 20.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 104.04 49.51 1.07 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.587 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -144.09 20.94 1.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.717 0.294 . . . . 0.0 111.159 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.437 ' O ' HG12 ' A' ' 10' ' ' VAL . 17.6 mmt85 -71.18 -35.29 71.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.974 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -68.08 -36.22 79.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.026 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 9' ' ' LEU . 5.5 mt -66.03 -34.9 79.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.072 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.437 HG12 ' O ' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -60.89 -40.59 85.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.34 -179.661 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 m -64.55 -49.11 72.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.506 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.4 m -64.08 -38.97 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.437 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 ttt-85 -59.58 -34.1 72.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.129 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.4 mt -74.83 -32.08 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.035 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -71.96 -36.98 70.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.1 mtp-105 -59.71 -31.31 69.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.73 -14.83 31.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.498 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.37 -105.61 0.01 OUTLIER Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.612 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -88.58 145.59 35.6 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.608 0.242 . . . . 0.0 110.932 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -60.93 -64.36 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.555 2.17 . . . . 0.0 112.251 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.06 117.28 19.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.002 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -179.77 -38.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -60.78 -31.65 71.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.848 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.7 ' O ' HG23 ' A' ' 28' ' ' VAL . 2.3 mtt180 -59.96 -37.58 79.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.3 t -68.1 -37.43 78.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.046 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -66.66 -40.09 88.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.695 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.773 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -61.04 -38.14 85.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.608 179.734 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 24' ' ' ARG . 21.2 t -59.92 -48.13 88.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.808 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -70.25 -38.28 75.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.824 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -66.95 -46.15 75.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.752 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 27' ' ' LEU . 52.0 t -68.58 -35.89 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.975 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -31.21 65.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 92.2 p -134.46 73.11 1.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -89.83 117.89 29.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -153.9 136.43 9.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.824 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.28 175.97 9.24 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.477 2.118 . . . . 0.0 112.354 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -134.65 145.53 48.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.91 146.5 51.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.72 163.57 16.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.203 -0.904 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.22 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -163.99 65.61 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.909 0.385 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 59.75 32.36 21.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -107.57 173.17 6.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -140.28 130.4 4.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.463 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.548 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -98.71 -51.51 3.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 110.919 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -65.15 -47.98 75.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -62.41 -32.93 73.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 mt -63.36 -34.81 78.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 6' ' ' ARG . 53.4 t -59.94 -37.19 71.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.31 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 m -66.11 -49.05 68.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.283 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.4 m -68.07 -38.36 79.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.505 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -34.01 72.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.11 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.2 mt -77.52 -36.7 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.982 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.03 -31.27 66.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.951 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.98 -27.28 39.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.026 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.87 -17.13 60.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.459 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.94 118.21 8.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.405 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -124.41 77.71 61.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.752 0.311 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -61.44 -63.77 0.1 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.596 2.198 . . . . 0.0 112.184 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.49 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.2 OUTLIER -160.49 -43.12 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.031 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -56.54 -33.09 65.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -64.2 -43.49 94.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.831 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -65.19 -36.92 85.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.826 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 21' ' ' LEU . 28.9 t -65.72 -35.96 76.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.028 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -62.39 -39.8 94.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.801 ' O ' HG23 ' A' ' 31' ' ' VAL . 2.2 mm? -60.95 -37.01 80.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.571 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 32.5 t -59.94 -49.93 82.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.707 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -70.25 -35.47 73.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.811 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -68.23 -46.29 70.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.828 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 27' ' ' LEU . 46.5 t -69.03 -35.89 71.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.42 -31.5 72.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.9 m -87.63 174.3 8.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.782 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 58.52 28.73 17.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -139.83 135.14 16.38 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.704 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -61.49 -25.57 79.82 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.465 2.11 . . . . 0.0 112.196 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -77.29 126.32 30.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.15 -56.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 60.7 70.48 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.074 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.924 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.146 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -143.28 -54.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.839 0.352 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -172.27 -41.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.6 tpt 62.91 95.27 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -113.74 172.36 14.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.409 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -137.67 30.2 2.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.762 0.315 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -44.98 83.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.764 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -32.74 74.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.824 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.414 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 2.6 mt -57.73 -34.56 69.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.024 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.8 t -60.58 -41.83 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.442 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.0 m -66.19 -49.45 67.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.583 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.414 ' CG2' ' HA ' ' A' ' 9' ' ' LEU . 2.7 m -68.19 -36.98 77.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.48 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -59.64 -36.05 75.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.01 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.3 mt -78.01 -34.94 19.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.945 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -72.03 -41.66 67.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.4 mtm-85 -58.54 -27.41 64.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.98 -17.08 60.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.399 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 138.57 145.95 4.9 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.575 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 -128.41 90.33 47.11 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.725 0.298 . . . . 0.0 110.774 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -61.4 -66.35 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.608 2.205 . . . . 0.0 112.399 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 mt -117.78 -29.03 5.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.226 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -52.3 -27.65 16.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.232 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -62.78 -34.77 77.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.941 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -64.22 -37.74 88.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.063 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.2 t -68.07 -37.91 78.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.136 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -65.44 -35.99 82.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.708 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.81 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -61.03 -36.44 79.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.727 179.852 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.83 -49.86 82.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.805 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -36.89 74.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.859 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.87 -46.26 75.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.844 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 27' ' ' LEU . 59.7 t -66.06 -35.92 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.86 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.44 -30.68 67.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -109.58 172.18 7.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.12 162.66 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.77 117.05 67.27 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.33 111.78 3.01 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.455 2.104 . . . . 0.0 112.324 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -108.19 143.3 37.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -145.52 164.18 32.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -163.9 31.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.919 179.969 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.153 0 N-CA-C 112.575 -0.21 . . . . 0.0 112.575 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -116.54 143.07 46.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 110.977 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.8 t60 63.17 144.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.2 mmm -170.79 124.76 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -102.21 175.62 25.02 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.478 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -142.79 -51.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.491 ' O ' HG12 ' A' ' 10' ' ' VAL . 5.1 mtt180 -71.03 -48.06 55.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.824 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.2 -37.6 81.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.994 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 9' ' ' LEU . 8.7 mt -66.04 -35.01 79.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.187 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -57.15 -40.59 74.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.454 -179.708 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.1 m -65.55 -49.16 69.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.624 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 m -66.74 -38.7 82.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.722 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -34.54 72.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.205 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.3 mt -72.76 -32.12 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.01 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -65.02 -38.13 89.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.1 -9.73 59.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.412 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.3 13.03 16.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.594 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.9 117.88 3.55 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.414 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -146.62 92.28 5.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.67 0.272 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -59.77 -64.51 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.535 2.157 . . . . 0.0 112.178 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -61.18 118.66 7.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.839 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.15 -36.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -58.3 -34.47 70.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -60.51 -39.24 87.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 t -68.08 -35.95 73.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.124 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.87 -37.87 88.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.75 ' O ' HG23 ' A' ' 31' ' ' VAL . 2.8 mm? -60.97 -37.27 81.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.767 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.87 -47.71 90.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -70.14 -39.32 75.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.818 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.78 -46.19 76.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.762 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 27' ' ' LEU . 53.9 t -69.07 -35.72 70.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.983 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.93 -41.7 78.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.21 98.7 3.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.776 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -111.57 -34.66 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.31 76.98 1.13 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.129 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.99 156.0 38.53 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.603 2.202 . . . . 0.0 112.254 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -110.33 118.65 36.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.95 85.8 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 58.84 31.56 21.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.181 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.6 p . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.86 -179.938 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.74 36.75 19.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 0.0 110.86 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -163.21 93.66 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -129.75 130.78 45.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 136.19 151.36 6.08 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.497 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -77.37 150.89 35.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.792 0.329 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -60.26 -33.19 71.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.802 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.5 t80 -61.78 -44.64 96.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 mt -58.28 -34.73 70.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.9 t -66.13 -43.34 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.414 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.08 -49.16 68.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 111.423 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.802 HG22 ' O ' ' A' ' 8' ' ' PHE . 1.4 m -67.28 -36.62 77.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.567 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.6 -39.01 82.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.153 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.7 mm -73.21 -31.96 36.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.958 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -72.0 -36.88 69.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.48 -40.51 91.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.96 -17.05 27.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.439 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.15 -137.84 19.75 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.295 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.407 ' N ' ' HD3' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -138.27 65.55 42.75 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.814 0.34 . . . . 0.0 110.924 179.884 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.407 ' HD3' ' N ' ' A' ' 19' ' ' ARG . 17.0 Cg_exo -66.79 -65.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.675 2.25 . . . . 0.0 112.165 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.5 mt -78.18 110.97 13.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.989 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -167.23 -41.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -68.12 -40.95 82.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.516 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.406 ' O ' HG23 ' A' ' 28' ' ' VAL . 23.6 mtt85 -65.74 -36.87 84.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.576 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.33 -35.93 69.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.038 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -62.36 -41.76 98.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.785 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -60.98 -37.27 81.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.451 179.698 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 24' ' ' ARG . 21.7 t -59.86 -49.99 81.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.74 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -70.31 -36.62 74.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.801 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.86 -46.21 75.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.863 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' ' 27' ' ' LEU . 62.1 t -66.81 -35.87 75.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.967 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -43.94 97.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 m -90.53 102.29 15.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -136.95 131.91 33.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -147.96 83.72 7.23 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.54 -28.55 21.35 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.582 2.188 . . . . 0.0 112.348 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.6 123.78 32.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.51 140.57 58.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.89 -34.12 76.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.987 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.5 m . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.911 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.187 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.6 p -153.9 131.71 11.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.365 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -72.58 -177.82 2.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -47.45 85.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 83.7 155.88 21.57 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.446 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.577 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -163.4 -66.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.332 . . . . 0.0 110.906 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.5 mtt85 -62.36 -44.11 97.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.0 -36.16 76.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.815 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 9' ' ' LEU . 2.6 mt -66.04 -34.79 78.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.594 HG12 HD11 ' A' ' 14' ' ' ILE . 48.6 t -60.81 -33.83 56.82 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.353 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.8 m -61.72 -49.25 77.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.52 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.1 m -68.12 -38.15 79.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.482 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -59.55 -34.0 72.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.119 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.594 HD11 HG12 ' A' ' 10' ' ' VAL . 7.9 mt -74.8 -32.1 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.972 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.83 -37.4 73.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 62.7 mtm180 -80.01 -31.14 39.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.4 -17.1 60.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.427 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 166.02 -113.89 0.56 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.46 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -141.09 110.67 6.52 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 120.487 0.184 . . . . 0.0 110.838 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.4 ' HG3' HG22 ' A' ' 14' ' ' ILE . 30.7 Cg_exo -60.55 -64.54 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.433 2.089 . . . . 0.0 112.181 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.5 mt -85.01 116.26 23.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -179.06 -37.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.991 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.14 -39.43 94.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.591 ' O ' HG23 ' A' ' 28' ' ' VAL . 27.0 mtp180 -65.98 -38.79 89.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.2 t -68.15 -36.99 77.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.02 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.9 -39.66 90.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.751 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.761 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -61.0 -38.02 84.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.611 179.862 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 24' ' ' ARG . 19.6 t -60.37 -49.27 84.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.761 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -70.36 -38.52 74.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.902 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -65.72 -46.21 79.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.782 HG13 ' CG ' ' A' ' 36' ' ' PRO . 58.9 t -69.05 -36.44 73.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.998 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -71.16 -41.75 69.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.1 m -81.1 -34.35 32.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.028 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.52 133.74 55.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.32 113.32 27.38 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.782 ' CG ' HG13 ' A' ' 31' ' ' VAL . 52.0 Cg_exo -55.42 174.32 0.26 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.425 2.083 . . . . 0.0 112.335 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.401 ' HB3' ' NH1' ' A' ' 37' ' ' ARG . 1.3 ptp180 -110.84 -31.55 7.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.0 m -104.54 146.07 29.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.87 122.96 39.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.88 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 m -154.99 160.73 41.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -141.86 -176.74 4.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.771 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.58 141.02 47.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 154.8 -130.01 2.73 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.606 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.446 ' HD2' ' CZ ' ' A' ' 8' ' ' PHE . 6.2 mmt-85 -82.83 102.7 11.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 110.907 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.14 -48.03 54.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.286 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.446 ' CZ ' ' HD2' ' A' ' 6' ' ' ARG . 15.5 p90 -58.86 -32.87 69.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.146 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.425 ' N ' ' CD1' ' A' ' 8' ' ' PHE . 1.4 mt -60.14 -34.94 74.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.018 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.0 t -63.18 -40.96 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.587 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -49.06 69.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.324 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.4 m -62.98 -39.89 86.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.534 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -34.24 72.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.071 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.2 mt -77.99 -36.87 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.079 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.99 -44.04 64.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -69.0 -24.43 64.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.91 3.93 31.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.715 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -134.13 146.76 18.7 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.462 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.1 87.89 0.13 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.679 0.276 . . . . 0.0 110.975 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -61.23 -64.39 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.601 2.201 . . . . 0.0 112.139 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 77.1 mt -58.29 108.51 0.62 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.782 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -159.62 -42.45 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -52.63 -50.92 62.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 mtt-85 -63.12 -38.16 90.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.721 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.4 t -68.05 -35.91 73.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.075 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.45 -42.17 73.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.042 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.774 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -60.85 -38.84 86.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.599 179.814 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.99 -48.4 87.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.726 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.7 mttp -70.22 -39.36 75.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.867 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.429 ' CE1' ' HG3' ' A' ' 34' ' ' ARG . 1.3 t80 -65.81 -46.08 79.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.93 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.774 HG23 ' O ' ' A' ' 27' ' ' LEU . 59.6 t -68.12 -35.83 73.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.959 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -69.58 -41.85 75.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -166.18 156.95 12.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.429 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -135.64 116.76 14.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -159.33 139.75 8.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -85.15 12.55 3.04 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.724 2.283 . . . . 0.0 112.896 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -56.64 122.79 12.88 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.849 0.357 . . . . 0.0 111.014 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.402 HG23 ' N ' ' A' ' 39' ' ' ALA . 7.3 t -154.1 -46.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.402 ' N ' HG23 ' A' ' 38' ' ' THR . . . -136.32 -46.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.847 179.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.176 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.98 101.31 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.773 0.321 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.02 -48.65 3.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 6.7 mtt 60.32 106.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.76 -179.6 38.19 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.0 tpp180 -100.0 88.0 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.351 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -33.41 75.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -59.9 -39.87 86.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 9' ' ' LEU . 9.0 mt -60.49 -34.8 74.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.4 t -61.82 -39.81 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.401 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.512 ' HA ' HD12 ' A' ' 14' ' ' ILE . 0.2 OUTLIER -66.17 -49.27 67.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.402 -179.693 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.4 ' H ' HG22 ' A' ' 12' ' ' VAL . 3.1 m -68.11 -36.95 77.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.511 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -59.55 -33.88 71.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.173 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 11' ' ' THR . 9.8 mt -69.43 -35.67 68.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -29.53 64.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.796 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.76 -20.59 50.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.303 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.82 -17.08 60.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.399 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -119.4 45.93 1.19 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.36 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.3 mtm180 -137.93 157.63 72.82 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.704 0.288 . . . . 0.0 110.98 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -64.89 -55.66 0.48 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.646 2.231 . . . . 0.0 112.193 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 21' ' ' LEU . 3.6 mm? 65.49 11.73 7.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.509 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -133.52 -42.87 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.807 0.337 . . . . 0.0 111.067 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -56.73 -30.78 63.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -59.9 -37.41 79.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.79 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.5 t -68.09 -35.9 73.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.999 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.76 -35.84 81.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.779 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.796 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -60.86 -35.8 77.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.788 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.88 -49.84 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.018 0.437 . . . . 0.0 110.805 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -70.28 -36.13 74.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.791 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.7 -46.25 72.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.796 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 27' ' ' LEU . 48.4 t -69.02 -35.92 71.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.51 -31.15 69.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.852 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.0 m -78.2 62.2 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -153.91 65.6 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.9 tpt85 56.89 99.19 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -46.58 145.07 6.72 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.603 2.202 . . . . 0.0 112.562 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.98 124.13 19.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.8 p -123.5 92.9 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -142.11 155.55 45.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.073 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.2 p . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.935 179.958 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -130.58 93.51 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.79 0.329 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 44.7 t60 60.08 167.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.8 mtm -164.4 93.58 0.68 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.83 -86.99 0.31 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.752 ' HD2' HD12 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -88.98 138.77 31.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.806 0.336 . . . . 0.0 110.855 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.44 ' O ' HG12 ' A' ' 10' ' ' VAL . 20.8 ptt180 -71.06 -44.33 65.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.077 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.489 ' O ' HG23 ' A' ' 12' ' ' VAL . 25.0 m-85 -68.16 -40.9 82.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.17 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.752 HD12 ' HD2' ' A' ' 6' ' ' ARG . 1.8 mt -66.03 -41.37 91.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.359 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -56.91 -40.65 73.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.36 -179.653 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.8 m -63.9 -47.79 79.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.653 HG12 ' HD2' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -68.16 -37.24 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.014 -179.885 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.506 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -61.73 -40.58 95.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.984 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.0 mt -78.06 -33.04 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -72.05 -42.93 65.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.996 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.653 ' HD2' HG12 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -78.38 -44.32 25.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.048 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 13' ' ' ARG . . . -91.28 13.18 18.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.619 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -143.84 150.74 22.73 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.581 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -166.99 78.01 1.01 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 110.753 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -60.97 -66.46 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.599 2.2 . . . . 0.0 112.314 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 66.61 -72.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.864 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -94.95 -30.94 13.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.764 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -59.47 -30.26 68.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 -58.39 -37.04 74.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.8 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.6 t -66.77 -35.89 75.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.896 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.482 ' CE2' ' CE1' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -54.95 -40.03 69.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.053 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.797 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -60.91 -39.37 89.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.628 179.816 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -59.87 -48.38 87.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.636 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.28 -37.57 74.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.779 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.482 ' CE1' ' CE2' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -66.92 -46.23 75.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.781 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 27' ' ' LEU . 46.6 t -68.93 -35.86 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.933 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.7 mtp85 -58.1 -46.01 86.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.1 t -152.76 132.61 13.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.945 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -177.33 -40.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.431 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -157.57 63.62 2.9 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.895 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.431 ' HD3' ' N ' ' A' ' 35' ' ' ARG . 29.2 Cg_exo -61.85 124.81 15.21 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.58 2.187 . . . . 0.0 112.298 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.401 ' C ' ' HG1' ' A' ' 38' ' ' THR . 7.0 ttm180 61.12 114.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.977 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.401 ' HG1' ' C ' ' A' ' 37' ' ' ARG . 2.2 m -162.74 -47.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.35 -34.71 74.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 79.0 p . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.898 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 p 53.96 77.35 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.838 0.351 . . . . 0.0 111.066 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -105.82 -64.07 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 11.8 tpt -114.44 96.75 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.89 -114.62 0.15 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.452 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -151.66 24.42 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.741 0.305 . . . . 0.0 111.06 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.426 ' O ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -71.06 -39.22 72.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.901 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -68.03 -37.04 80.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 9' ' ' LEU . 8.3 mt -66.01 -34.9 79.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.106 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.426 HG12 ' O ' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -61.67 -40.23 85.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.364 -179.734 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.442 ' O ' HG13 ' A' ' 14' ' ' ILE . 5.0 m -65.43 -47.54 75.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.407 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.7 m -68.45 -39.93 81.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.682 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -63.45 -42.67 98.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.839 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 11' ' ' THR . 1.8 pp -78.25 -34.1 18.34 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-O 120.775 0.322 . . . . 0.0 111.297 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -72.17 -31.84 66.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -77.15 -20.99 54.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.199 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.93 -17.1 60.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.411 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.5 -127.4 8.01 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.494 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.9 mtt85 -123.01 79.46 51.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.749 0.309 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -66.22 -54.69 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.658 2.238 . . . . 0.0 112.129 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.96 115.43 4.4 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.968 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -178.61 -47.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -64.28 -36.62 84.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.691 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -66.11 -36.83 84.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.845 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.7 t -62.17 -35.88 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.108 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.83 -38.99 92.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.804 ' O ' HG23 ' A' ' 31' ' ' VAL . 5.3 mp -60.9 -36.49 79.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.659 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -59.98 -50.09 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.79 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -36.24 74.17 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.785 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.24 -46.26 74.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.827 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.804 HG23 ' O ' ' A' ' 27' ' ' LEU . 61.6 t -67.11 -35.93 75.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.941 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.7 -39.41 84.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.793 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 t -120.85 62.12 0.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.806 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.9 mtp-105 -71.49 164.22 26.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.42 103.96 25.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -48.95 110.46 0.35 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.523 2.148 . . . . 0.0 112.405 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 37.5 ttt-85 -119.7 -64.74 1.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.7 -50.77 10.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 65.47 -77.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.061 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.864 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -88.23 -48.33 7.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -66.58 87.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.87 155.62 18.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 136.15 -153.81 21.67 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.702 ' O ' HG23 ' A' ' 10' ' ' VAL . 24.2 ttt180 68.69 -67.4 0.21 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.782 0.325 . . . . 0.0 110.916 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 -69.78 -48.1 60.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.665 ' O ' HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -61.23 -33.0 72.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.758 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 9' ' ' LEU . 1.8 mt -65.63 -34.64 78.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.137 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 6' ' ' ARG . 44.5 t -67.15 -38.73 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.395 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.9 m -66.1 -49.3 68.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.54 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 8' ' ' PHE . 0.8 OUTLIER -66.43 -36.64 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.557 -179.696 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.63 -34.81 73.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.034 -179.765 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.1 mt -74.36 -35.33 39.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.917 0.389 . . . . 0.0 110.988 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -71.94 -38.74 69.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.802 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 26.7 mmt85 -80.05 -21.43 43.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.216 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.92 -17.12 60.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.528 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.65 -105.84 2.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.493 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.06 154.26 40.49 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.663 0.268 . . . . 0.0 110.999 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_exo -60.66 -65.17 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.496 2.131 . . . . 0.0 112.236 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -178.57 -68.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.967 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -132.73 7.56 4.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.51 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.37 -40.37 93.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.822 0.344 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.651 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -66.02 -36.95 84.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.18 -38.23 80.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -40.19 93.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.732 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.786 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.66 179.802 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 24' ' ' ARG . 28.4 t -59.93 -46.67 93.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.647 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -70.25 -41.31 73.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.778 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -46.21 83.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.804 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 27' ' ' LEU . 61.3 t -66.91 -35.97 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.018 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -70.74 -40.21 72.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.3 t -59.67 91.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.02 86.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -160.07 125.86 2.34 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.59 164.36 2.22 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.406 2.071 . . . . 0.0 112.249 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -161.53 31.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.41 -47.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -116.43 152.52 33.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.907 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 m -59.96 -173.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.804 0.335 . . . . 0.0 110.848 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -177.46 -39.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.6 mmm -101.64 137.06 40.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.996 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.24 86.11 0.24 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.318 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -172.07 -33.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.694 0.283 . . . . 0.0 111.209 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -58.64 -31.94 68.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.039 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.702 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.9 t80 -58.95 -39.79 82.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.675 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 mt -66.1 -34.49 78.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.783 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.1 t -65.06 -40.72 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.514 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -49.59 67.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.32 . . . . 0.0 111.338 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.702 HG22 ' O ' ' A' ' 8' ' ' PHE . 1.1 m -68.31 -36.85 76.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.35 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.4 ttp85 -59.81 -36.85 77.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.0 mt -73.1 -31.97 37.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.971 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -68.94 -29.55 67.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -79.46 -23.7 42.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.09 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.84 13.07 15.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.595 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -99.27 -97.58 2.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.4 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -147.62 105.58 3.73 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.587 0.232 . . . . 0.0 110.806 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -59.51 -66.83 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.356 2.037 . . . . 0.0 112.18 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 66.88 11.08 8.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.523 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -85.19 -35.47 21.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.334 . . . . 0.0 111.067 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -63.72 -34.02 76.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.454 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.8 OUTLIER -66.27 -36.88 84.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.881 179.854 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.1 t -61.81 -36.07 71.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.163 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -59.92 -44.04 94.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.805 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -60.93 -37.36 82.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.468 179.8 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 24' ' ' ARG . 21.1 t -59.96 -48.21 88.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.685 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -37.77 74.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.742 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -46.17 75.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.799 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 27' ' ' LEU . 59.7 t -66.04 -35.85 76.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -56.95 -31.01 64.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.788 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.0 t -108.03 175.37 5.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.699 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.42 -66.61 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.2 ttt85 -159.58 98.02 1.56 Allowed Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.959 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.8 -174.51 0.74 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.445 2.097 . . . . 0.0 112.239 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -38.62 90.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.403 HG23 ' N ' ' A' ' 39' ' ' ALA . 4.3 t -157.43 -48.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.403 ' N ' HG23 ' A' ' 38' ' ' THR . . . -144.73 169.22 18.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.927 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.233 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 m -114.74 65.65 0.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.876 0.369 . . . . 0.0 110.959 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 70.15 -63.95 0.38 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.8 mmt -48.77 135.56 14.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.237 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.4 45.77 0.57 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.478 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.55 ' O ' HG23 ' A' ' 10' ' ' VAL . 17.9 ttt85 -58.49 127.38 31.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 0.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -64.72 -41.15 96.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.807 ' O ' HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -57.97 -45.06 87.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.003 -179.9 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.426 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 1.2 mt -57.95 -34.67 70.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.068 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 6' ' ' ARG . 47.9 t -63.95 -46.54 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.694 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.07 -49.32 68.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.802 0.334 . . . . 0.0 111.826 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.807 HG22 ' O ' ' A' ' 8' ' ' PHE . 1.1 m -63.18 -36.51 76.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.733 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -33.93 71.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.242 -179.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.422 HG12 ' O ' ' A' ' 10' ' ' VAL . 34.1 mm -62.76 -40.62 89.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.925 0.393 . . . . 0.0 110.943 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.706 ' HG2' HD11 ' A' ' 27' ' ' LEU . 3.7 mp0 -72.08 -31.78 66.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.2 mtt-85 -64.97 -16.47 63.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.201 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.91 -17.08 60.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.428 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.75 170.29 12.17 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.49 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.73 97.71 46.24 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.595 0.236 . . . . 0.0 110.811 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -59.48 -65.32 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.462 2.108 . . . . 0.0 112.252 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 pp -178.22 -38.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.03 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.95 -31.19 25.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.962 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.68 -31.98 72.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.993 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -41.97 98.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.991 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.11 -35.91 73.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.123 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.71 -39.13 93.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.986 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.786 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.0 OUTLIER -60.88 -38.58 86.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.769 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.3 t -59.93 -48.11 89.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.792 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.29 -39.23 74.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.942 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -46.3 79.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 27' ' ' LEU . 60.9 t -66.62 -35.8 75.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -29.0 68.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 p -98.44 -35.71 10.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.054 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.25 77.45 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.34 113.06 9.96 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -72.67 61.63 3.66 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.428 2.085 . . . . 0.0 112.299 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -152.81 148.42 27.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.2 p -86.63 170.95 11.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.02 -178.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.8 p . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.927 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t 60.68 39.37 17.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -106.27 -26.92 11.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.005 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 37.2 mtp 64.84 155.53 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 145.09 -168.63 27.0 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.545 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.78 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.3 OUTLIER -93.65 47.47 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 110.846 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.5 ttt-85 -59.67 -38.67 82.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.029 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.799 ' O ' HG22 ' A' ' 12' ' ' VAL . 53.3 p90 -64.07 -45.06 90.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 9' ' ' LEU . 2.2 mt -62.11 -34.81 77.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 6' ' ' ARG . 46.6 t -68.21 -40.55 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.275 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -66.03 -49.23 68.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.302 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.799 HG22 ' O ' ' A' ' 8' ' ' PHE . 1.7 m -68.13 -37.0 77.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.461 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 mtp-105 -59.95 -40.4 88.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.067 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.5 mt -77.99 -32.0 17.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -68.0 -32.59 73.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -80.03 -32.85 39.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.0 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.38 -17.08 37.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.456 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.8 172.57 53.26 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.462 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.425 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 1.4 mtt85 -59.32 171.37 0.76 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.621 0.248 . . . . 0.0 110.709 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' A' ' 19' ' ' ARG . 28.0 Cg_exo -61.36 -65.15 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.462 2.108 . . . . 0.0 112.412 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.65 -40.8 0.55 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.469 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -45.95 -29.36 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.547 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -36.1 71.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.248 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -58.03 -41.04 82.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.344 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.02 -41.84 84.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.975 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -63.56 -35.75 81.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.626 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.829 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -60.81 -34.85 75.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.71 179.847 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.67 -49.82 82.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.744 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -70.34 -35.86 73.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.715 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.5 -46.18 73.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.846 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 27' ' ' LEU . 58.8 t -65.16 -35.92 76.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -63.43 -30.61 71.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.63 121.61 31.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -154.23 121.03 5.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.82 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.19 90.67 5.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.949 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -68.7 164.88 31.51 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.495 2.13 . . . . 0.0 112.325 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.24 62.53 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.1 p 56.64 -171.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -161.23 -47.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.052 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.1 p . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.9 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 112.534 -0.227 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.79 -41.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -88.0 88.12 7.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -98.63 150.99 21.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 157.01 137.16 2.25 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.469 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -100.4 -49.81 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -62.45 -37.77 87.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.785 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.3 m-85 -59.96 -38.12 81.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 9' ' ' LEU . 4.3 mt -58.67 -34.8 71.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.6 t -64.89 -43.86 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.485 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.04 -49.32 68.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.4 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.785 HG22 ' O ' ' A' ' 8' ' ' PHE . 1.3 m -68.16 -36.85 76.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.499 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 -59.79 -35.14 74.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.019 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.5 mt -78.02 -32.32 17.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.065 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -62.44 -37.55 86.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.969 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -25.41 65.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.89 -17.19 60.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.503 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -139.67 33.63 2.11 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.468 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.7 mtt-85 61.55 152.93 0.11 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.656 0.265 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -62.47 -66.91 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.554 2.169 . . . . 0.0 112.216 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.4 mp 61.02 -82.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.059 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -69.95 -36.01 74.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.932 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -63.25 -37.04 85.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.962 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.695 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.4 mtt180 -62.11 -36.88 83.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.9 t -58.18 -36.01 55.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.115 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -45.91 81.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.804 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -60.84 -36.41 79.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.529 179.817 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 24' ' ' ARG . 32.3 t -60.6 -47.43 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.124 0.487 . . . . 0.0 110.396 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.17 -42.67 68.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.783 179.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -46.6 88.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.104 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.804 HG22 ' O ' ' A' ' 27' ' ' LEU . 19.4 m -67.16 -43.59 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 CA-C-O 120.872 0.368 . . . . 0.0 111.119 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.436 ' N ' HG23 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -59.92 -39.62 86.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.816 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 t -84.36 77.53 9.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -138.11 -46.23 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -74.91 148.65 84.89 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.91 -61.65 0.45 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.591 2.194 . . . . 0.0 112.328 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -76.04 155.45 34.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.6 m -139.97 76.1 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.57 -69.12 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.2 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 p -76.08 157.23 33.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 61.2 32.63 19.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.1 ttp 60.67 158.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.82 -166.58 14.55 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.493 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? 63.11 124.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.864 0.364 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.96 -31.8 72.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -58.35 -36.95 74.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 mt -62.64 -34.91 78.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.802 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.5 t -63.9 -34.12 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.225 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.13 -47.56 73.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.304 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.9 m -68.02 -38.7 80.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.431 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -42.18 92.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.355 -179.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.0 pt -74.07 -31.9 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.317 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -63.85 -32.23 73.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.7 mtt-85 -78.37 -23.22 46.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.57 13.12 16.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.55 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -109.08 -120.1 4.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.4 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.59 86.55 7.31 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.708 0.29 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -62.73 -59.56 0.24 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.618 2.212 . . . . 0.0 112.105 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 66.77 -80.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -88.31 -33.58 17.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -58.98 -27.85 65.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.056 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.16 -43.57 91.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.087 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.9 t -67.99 -37.09 77.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.132 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -60.07 -35.84 76.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.025 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.798 ' O ' HG23 ' A' ' 31' ' ' VAL . 2.4 tp -60.8 -38.06 84.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.773 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.4 t -60.0 -50.69 79.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.776 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -35.83 74.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.818 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -66.78 -46.37 75.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 27' ' ' LEU . 62.0 t -66.17 -35.86 76.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.99 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.3 -38.41 78.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 97.2 p -101.75 85.38 2.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.84 172.15 13.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.78 99.79 44.23 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -67.0 126.59 15.43 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.417 2.078 . . . . 0.0 112.237 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.76 116.34 18.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.9 p -112.43 132.49 55.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.98 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.82 30.48 3.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.066 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 p -173.22 -177.66 1.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.841 0.353 . . . . 0.0 110.841 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -154.75 -46.31 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.08 42.8 1.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 142.19 172.86 13.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.21 27.59 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.746 0.308 . . . . 0.0 110.983 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -37.54 72.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.79 ' O ' HG22 ' A' ' 12' ' ' VAL . 18.1 m-85 -63.6 -39.48 94.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.41 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 1.2 mt -57.98 -34.54 70.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.108 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.9 t -66.97 -43.53 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.444 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.5 m -66.16 -49.29 67.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.626 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.79 HG22 ' O ' ' A' ' 8' ' ' PHE . 0.8 OUTLIER -61.98 -36.41 73.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.595 -179.625 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -33.95 71.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.257 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 28.6 mm -66.58 -32.02 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.795 0.331 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -68.16 -26.69 65.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -16.99 61.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.342 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.76 13.12 13.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.709 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.42 145.38 18.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.509 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? 60.6 66.42 1.83 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.788 0.328 . . . . 0.0 111.055 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.51 -65.23 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.651 2.234 . . . . 0.0 112.305 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.422 HD11 ' NH1' ' A' ' 24' ' ' ARG . 2.7 tp -102.8 -26.87 12.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.022 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -59.62 -19.22 47.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.333 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.01 -30.81 71.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.707 0.289 . . . . 0.0 111.16 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.422 ' NH1' HD11 ' A' ' 21' ' ' LEU . 40.0 mtp180 -66.14 -45.51 80.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.378 . . . . 0.0 111.35 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.0 m -68.44 -40.92 82.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.251 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -58.66 -35.92 73.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.038 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.772 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -60.65 -39.42 88.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.8 -179.892 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.7 t -60.13 -50.21 81.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.749 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -70.28 -37.8 74.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.0 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.441 ' CD1' ' HD3' ' A' ' 34' ' ' ARG . 2.5 m-85 -65.76 -46.33 79.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.976 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 27' ' ' LEU . 47.5 t -69.22 -35.87 70.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.045 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -70.14 -37.03 75.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.103 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.4 p -112.72 -166.72 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.055 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.441 ' HD3' ' CD1' ' A' ' 30' ' ' PHE . 0.6 OUTLIER 61.25 -179.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.979 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.1 ttm-85 57.41 72.43 0.93 Allowed Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.96 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -73.5 132.79 18.02 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.608 2.205 . . . . 0.0 112.253 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -166.18 -66.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.22 156.66 16.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.85 -177.49 5.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.7 m . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.893 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.155 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 t 60.3 82.45 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.2 p-80 -99.45 136.71 39.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 14.2 ttt -107.0 128.89 54.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -105.15 -170.76 24.08 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -111.67 103.42 11.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.372 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.8 ttm-85 -68.53 -36.55 79.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.907 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -60.66 -39.89 90.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.93 -35.81 71.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.116 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.0 t -69.25 -44.14 80.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.431 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.2 m -66.1 -49.19 68.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.526 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.907 HG22 ' O ' ' A' ' 8' ' ' PHE . 2.6 m -61.4 -38.41 79.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.376 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -35.52 75.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.7 mt -78.03 -33.85 18.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.045 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -72.01 -31.52 66.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.828 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.8 mtt-85 -79.44 -26.03 41.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.96 -17.14 60.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.332 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.62 -52.4 7.33 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.318 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -105.12 154.55 38.72 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.65 0.262 . . . . 0.0 110.78 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.2 -68.1 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.444 2.096 . . . . 0.0 112.231 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 65.78 10.86 7.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.539 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -77.02 -25.08 52.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.697 0.284 . . . . 0.0 111.071 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -53.94 -38.53 65.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.411 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -66.0 -36.97 84.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.59 -36.01 76.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.136 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.23 -42.31 94.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.781 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.5 tp -60.91 -38.13 84.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.6 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 24' ' ' ARG . 21.2 t -59.96 -47.76 90.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.741 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -70.29 -38.56 75.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.814 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.87 -46.13 75.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.791 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 27' ' ' LEU . 52.2 t -68.71 -35.83 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 -58.67 -45.97 88.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.0 t -139.84 123.03 16.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.31 -39.72 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.272 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -95.54 109.64 46.69 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.832 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -57.08 166.0 4.61 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.444 2.096 . . . . 0.0 112.216 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.19 173.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.1 t 43.17 75.6 0.09 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.445 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -148.19 -69.23 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.5 p . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.893 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.142 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -134.07 88.46 2.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.891 0.377 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 43.1 p-80 -60.57 147.35 41.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.0 mtt -81.16 -36.21 30.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -148.92 -50.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.551 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -145.25 160.84 40.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.898 0.38 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.417 ' O ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -62.6 -48.03 81.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.58 ' O ' HG22 ' A' ' 12' ' ' VAL . 14.3 m-85 -65.39 -33.36 75.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.819 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 9' ' ' LEU . 1.5 mt -60.88 -34.64 74.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.014 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.51 ' O ' HG23 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -66.08 -39.71 85.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.434 -179.728 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.44 ' O ' HG13 ' A' ' 14' ' ' ILE . 16.3 m -65.95 -47.58 74.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.775 -179.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.58 HG22 ' O ' ' A' ' 8' ' ' PHE . 0.7 OUTLIER -68.31 -36.9 76.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.811 -179.442 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -70.12 -42.51 72.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.735 -179.426 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.768 HD12 ' N ' ' A' ' 15' ' ' GLN . 2.7 pp -71.67 -31.9 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.364 -179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.768 ' N ' HD12 ' A' ' 14' ' ' ILE . 2.3 mt-30 -63.36 -29.62 70.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -59.44 -30.82 68.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.34 13.04 18.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.48 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -84.62 -99.57 0.64 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.441 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.59 74.95 11.34 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -61.57 -63.4 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.652 2.234 . . . . 0.0 112.207 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 68.94 -69.55 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -110.61 -30.86 7.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.959 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -61.07 -34.59 75.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.6 ' O ' HG23 ' A' ' 28' ' ' VAL . 11.6 mtt-85 -64.27 -43.22 95.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.07 -36.06 73.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.2 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.64 -42.5 98.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.753 ' O ' HG23 ' A' ' 31' ' ' VAL . 3.9 mp -60.87 -41.59 96.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.624 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 24' ' ' ARG . 20.8 t -60.05 -46.6 94.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.783 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.33 -41.07 73.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.892 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.5 -46.17 80.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.812 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 27' ' ' LEU . 53.4 t -68.88 -35.83 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -30.59 71.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.7 m -92.22 -33.32 14.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.96 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -119.16 89.28 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.83 112.86 15.81 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.18 -36.56 93.49 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.42 2.08 . . . . 0.0 112.299 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -96.47 105.76 17.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.97 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.2 p 55.11 -168.84 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 61.52 36.83 16.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.089 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.924 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 t -171.25 119.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.341 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -113.95 -169.53 1.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 7.1 ttp -82.44 112.39 19.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 165.91 -147.08 11.71 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.51 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.82 32.04 2.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -68.36 -41.34 80.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -61.17 -35.78 78.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 mt -60.71 -34.76 74.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.944 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.412 ' O ' HG12 ' A' ' 14' ' ' ILE . 47.9 t -62.16 -36.07 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.324 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 48.1 m -66.19 -49.16 68.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.472 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 m -63.76 -37.62 80.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.715 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -34.05 72.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.186 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 10' ' ' VAL . 18.8 mm -72.57 -31.92 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.927 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -59.79 -31.93 70.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -76.55 -28.22 56.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.94 -17.08 60.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.418 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.64 -161.37 21.21 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.483 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 58.4 mtm-85 -78.89 163.64 59.42 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.763 0.316 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -61.08 -66.14 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.625 2.216 . . . . 0.0 112.218 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER 68.53 9.94 7.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.472 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -116.16 -2.62 12.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.416 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 24' ' ' ARG . 5.5 pm0 -56.7 -31.68 64.71 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.822 0.344 . . . . 0.0 111.083 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.411 ' N ' ' HG2' ' A' ' 23' ' ' GLU . 12.2 mtp85 -64.06 -44.93 90.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 t -68.08 -36.02 73.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.131 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.26 -37.19 86.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.792 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.9 mp -60.95 -36.49 79.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.723 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -59.91 -49.54 83.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.81 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -70.32 -37.82 74.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.866 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -46.32 77.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 27' ' ' LEU . 59.6 t -66.06 -35.84 76.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.885 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -32.09 72.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.805 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.0 t -140.01 105.31 5.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.0 mtt-85 -85.73 -79.0 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -120.8 121.19 29.09 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.944 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.03 -26.7 51.1 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.484 2.123 . . . . 0.0 112.32 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.26 152.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.838 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.424 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 91.0 m -91.13 -80.72 0.33 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 38' ' ' THR . . . 177.42 -73.71 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.82 0.343 . . . . 0.0 111.052 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.0 t . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.205 -0.903 . . . . 0.0 110.949 -179.994 . . . . . . . . 0 0 . 1 stop_ save_